WebMO Job Summary

391139: H68O34 chunk of ice (crystal), Natural Bond Orbitals - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) EmpiricalDispersion=GD3BJ
Method B3LYP
Stoichiometry H68O34
Symmetry CS
Basis 6-311+G(2d,p)
RB3LYP Energy -2598.88360341 Hartree
Dipole Moment 39.9104 Debye
Server class (392717)
CPU time 4292.3 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 0.0636979 0.00212473324
b 0.0361155 0.00120468341
c 0.0316300 0.00105506323

Partial Charges

Atom Symbol Charge
1 O -0.587381  
2 H 0.350987  
3 H 0.250815  
4 O -0.542222  
5 H 0.239801  
6 H 0.284301  
7 O -0.542222  
8 H 0.239801  
9 H 0.284301  
10 O -0.682660  
11 H 0.340784  
12 H 0.375887  
13 O -0.579184  
14 H 0.275659  
15 H 0.275659  
16 O -0.826090  
17 H 0.411862  
18 H 0.411862  
19 H 0.275552  
20 O -0.568445  
21 H 0.269660  
22 H 0.275552  
23 O -0.568445  
24 H 0.269660  
25 H 0.411059  
26 O -0.799023  
27 H 0.399759  
28 H 0.411059  
29 O -0.799023  
30 H 0.399759  
31 O -0.613361  
32 H 0.353843  
33 H 0.275071  
34 O -0.602992  
35 H 0.265216  
36 H 0.355052  
37 O -0.766819  
38 H 0.380107  
39 H 0.389461  
40 O -0.689118  
41 H 0.341202  
42 H 0.367369  
43 O -0.580071  
44 H 0.287686  
45 H 0.273077  
46 O -0.687624  
47 H 0.270465  
48 H 0.394422  
49 H 0.283171  
50 O -0.585490  
51 H 0.282980  
52 H 0.406333  
53 O -0.817234  
54 H 0.414389  
55 O -0.613361  
56 H 0.353843  
57 H 0.275071  
58 O -0.602992  
59 H 0.355052  
60 H 0.265216  
61 O -0.766819  
62 H 0.380107  
63 H 0.389461  
64 O -0.689118  
65 H 0.341202  
66 H 0.367369  
67 O -0.580071  
68 H 0.287686  
69 H 0.273077  
70 O -0.687624  
71 H 0.394422  
72 H 0.270465  
73 H 0.283171  
74 O -0.585490  
75 H 0.282980  
76 H 0.406333  
77 O -0.817234  
78 H 0.414389  
79 O -0.592420  
80 H 0.348811  
81 H 0.261363  
82 O -0.592420  
83 H 0.348811  
84 H 0.261363  
85 O -0.601239  
86 H 0.344177  
87 H 0.281354  
88 O -0.692750  
89 H 0.342559  
90 H 0.368711  
91 O -0.692750  
92 H 0.342559  
93 H 0.368711  
94 O -0.778851  
95 H 0.380638  
96 H 0.392259  
97 O -0.564652  
98 H 0.273895  
99 H 0.273895  
100 O -0.580413  
101 H 0.276521  
102 H 0.276521  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -19.18628
2 - 2 - -19.18627
3 - 2 - -19.18531
4 - 2 - -19.1731
5 - 2 - -19.17054
6 - 2 - -19.17054
7 - 2 - -19.16328
8 - 2 - -19.16301
9 - 2 - -19.16301
10 - 2 - -19.13812
11 - 2 - -19.13812
12 - 2 - -19.12549
13 - 2 - -19.11699
14 - 2 - -19.11699
15 - 2 - -19.11192
16 - 2 - -19.11191
17 - 2 - -19.09475
18 - 2 - -19.09475
19 - 2 - -19.09371
20 - 2 - -19.09371
21 - 2 - -19.09359
22 - 2 - -19.09359
23 - 2 - -19.08874
24 - 2 - -19.08846
25 - 2 - -19.08846
26 - 2 - -19.07281
27 - 2 - -19.06171
28 - 2 - -19.05567
29 - 2 - -19.05567
30 - 2 - -19.04375
31 - 2 - -19.04375
32 - 2 - -19.03986
33 - 2 - -19.03848
34 - 2 - -19.03848
35 - 2 - -1.13491
36 - 2 - -1.13472
37 - 2 - -1.13405
38 - 2 - -1.12123
39 - 2 - -1.11847
40 - 2 - -1.11847
41 - 2 - -1.11354
42 - 2 - -1.1113
43 - 2 - -1.1113
44 - 2 - -1.10708
45 - 2 - -1.10707
46 - 2 - -1.0967
47 - 2 - -1.08577
48 - 2 - -1.08488
49 - 2 - -1.07274
50 - 2 - -1.07274
51 - 2 - -1.06366
52 - 2 - -1.0636
53 - 2 - -1.05779
54 - 2 - -1.05779
55 - 2 - -1.04709
56 - 2 - -1.04601
57 - 2 - -1.04527
58 - 2 - -1.0435
59 - 2 - -1.0434
60 - 2 - -1.03693
61 - 2 - -1.03019
62 - 2 - -1.02347
63 - 2 - -1.02347
64 - 2 - -1.01104
65 - 2 - -1.01104
66 - 2 - -1.00802
67 - 2 - -1.00673
68 - 2 - -1.00672
69 - 2 - -0.66151
70 - 2 - -0.66105
71 - 2 - -0.6597
72 - 2 - -0.64849
73 - 2 - -0.64505
74 - 2 - -0.64504
75 - 2 - -0.63794
76 - 2 - -0.63794
77 - 2 - -0.63721
78 - 2 - -0.62526
79 - 2 - -0.62526
80 - 2 - -0.62032
81 - 2 - -0.60568
82 - 2 - -0.60559
83 - 2 - -0.59499
84 - 2 - -0.59499
85 - 2 - -0.58732
86 - 2 - -0.5873
87 - 2 - -0.58371
88 - 2 - -0.58371
89 - 2 - -0.5784
90 - 2 - -0.57792
91 - 2 - -0.57589
92 - 2 - -0.57583
93 - 2 - -0.57208
94 - 2 - -0.56845
95 - 2 - -0.55466
96 - 2 - -0.54735
97 - 2 - -0.54735
98 - 2 - -0.53469
99 - 2 - -0.53469
100 - 2 - -0.53198
101 - 2 - -0.53056
102 - 2 - -0.53042
103 - 2 - -0.47646
104 - 2 - -0.4735
105 - 2 - -0.47282
106 - 2 - -0.45977
107 - 2 - -0.45926
108 - 2 - -0.45916
109 - 2 - -0.45332
110 - 2 - -0.45158
111 - 2 - -0.45158
112 - 2 - -0.44001
113 - 2 - -0.43764
114 - 2 - -0.43689
115 - 2 - -0.42769
116 - 2 - -0.42547
117 - 2 - -0.42113
118 - 2 - -0.42071
119 - 2 - -0.40606
120 - 2 - -0.40494
121 - 2 - -0.40203
122 - 2 - -0.40128
123 - 2 - -0.40082
124 - 2 - -0.3979
125 - 2 - -0.39674
126 - 2 - -0.39449
127 - 2 - -0.39059
128 - 2 - -0.3898
129 - 2 - -0.38632
130 - 2 - -0.38555
131 - 2 - -0.38215
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133 - 2 - -0.38148
134 - 2 - -0.37701
135 - 2 - -0.37431
136 - 2 - -0.37428
137 - 2 - -0.36915
138 - 2 - -0.35948
139 - 2 - -0.35945
140 - 2 - -0.35519
141 - 2 - -0.35309
142 - 2 - -0.35233
143 - 2 - -0.35229
144 - 2 - -0.34442
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148 - 2 - -0.33533
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151 - 2 - -0.33397
152 - 2 - -0.33273
153 - 2 - -0.32424
154 - 2 - -0.32423
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157 - 2 - -0.31657
158 - 2 - -0.3145
159 - 2 - -0.31436
160 - 2 - -0.31435
161 - 2 - -0.31011
162 - 2 - -0.30315
163 - 2 - -0.28688
164 - 2 - -0.28111
165 - 2 - -0.2811
166 - 2 - -0.26982
167 - 2 - -0.26957
168 - 2 - -0.26499
169 - 2 - -0.26415
170 - 2 - -0.26291
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172 - 0 - -0.04266
173 - 0 - -0.03932
174 - 0 - -0.02489
175 - 0 - -0.01342
176 - 0 - -0.01231
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180 - 0 - 0.01092
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182 - 0 - 0.02771
183 - 0 - 0.03071
184 - 0 - 0.0412
185 - 0 - 0.04182
186 - 0 - 0.0421
187 - 0 - 0.05136
188 - 0 - 0.05284
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191 - 0 - 0.06183
192 - 0 - 0.06594
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236 - 0 - 0.16528
237 - 0 - 0.16658
238 - 0 - 0.16731
239 - 0 - 0.16843
240 - 0 - 0.17032
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242 - 0 - 0.17434
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244 - 0 - 0.17771
245 - 0 - 0.17862
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248 - 0 - 0.18542
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250 - 0 - 0.18856
251 - 0 - 0.19219
252 - 0 - 0.19698
253 - 0 - 0.19934
254 - 0 - 0.19956
255 - 0 - 0.20079
256 - 0 - 0.20573
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260 - 0 - 0.21166
261 - 0 - 0.21492
262 - 0 - 0.2176
263 - 0 - 0.21894
264 - 0 - 0.22357
265 - 0 - 0.2238
266 - 0 - 0.22654
267 - 0 - 0.22743
268 - 0 - 0.22792
269 - 0 - 0.2321
270 - 0 - 0.23274
271 - 0 - 0.23297
272 - 0 - 0.23498
273 - 0 - 0.23601
274 - 0 - 0.2387
275 - 0 - 0.23989
276 - 0 - 0.24172
277 - 0 - 0.24258
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279 - 0 - 0.24593
280 - 0 - 0.24658
281 - 0 - 0.2526
282 - 0 - 0.25408
283 - 0 - 0.25505
284 - 0 - 0.25906
285 - 0 - 0.25927
286 - 0 - 0.26244
287 - 0 - 0.26599
288 - 0 - 0.26663
289 - 0 - 0.26866
290 - 0 - 0.26912
291 - 0 - 0.27191
292 - 0 - 0.27412
293 - 0 - 0.27522
294 - 0 - 0.27524
295 - 0 - 0.27773
296 - 0 - 0.27887
297 - 0 - 0.28055
298 - 0 - 0.2834
299 - 0 - 0.28565
300 - 0 - 0.28624
301 - 0 - 0.29408
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395 - 0 - 0.62638
396 - 0 - 0.628
397 - 0 - 0.62919
398 - 0 - 0.63176
399 - 0 - 0.63566
400 - 0 - 0.64021
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670 - 0 - 1.51469
671 - 0 - 1.537
672 - 0 - 1.54985
673 - 0 - 1.54999
674 - 0 - 1.55865
675 - 0 - 1.56431
676 - 0 - 1.56474
677 - 0 - 1.56931
678 - 0 - 1.62158
679 - 0 - 1.62314
680 - 0 - 1.62485
681 - 0 - 1.62694
682 - 0 - 1.62915
683 - 0 - 1.63786
684 - 0 - 1.64168
685 - 0 - 1.64312
686 - 0 - 1.64523
687 - 0 - 1.65064
688 - 0 - 1.65154
689 - 0 - 1.65875
690 - 0 - 1.66069
691 - 0 - 1.66602
692 - 0 - 1.67769
693 - 0 - 1.68201
694 - 0 - 1.68879
695 - 0 - 1.6924
696 - 0 - 1.6933
697 - 0 - 1.69771
698 - 0 - 1.69826
699 - 0 - 1.70156
700 - 0 - 1.70954
701 - 0 - 1.71112
702 - 0 - 1.71574
703 - 0 - 1.72092
704 - 0 - 1.7231
705 - 0 - 1.72905
706 - 0 - 1.72918
707 - 0 - 1.73969
708 - 0 - 1.74092
709 - 0 - 1.7445
710 - 0 - 1.74815
711 - 0 - 1.75017
712 - 0 - 1.75382
713 - 0 - 1.7561
714 - 0 - 1.76026
715 - 0 - 1.7605
716 - 0 - 1.76277
717 - 0 - 1.77706
718 - 0 - 1.77915
719 - 0 - 1.78346
720 - 0 - 1.78403
721 - 0 - 1.78629
722 - 0 - 1.78713
723 - 0 - 1.79048
724 - 0 - 1.7926
725 - 0 - 1.79684
726 - 0 - 1.80279
727 - 0 - 1.8102
728 - 0 - 1.81644
729 - 0 - 1.82276
730 - 0 - 1.82333
731 - 0 - 1.83351
732 - 0 - 1.84182
733 - 0 - 1.84499
734 - 0 - 1.84897
735 - 0 - 1.8558
736 - 0 - 1.85959
737 - 0 - 1.86524
738 - 0 - 1.87548
739 - 0 - 1.88217
740 - 0 - 1.88278
741 - 0 - 1.8829
742 - 0 - 1.88882
743 - 0 - 1.89039
744 - 0 - 1.89353
745 - 0 - 1.89871
746 - 0 - 1.90002
747 - 0 - 1.95632
748 - 0 - 1.96579
749 - 0 - 1.97276
750 - 0 - 1.97365
751 - 0 - 1.98141
752 - 0 - 1.98784
753 - 0 - 1.98864
754 - 0 - 1.99335
755 - 0 - 1.99377
756 - 0 - 1.99672
757 - 0 - 2.00946
758 - 0 - 2.01203
759 - 0 - 2.01985
760 - 0 - 2.02013
761 - 0 - 2.02203
762 - 0 - 2.02463
763 - 0 - 2.02971
764 - 0 - 2.03104
765 - 0 - 2.03148
766 - 0 - 2.03293
767 - 0 - 2.03363
768 - 0 - 2.03641
769 - 0 - 2.03736
770 - 0 - 2.03783
771 - 0 - 2.03822
772 - 0 - 2.03976
773 - 0 - 2.04115
774 - 0 - 2.04538
775 - 0 - 2.04657
776 - 0 - 2.0484
777 - 0 - 2.05013
778 - 0 - 2.05327
779 - 0 - 2.05739
780 - 0 - 2.05746
781 - 0 - 2.06041
782 - 0 - 2.0606
783 - 0 - 2.06634
784 - 0 - 2.07303
785 - 0 - 2.07904
786 - 0 - 2.07921
787 - 0 - 2.08487
788 - 0 - 2.08726
789 - 0 - 2.08812
790 - 0 - 2.08855
791 - 0 - 2.09308
792 - 0 - 2.09811
793 - 0 - 2.10159
794 - 0 - 2.10439
795 - 0 - 2.1068
796 - 0 - 2.10857
797 - 0 - 2.11647
798 - 0 - 2.12049
799 - 0 - 2.1238
800 - 0 - 2.14399
801 - 0 - 2.1464
802 - 0 - 2.14805
803 - 0 - 2.15085
804 - 0 - 2.16089
805 - 0 - 2.1625
806 - 0 - 2.16817
807 - 0 - 2.16831
808 - 0 - 2.17117
809 - 0 - 2.17161
810 - 0 - 2.17309
811 - 0 - 2.17695
812 - 0 - 2.17706
813 - 0 - 2.17818
814 - 0 - 2.17995
815 - 0 - 2.18108
816 - 0 - 2.18222
817 - 0 - 2.18371
818 - 0 - 2.18919
819 - 0 - 2.18928
820 - 0 - 2.19261
821 - 0 - 2.19565
822 - 0 - 2.1966
823 - 0 - 2.20664
824 - 0 - 2.21549
825 - 0 - 2.21844
826 - 0 - 2.22261
827 - 0 - 2.22348
828 - 0 - 2.23419
829 - 0 - 2.24895
830 - 0 - 2.24949
831 - 0 - 2.25821
832 - 0 - 2.2628
833 - 0 - 2.26865
834 - 0 - 2.27768
835 - 0 - 2.27799
836 - 0 - 2.28171
837 - 0 - 2.2845
838 - 0 - 2.28789
839 - 0 - 2.29207
840 - 0 - 2.29705
841 - 0 - 2.32934
842 - 0 - 2.32964
843 - 0 - 2.34291
844 - 0 - 2.3491
845 - 0 - 2.35143
846 - 0 - 2.35353
847 - 0 - 2.35526
848 - 0 - 2.36038
849 - 0 - 2.36195
850 - 0 - 2.36302
851 - 0 - 2.37463
852 - 0 - 2.38223
853 - 0 - 2.38587
854 - 0 - 2.39142
855 - 0 - 2.39256
856 - 0 - 2.39291
857 - 0 - 2.42214
858 - 0 - 2.43087
859 - 0 - 2.44599
860 - 0 - 2.45031
861 - 0 - 2.45448
862 - 0 - 2.47094
863 - 0 - 2.47253
864 - 0 - 2.47572
865 - 0 - 2.49959
866 - 0 - 2.49966
867 - 0 - 2.50036
868 - 0 - 2.50484
869 - 0 - 2.50496
870 - 0 - 2.50842
871 - 0 - 2.51136
872 - 0 - 2.51193
873 - 0 - 2.51467
874 - 0 - 2.51541
875 - 0 - 2.51801
876 - 0 - 2.52068
877 - 0 - 2.52426
878 - 0 - 2.52603
879 - 0 - 2.52774
880 - 0 - 2.52817
881 - 0 - 2.53127
882 - 0 - 2.53319
883 - 0 - 2.53661
884 - 0 - 2.53676
885 - 0 - 2.53986
886 - 0 - 2.5427
887 - 0 - 2.54374
888 - 0 - 2.54597
889 - 0 - 2.54706
890 - 0 - 2.54967
891 - 0 - 2.55385
892 - 0 - 2.55836
893 - 0 - 2.5596
894 - 0 - 2.57599
895 - 0 - 2.58457
896 - 0 - 2.58786
897 - 0 - 2.59096
898 - 0 - 2.59573
899 - 0 - 2.59914
900 - 0 - 2.60118
901 - 0 - 2.6052
902 - 0 - 2.60639
903 - 0 - 2.61081
904 - 0 - 2.62059
905 - 0 - 2.62151
906 - 0 - 2.62804
907 - 0 - 2.63197
908 - 0 - 2.63233
909 - 0 - 2.63575
910 - 0 - 2.64026
911 - 0 - 2.64031
912 - 0 - 2.6419
913 - 0 - 2.64307
914 - 0 - 2.65019
915 - 0 - 2.65101
916 - 0 - 2.65461
917 - 0 - 2.65749
918 - 0 - 2.66228
919 - 0 - 2.66369
920 - 0 - 2.66719
921 - 0 - 2.66818
922 - 0 - 2.67527
923 - 0 - 2.6777
924 - 0 - 2.68018
925 - 0 - 2.68207
926 - 0 - 2.68292
927 - 0 - 2.688
928 - 0 - 2.68918
929 - 0 - 2.6951
930 - 0 - 2.69711
931 - 0 - 2.70715
932 - 0 - 2.71426
933 - 0 - 2.7177
934 - 0 - 2.72211
935 - 0 - 2.72611
936 - 0 - 2.72756
937 - 0 - 2.74097
938 - 0 - 2.74392
939 - 0 - 2.74593
940 - 0 - 2.75041
941 - 0 - 2.7527
942 - 0 - 2.75958
943 - 0 - 2.77736
944 - 0 - 2.7807
945 - 0 - 2.78104
946 - 0 - 2.78499
947 - 0 - 2.79551
948 - 0 - 2.79972
949 - 0 - 2.80167
950 - 0 - 2.81353
951 - 0 - 2.81622
952 - 0 - 2.82558
953 - 0 - 3.01097
954 - 0 - 3.02831
955 - 0 - 3.03323
956 - 0 - 3.03374
957 - 0 - 3.03898
958 - 0 - 3.03902
959 - 0 - 3.05314
960 - 0 - 3.05818
961 - 0 - 3.06606
962 - 0 - 3.10672
963 - 0 - 3.12555
964 - 0 - 3.131
965 - 0 - 3.13671
966 - 0 - 3.14174
967 - 0 - 3.14554
968 - 0 - 3.14752
969 - 0 - 3.1485
970 - 0 - 3.15842
971 - 0 - 3.1668
972 - 0 - 3.16749
973 - 0 - 3.17346
974 - 0 - 3.18078
975 - 0 - 3.1882
976 - 0 - 3.19239
977 - 0 - 3.19802
978 - 0 - 3.20646
979 - 0 - 3.2081
980 - 0 - 3.20957
981 - 0 - 3.21537
982 - 0 - 3.22028
983 - 0 - 3.22941
984 - 0 - 3.23634
985 - 0 - 3.24646
986 - 0 - 3.25499
987 - 0 - 3.25534
988 - 0 - 3.26143
989 - 0 - 3.26266
990 - 0 - 3.27255
991 - 0 - 3.27721
992 - 0 - 3.29407
993 - 0 - 3.3102
994 - 0 - 3.31045
995 - 0 - 3.31505
996 - 0 - 3.31663
997 - 0 - 3.33705
998 - 0 - 3.34119
999 - 0 - 3.35087
1000 - 0 - 3.36979
1001 - 0 - 3.36989
1002 - 0 - 3.4176
1003 - 0 - 3.42353
1004 - 0 - 3.43402
1005 - 0 - 3.43808
1006 - 0 - 3.44525
1007 - 0 - 3.45275
1008 - 0 - 3.45652
1009 - 0 - 3.45743
1010 - 0 - 3.45871
1011 - 0 - 3.46583
1012 - 0 - 3.46594
1013 - 0 - 3.4705
1014 - 0 - 3.47595
1015 - 0 - 3.47739
1016 - 0 - 3.49873
1017 - 0 - 3.50734
1018 - 0 - 3.52573
1019 - 0 - 3.53124
1020 - 0 - 3.53563
1021 - 0 - 4.93903
1022 - 0 - 4.95456
1023 - 0 - 4.95521
1024 - 0 - 4.97303
1025 - 0 - 4.97949
1026 - 0 - 4.98417
1027 - 0 - 4.98906
1028 - 0 - 4.99226
1029 - 0 - 4.99767
1030 - 0 - 4.99866
1031 - 0 - 5.01155
1032 - 0 - 5.03812
1033 - 0 - 5.04048
1034 - 0 - 5.04915
1035 - 0 - 5.05589
1036 - 0 - 5.05883
1037 - 0 - 5.06103
1038 - 0 - 5.06162
1039 - 0 - 5.06695
1040 - 0 - 5.08773
1041 - 0 - 5.09293
1042 - 0 - 5.0936
1043 - 0 - 5.09833
1044 - 0 - 5.09885
1045 - 0 - 5.10402
1046 - 0 - 5.10799
1047 - 0 - 5.13428
1048 - 0 - 5.13905
1049 - 0 - 5.14514
1050 - 0 - 5.14745
1051 - 0 - 5.16574
1052 - 0 - 5.17709
1053 - 0 - 5.20263
1054 - 0 - 5.21149
1055 - 0 - 5.45854
1056 - 0 - 5.46989
1057 - 0 - 5.47717
1058 - 0 - 5.47942
1059 - 0 - 5.48025
1060 - 0 - 5.48224
1061 - 0 - 5.48403
1062 - 0 - 5.48476
1063 - 0 - 5.51318
1064 - 0 - 5.54131
1065 - 0 - 5.54227
1066 - 0 - 5.55364
1067 - 0 - 5.56444
1068 - 0 - 5.56452
1069 - 0 - 5.57477
1070 - 0 - 5.58082
1071 - 0 - 5.58155
1072 - 0 - 5.58696
1073 - 0 - 5.58727
1074 - 0 - 5.59167
1075 - 0 - 5.61185
1076 - 0 - 5.61284
1077 - 0 - 5.61785
1078 - 0 - 5.61801
1079 - 0 - 5.62564
1080 - 0 - 5.62599
1081 - 0 - 5.63146
1082 - 0 - 5.65487
1083 - 0 - 5.65693
1084 - 0 - 5.66146
1085 - 0 - 5.67003
1086 - 0 - 5.68811
1087 - 0 - 5.70928
1088 - 0 - 5.71985
1089 - 0 - 6.24762
1090 - 0 - 6.2486
1091 - 0 - 6.24999
1092 - 0 - 6.25352
1093 - 0 - 6.25754
1094 - 0 - 6.262
1095 - 0 - 6.26428
1096 - 0 - 6.26537
1097 - 0 - 6.26589
1098 - 0 - 6.32027
1099 - 0 - 6.32045
1100 - 0 - 6.33908
1101 - 0 - 6.35374
1102 - 0 - 6.35397
1103 - 0 - 6.36393
1104 - 0 - 6.36418
1105 - 0 - 6.37836
1106 - 0 - 6.37921
1107 - 0 - 6.42181
1108 - 0 - 6.43621
1109 - 0 - 6.43628
1110 - 0 - 6.4381
1111 - 0 - 6.44167
1112 - 0 - 6.44205
1113 - 0 - 6.44504
1114 - 0 - 6.45083
1115 - 0 - 6.46003
1116 - 0 - 6.46206
1117 - 0 - 6.46283
1118 - 0 - 6.47655
1119 - 0 - 6.48171
1120 - 0 - 6.48417
1121 - 0 - 6.48628
1122 - 0 - 6.49417
1123 - 0 - 6.71548
1124 - 0 - 6.71728
1125 - 0 - 6.71936
1126 - 0 - 6.72027
1127 - 0 - 6.7274
1128 - 0 - 6.73006
1129 - 0 - 6.73074
1130 - 0 - 6.73159
1131 - 0 - 6.73187
1132 - 0 - 6.73353
1133 - 0 - 6.73459
1134 - 0 - 6.73505
1135 - 0 - 6.73732
1136 - 0 - 6.7374
1137 - 0 - 6.73927
1138 - 0 - 6.74234
1139 - 0 - 6.74239
1140 - 0 - 6.74884
1141 - 0 - 6.74899
1142 - 0 - 6.76181
1143 - 0 - 6.76566
1144 - 0 - 6.76865
1145 - 0 - 6.77027
1146 - 0 - 6.77082
1147 - 0 - 6.77106
1148 - 0 - 6.77282
1149 - 0 - 6.77387
1150 - 0 - 6.77423
1151 - 0 - 6.77441
1152 - 0 - 6.78002
1153 - 0 - 6.78144
1154 - 0 - 6.78256
1155 - 0 - 6.78273
1156 - 0 - 6.78421
1157 - 0 - 6.78475
1158 - 0 - 6.78476
1159 - 0 - 6.78658
1160 - 0 - 6.78698
1161 - 0 - 6.79452
1162 - 0 - 6.79671
1163 - 0 - 6.79773
1164 - 0 - 6.79774
1165 - 0 - 6.8007
1166 - 0 - 6.80126
1167 - 0 - 6.80176
1168 - 0 - 6.80562
1169 - 0 - 6.80672
1170 - 0 - 6.80804
1171 - 0 - 6.80885
1172 - 0 - 6.81448
1173 - 0 - 6.81547
1174 - 0 - 6.81736
1175 - 0 - 6.81791
1176 - 0 - 6.81818
1177 - 0 - 6.81948
1178 - 0 - 6.8222
1179 - 0 - 6.82294
1180 - 0 - 6.82353
1181 - 0 - 6.82555
1182 - 0 - 6.82609
1183 - 0 - 6.82897
1184 - 0 - 6.82909
1185 - 0 - 6.82963
1186 - 0 - 6.83038
1187 - 0 - 6.83144
1188 - 0 - 6.83515
1189 - 0 - 6.83631
1190 - 0 - 6.83988
1191 - 0 - 6.84049
1192 - 0 - 6.84171
1193 - 0 - 6.84194
1194 - 0 - 6.8445
1195 - 0 - 6.85266
1196 - 0 - 6.85314
1197 - 0 - 6.85467
1198 - 0 - 6.85607
1199 - 0 - 6.85735
1200 - 0 - 6.85771
1201 - 0 - 6.85863
1202 - 0 - 6.86275
1203 - 0 - 6.8631
1204 - 0 - 6.86462
1205 - 0 - 6.86472
1206 - 0 - 6.8661
1207 - 0 - 6.87347
1208 - 0 - 6.87419
1209 - 0 - 6.87504
1210 - 0 - 6.87894
1211 - 0 - 6.88292
1212 - 0 - 6.88408
1213 - 0 - 6.89262
1214 - 0 - 6.89725
1215 - 0 - 6.89814
1216 - 0 - 6.90593
1217 - 0 - 6.90823
1218 - 0 - 6.90998
1219 - 0 - 6.91331
1220 - 0 - 6.92072
1221 - 0 - 6.92752
1222 - 0 - 6.92903
1223 - 0 - 6.93032
1224 - 0 - 6.93033
1225 - 0 - 6.93215
1226 - 0 - 6.94041
1227 - 0 - 6.9414
1228 - 0 - 6.94273
1229 - 0 - 6.94275
1230 - 0 - 6.94344
1231 - 0 - 6.94883
1232 - 0 - 6.95104
1233 - 0 - 6.9524
1234 - 0 - 6.95404
1235 - 0 - 6.95503
1236 - 0 - 6.95849
1237 - 0 - 6.95876
1238 - 0 - 6.95988
1239 - 0 - 6.96079
1240 - 0 - 6.96161
1241 - 0 - 6.96387
1242 - 0 - 6.96619
1243 - 0 - 6.96661
1244 - 0 - 6.9717
1245 - 0 - 6.97185
1246 - 0 - 6.97225
1247 - 0 - 6.97366
1248 - 0 - 6.98451
1249 - 0 - 6.9853
1250 - 0 - 6.98824
1251 - 0 - 6.99087
1252 - 0 - 6.99137
1253 - 0 - 6.9917
1254 - 0 - 6.99332
1255 - 0 - 7.00098
1256 - 0 - 7.00368
1257 - 0 - 7.00912
1258 - 0 - 7.01219
1259 - 0 - 7.01515
1260 - 0 - 7.02393
1261 - 0 - 7.02394
1262 - 0 - 7.04534
1263 - 0 - 7.05245
1264 - 0 - 7.06911
1265 - 0 - 7.10304
1266 - 0 - 7.10524
1267 - 0 - 7.11694
1268 - 0 - 7.12135
1269 - 0 - 7.15004
1270 - 0 - 7.18031
1271 - 0 - 7.18031
1272 - 0 - 7.18997
1273 - 0 - 7.22744
1274 - 0 - 7.24002
1275 - 0 - 7.24015
1276 - 0 - 7.24383
1277 - 0 - 7.24385
1278 - 0 - 7.25253
1279 - 0 - 7.25322
1280 - 0 - 7.25587
1281 - 0 - 7.25824
1282 - 0 - 7.25922
1283 - 0 - 7.25941
1284 - 0 - 7.26051
1285 - 0 - 7.26165
1286 - 0 - 7.26287
1287 - 0 - 7.26478
1288 - 0 - 7.2658
1289 - 0 - 7.26776
1290 - 0 - 7.26952
1291 - 0 - 7.27671
1292 - 0 - 7.2785
1293 - 0 - 49.94708
1294 - 0 - 49.9612
1295 - 0 - 49.96287
1296 - 0 - 49.96672
1297 - 0 - 49.97179
1298 - 0 - 49.97251
1299 - 0 - 49.9795
1300 - 0 - 49.98043
1301 - 0 - 49.98965
1302 - 0 - 50.04349
1303 - 0 - 50.04377
1304 - 0 - 50.046
1305 - 0 - 50.04603
1306 - 0 - 50.07573
1307 - 0 - 50.08151
1308 - 0 - 50.0854
1309 - 0 - 50.08828
1310 - 0 - 50.09125
1311 - 0 - 50.10699
1312 - 0 - 50.11846
1313 - 0 - 50.11902
1314 - 0 - 50.12486
1315 - 0 - 50.1274
1316 - 0 - 50.13611
1317 - 0 - 50.13712
1318 - 0 - 50.13782
1319 - 0 - 50.1447
1320 - 0 - 50.14474
1321 - 0 - 50.14814
1322 - 0 - 50.15929
1323 - 0 - 50.1595
1324 - 0 - 50.1696
1325 - 0 - 50.17009
1326 - 0 - 50.17077
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 O -0.88541  
2 H 0.44355  
3 H 0.43441  
4 O -0.87735  
5 H 0.43277  
6 H 0.45895  
7 O -0.87735  
8 H 0.43277  
9 H 0.45895  
10 O -0.91675  
11 H 0.43256  
12 H 0.46318  
13 O -0.90576  
14 H 0.45609  
15 H 0.45609  
16 O -0.95047  
17 H 0.47093  
18 H 0.47093  
19 H 0.45283  
20 O -0.89771  
21 H 0.45307  
22 H 0.45283  
23 O -0.89771  
24 H 0.45307  
25 H 0.47001  
26 O -0.95320  
27 H 0.47723  
28 H 0.47001  
29 O -0.95320  
30 H 0.47723  
31 O -0.89894  
32 H 0.44356  
33 H 0.44762  
34 O -0.89486  
35 H 0.44459  
36 H 0.44264  
37 O -0.92368  
38 H 0.44681  
39 H 0.48044  
40 O -0.91397  
41 H 0.44283  
42 H 0.46754  
43 O -0.90457  
44 H 0.45778  
45 H 0.45480  
46 O -0.93136  
47 H 0.45380  
48 H 0.48024  
49 H 0.45962  
50 O -0.90913  
51 H 0.45735  
52 H 0.47288  
53 O -0.94978  
54 H 0.46965  
55 O -0.89894  
56 H 0.44356  
57 H 0.44762  
58 O -0.89486  
59 H 0.44264  
60 H 0.44459  
61 O -0.92368  
62 H 0.44681  
63 H 0.48044  
64 O -0.91397  
65 H 0.44283  
66 H 0.46754  
67 O -0.90457  
68 H 0.45778  
69 H 0.45480  
70 O -0.93136  
71 H 0.48024  
72 H 0.45380  
73 H 0.45962  
74 O -0.90913  
75 H 0.45735  
76 H 0.47288  
77 O -0.94978  
78 H 0.46965  
79 O -0.88760  
80 H 0.44188  
81 H 0.43883  
82 O -0.88760  
83 H 0.44188  
84 H 0.43883  
85 O -0.89384  
86 H 0.43576  
87 H 0.45205  
88 O -0.91844  
89 H 0.44213  
90 H 0.47108  
91 O -0.91844  
92 H 0.44213  
93 H 0.47108  
94 O -0.91646  
95 H 0.44998  
96 H 0.47327  
97 O -0.89695  
98 H 0.45304  
99 H 0.45304  
100 O -0.90703  
101 H 0.46355  
102 H 0.46355  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 O1 Cor(1S) 1.999715089 - -18.772311670
2 O1 Val(2S) 1.641887549 - -0.828032200
3 O1 Ryd(4S) 0.001004514 - 1.490668002
4 O1 Ryd(3S) 0.000256038 - 0.903081538
5 O1 Ryd(5S) 0.000000042 - 49.670675382
6 O1 Val(2p) 1.586748753 - -0.203341534
7 O1 Ryd(3p) 0.005414244 - 0.673938605
8 O1 Ryd(4p) 0.000114911 - 0.758531505
9 O1 Ryd(5p) 0.000007872 - 5.714919024
10 O1 Val(2p) 1.646573852 - -0.219859352
11 O1 Ryd(3p) 0.003083176 - 0.699049302
12 O1 Ryd(4p) 0.000117756 - 0.918640550
13 O1 Ryd(5p) 0.000025945 - 5.518580198
14 O1 Val(2p) 1.988118019 - -0.257868659
15 O1 Ryd(3p) 0.003766683 - 0.637879063
16 O1 Ryd(4p) 0.000220038 - 0.846764688
17 O1 Ryd(5p) 0.000003259 - 5.048463935
18 O1 Ryd(3d) 0.002039194 - 2.218290759
19 O1 Ryd(4d) 0.000059582 - 6.892284599
20 O1 Ryd(3d) 0.000959605 - 1.866127055
21 O1 Ryd(4d) 0.000009630 - 6.722415306
22 O1 Ryd(3d) 0.001884093 - 1.822732388
23 O1 Ryd(4d) 0.000025999 - 6.708683999
24 O1 Ryd(3d) 0.001257491 - 2.938590000
25 O1 Ryd(4d) 0.000275328 - 7.056201890
26 O1 Ryd(3d) 0.001837266 - 2.210029928
27 O1 Ryd(4d) 0.000003943 - 6.828207522
28 H2 Val(1S) 0.552152952 - 0.404584763
29 H2 Ryd(3S) 0.001035789 - 1.544453250
30 H2 Ryd(2S) 0.000258510 - 1.435756145
31 H2 Ryd(2p) 0.000378943 - 3.107799354
32 H2 Ryd(2p) 0.001148693 - 1.931681301
33 H2 Ryd(2p) 0.001477731 - 1.857321263
34 H3 Val(1S) 0.561628101 - 0.301738536
35 H3 Ryd(3S) 0.000412826 - 1.360701501
36 H3 Ryd(2S) 0.000188407 - 1.249356342
37 H3 Ryd(2p) 0.000976113 - 1.986700344
38 H3 Ryd(2p) 0.000667360 - 2.819377207
39 H3 Ryd(2p) 0.001719103 - 1.757027687
40 O4 Cor(1S) 1.999708834 - -18.872716335
41 O4 Val(2S) 1.647833646 - -0.929485599
42 O4 Ryd(4S) 0.001300851 - 1.251485061
43 O4 Ryd(3S) 0.000454558 - 0.654823314
44 O4 Ryd(5S) 0.000000068 - 49.604400172
45 O4 Val(2p) 1.560599385 - -0.293992641
46 O4 Ryd(3p) 0.005686295 - 0.638017359
47 O4 Ryd(4p) 0.000102386 - 0.690454525
48 O4 Ryd(5p) 0.000011819 - 5.600846547
49 O4 Val(2p) 1.897129846 - -0.346721425
50 O4 Ryd(4p) 0.003720145 - 0.685664316
51 O4 Ryd(3p) 0.000138863 - 0.655718839
52 O4 Ryd(5p) 0.000010419 - 5.110739174
53 O4 Val(2p) 1.749415149 - -0.329319705
54 O4 Ryd(3p) 0.003043334 - 0.607295099
55 O4 Ryd(4p) 0.000235209 - 0.687490480
56 O4 Ryd(5p) 0.000021019 - 5.289437045
57 O4 Ryd(3d) 0.001048353 - 1.886396064
58 O4 Ryd(4d) 0.000024275 - 6.689785829
59 O4 Ryd(3d) 0.001733266 - 2.040138563
60 O4 Ryd(4d) 0.000046759 - 6.745793937
61 O4 Ryd(3d) 0.001979280 - 2.076412968
62 O4 Ryd(4d) 0.000061556 - 6.707382062
63 O4 Ryd(3d) 0.001159841 - 2.438886134
64 O4 Ryd(4d) 0.000112761 - 6.819081407
65 O4 Ryd(3d) 0.001650204 - 2.225967498
66 O4 Ryd(4d) 0.000118227 - 6.772179771
67 H5 Val(1S) 0.563355351 - 0.295280362
68 H5 Ryd(3S) 0.000506972 - 1.486599651
69 H5 Ryd(2S) 0.000256737 - 0.813911751
70 H5 Ryd(2p) 0.000307018 - 2.990584175
71 H5 Ryd(2p) 0.001446256 - 1.773474364
72 H5 Ryd(2p) 0.001361096 - 1.769879500
73 H6 Val(1S) 0.537287989 - 0.239344499
74 H6 Ryd(2S) 0.000516565 - 0.917777637
75 H6 Ryd(3S) 0.000366208 - 1.567847253
76 H6 Ryd(2p) 0.000818462 - 1.912596011
77 H6 Ryd(2p) 0.001137401 - 2.007293561
78 H6 Ryd(2p) 0.000924092 - 2.483242712
79 O7 Cor(1S) 1.999708834 - -18.872716335
80 O7 Val(2S) 1.647833646 - -0.929485599
81 O7 Ryd(4S) 0.001300851 - 1.251485061
82 O7 Ryd(3S) 0.000454558 - 0.654823314
83 O7 Ryd(5S) 0.000000068 - 49.604400172
84 O7 Val(2p) 1.560599385 - -0.293992641
85 O7 Ryd(3p) 0.005686295 - 0.638017359
86 O7 Ryd(4p) 0.000102386 - 0.690454525
87 O7 Ryd(5p) 0.000011819 - 5.600846547
88 O7 Val(2p) 1.897129846 - -0.346721425
89 O7 Ryd(4p) 0.003720145 - 0.685664316
90 O7 Ryd(3p) 0.000138863 - 0.655718839
91 O7 Ryd(5p) 0.000010419 - 5.110739174
92 O7 Val(2p) 1.749415149 - -0.329319705
93 O7 Ryd(3p) 0.003043334 - 0.607295099
94 O7 Ryd(4p) 0.000235209 - 0.687490480
95 O7 Ryd(5p) 0.000021019 - 5.289437045
96 O7 Ryd(3d) 0.001048353 - 1.886396064
97 O7 Ryd(4d) 0.000024275 - 6.689785829
98 O7 Ryd(3d) 0.001733266 - 2.040138563
99 O7 Ryd(4d) 0.000046759 - 6.745793937
100 O7 Ryd(3d) 0.001979280 - 2.076412968
101 O7 Ryd(4d) 0.000061556 - 6.707382062
102 O7 Ryd(3d) 0.001159841 - 2.438886134
103 O7 Ryd(4d) 0.000112761 - 6.819081407
104 O7 Ryd(3d) 0.001650204 - 2.225967498
105 O7 Ryd(4d) 0.000118227 - 6.772179771
106 H8 Val(1S) 0.563355351 - 0.295280362
107 H8 Ryd(3S) 0.000506972 - 1.486599651
108 H8 Ryd(2S) 0.000256737 - 0.813911751
109 H8 Ryd(2p) 0.000307018 - 2.990584175
110 H8 Ryd(2p) 0.001446256 - 1.773474364
111 H8 Ryd(2p) 0.001361096 - 1.769879500
112 H9 Val(1S) 0.537287989 - 0.239344499
113 H9 Ryd(2S) 0.000516565 - 0.917777637
114 H9 Ryd(3S) 0.000366208 - 1.567847253
115 H9 Ryd(2p) 0.000818462 - 1.912596011
116 H9 Ryd(2p) 0.001137401 - 2.007293561
117 H9 Ryd(2p) 0.000924092 - 2.483242712
118 O10 Cor(1S) 1.999706620 - -18.802796060
119 O10 Val(2S) 1.636602596 - -0.863294386
120 O10 Ryd(3S) 0.000826453 - 1.242359347
121 O10 Ryd(4S) 0.000208212 - 1.303283483
122 O10 Ryd(5S) 0.000000234 - 49.637943390
123 O10 Val(2p) 1.576212910 - -0.237623060
124 O10 Ryd(3p) 0.005983959 - 0.619111191
125 O10 Ryd(4p) 0.000128246 - 0.875161263
126 O10 Ryd(5p) 0.000012687 - 5.646212799
127 O10 Val(2p) 1.694477690 - -0.269290155
128 O10 Ryd(3p) 0.003527343 - 0.571590060
129 O10 Ryd(4p) 0.000154378 - 0.841383756
130 O10 Ryd(5p) 0.000022203 - 5.451767935
131 O10 Val(2p) 1.986409412 - -0.296377742
132 O10 Ryd(3p) 0.004237721 - 0.539404375
133 O10 Ryd(4p) 0.000166852 - 0.897745085
134 O10 Ryd(5p) 0.000006337 - 5.005900096
135 O10 Ryd(3d) 0.001758103 - 2.193416363
136 O10 Ryd(4d) 0.000051562 - 6.870462461
137 O10 Ryd(3d) 0.001116123 - 1.833499507
138 O10 Ryd(4d) 0.000015042 - 6.677578565
139 O10 Ryd(3d) 0.001507109 - 1.796312098
140 O10 Ryd(4d) 0.000020921 - 6.670880048
141 O10 Ryd(3d) 0.001502848 - 2.903656437
142 O10 Ryd(4d) 0.000236577 - 7.059128449
143 O10 Ryd(3d) 0.001848654 - 2.194904252
144 O10 Ryd(4d) 0.000007812 - 6.808089709
145 H11 Val(1S) 0.563268131 - 0.353919281
146 H11 Ryd(2S) 0.000925789 - 1.248499455
147 H11 Ryd(3S) 0.000294138 - 1.612544172
148 H11 Ryd(2p) 0.000321572 - 3.049744258
149 H11 Ryd(2p) 0.001070614 - 1.871889386
150 H11 Ryd(2p) 0.001558926 - 1.800226520
151 H12 Val(1S) 0.532412556 - 0.304214444
152 H12 Ryd(2S) 0.001575916 - 1.351074402
153 H12 Ryd(3S) 0.000261452 - 1.726104408
154 H12 Ryd(2p) 0.000763132 - 2.011844799
155 H12 Ryd(2p) 0.000643580 - 2.850511769
156 H12 Ryd(2p) 0.001163001 - 1.802458271
157 O13 Cor(1S) 1.999742253 - -18.922991929
158 O13 Val(2S) 1.666879129 - -0.976110197
159 O13 Ryd(4S) 0.001146800 - 1.262435362
160 O13 Ryd(3S) 0.000166560 - 0.554017798
161 O13 Ryd(5S) 0.000000028 - 49.543025911
162 O13 Val(2p) 1.915519261 - -0.377651329
163 O13 Ryd(3p) 0.002745775 - 0.598892330
164 O13 Ryd(4p) 0.000172489 - 0.632157665
165 O13 Ryd(5p) 0.000015383 - 5.058984019
166 O13 Val(2p) 1.841706561 - -0.370948220
167 O13 Ryd(3p) 0.001593822 - 0.496728501
168 O13 Ryd(4p) 0.000118561 - 0.703077048
169 O13 Ryd(5p) 0.000023630 - 5.131308203
170 O13 Val(2p) 1.460600702 - -0.324298760
171 O13 Ryd(3p) 0.007759234 - 0.550084445
172 O13 Ryd(4p) 0.000237908 - 0.766107682
173 O13 Ryd(5p) 0.000002724 - 5.680669680
174 O13 Ryd(3d) 0.002566696 - 1.827490372
175 O13 Ryd(4d) 0.000021260 - 6.631667794
176 O13 Ryd(3d) 0.000386739 - 2.057227588
177 O13 Ryd(4d) 0.000069575 - 6.702297724
178 O13 Ryd(3d) 0.000971334 - 2.453181898
179 O13 Ryd(4d) 0.000157542 - 6.825448128
180 O13 Ryd(3d) 0.002304444 - 1.771392121
181 O13 Ryd(4d) 0.000031688 - 6.659478126
182 O13 Ryd(3d) 0.000801347 - 2.181398286
183 O13 Ryd(4d) 0.000023000 - 6.791347300
184 H14 Val(1S) 0.540426578 - 0.195754712
185 H14 Ryd(3S) 0.000506536 - 1.742603025
186 H14 Ryd(2S) 0.000165564 - 0.573131437
187 H14 Ryd(2p) 0.001264711 - 1.822738412
188 H14 Ryd(2p) 0.001201660 - 1.918036214
189 H14 Ryd(2p) 0.000347692 - 2.522797077
190 H15 Val(1S) 0.540426578 - 0.195754712
191 H15 Ryd(3S) 0.000506536 - 1.742603025
192 H15 Ryd(2S) 0.000165564 - 0.573131437
193 H15 Ryd(2p) 0.001264711 - 1.822738412
194 H15 Ryd(2p) 0.001201660 - 1.918036214
195 H15 Ryd(2p) 0.000347692 - 2.522797077
196 O16 Cor(1S) 1.999694129 - -18.834525296
197 O16 Val(2S) 1.654663970 - -0.897695667
198 O16 Ryd(3S) 0.002235751 - 0.895720872
199 O16 Ryd(4S) 0.000216078 - 1.678690445
200 O16 Ryd(5S) 0.000000333 - 49.554481354
201 O16 Val(2p) 1.921617658 - -0.306649736
202 O16 Ryd(3p) 0.004450916 - 0.607859852
203 O16 Ryd(4p) 0.000185319 - 1.096719857
204 O16 Ryd(5p) 0.000015310 - 5.160713964
205 O16 Val(2p) 1.848189857 - -0.301286654
206 O16 Ryd(3p) 0.002527163 - 0.602906299
207 O16 Ryd(4p) 0.000309635 - 1.161590729
208 O16 Ryd(5p) 0.000025510 - 5.269212304
209 O16 Val(2p) 1.500214935 - -0.257279618
210 O16 Ryd(3p) 0.009336490 - 0.557220061
211 O16 Ryd(4p) 0.000221523 - 1.097330739
212 O16 Ryd(5p) 0.000008988 - 5.786805872
213 O16 Ryd(3d) 0.002206899 - 1.977572330
214 O16 Ryd(4d) 0.000028405 - 6.771173206
215 O16 Ryd(3d) 0.000689559 - 2.178496632
216 O16 Ryd(4d) 0.000039894 - 6.805581065
217 O16 Ryd(3d) 0.001207721 - 2.564287398
218 O16 Ryd(4d) 0.000090553 - 6.955249242
219 O16 Ryd(3d) 0.001663797 - 1.905939370
220 O16 Ryd(4d) 0.000023141 - 6.773329188
221 O16 Ryd(3d) 0.000572110 - 2.282226555
222 O16 Ryd(4d) 0.000037100 - 6.935585016
223 H17 Val(1S) 0.525444513 - 0.292579730
224 H17 Ryd(3S) 0.001476377 - 1.874100387
225 H17 Ryd(2S) 0.000055167 - 1.380701704
226 H17 Ryd(2p) 0.000874547 - 1.965316713
227 H17 Ryd(2p) 0.000762818 - 2.107926366
228 H17 Ryd(2p) 0.000458115 - 2.640592616
229 H18 Val(1S) 0.525444513 - 0.292579730
230 H18 Ryd(3S) 0.001476377 - 1.874100387
231 H18 Ryd(2S) 0.000055167 - 1.380701704
232 H18 Ryd(2p) 0.000874547 - 1.965316713
233 H18 Ryd(2p) 0.000762818 - 2.107926366
234 H18 Ryd(2p) 0.000458115 - 2.640592616
235 H19 Val(1S) 0.543151467 - 0.179372142
236 H19 Ryd(2S) 0.000642816 - 1.022226987
237 H19 Ryd(3S) 0.000378587 - 1.511290065
238 H19 Ryd(2p) 0.001300211 - 1.812424291
239 H19 Ryd(2p) 0.000766640 - 2.004985799
240 H19 Ryd(2p) 0.000929241 - 2.424377620
241 O20 Cor(1S) 1.999739278 - -18.936446293
242 O20 Val(2S) 1.667113961 - -0.988163079
243 O20 Ryd(4S) 0.001137760 - 1.376698709
244 O20 Ryd(3S) 0.000434405 - 0.602444223
245 O20 Ryd(5S) 0.000000030 - 49.552697439
246 O20 Val(2p) 1.913427164 - -0.390185915
247 O20 Ryd(3p) 0.002710704 - 0.613609323
248 O20 Ryd(4p) 0.000119726 - 0.662815391
249 O20 Ryd(5p) 0.000015413 - 5.057256718
250 O20 Val(2p) 1.552451438 - -0.347047701
251 O20 Ryd(3p) 0.006102344 - 0.558249736
252 O20 Ryd(4p) 0.000200058 - 0.757722739
253 O20 Ryd(5p) 0.000009150 - 5.549556301
254 O20 Val(2p) 1.743163283 - -0.370862565
255 O20 Ryd(3p) 0.003121427 - 0.530733738
256 O20 Ryd(4p) 0.000277813 - 0.822489514
257 O20 Ryd(5p) 0.000020762 - 5.269025516
258 O20 Ryd(3d) 0.000931294 - 1.979315326
259 O20 Ryd(4d) 0.000065927 - 6.685302579
260 O20 Ryd(3d) 0.002119516 - 1.862793963
261 O20 Ryd(4d) 0.000036885 - 6.652066494
262 O20 Ryd(3d) 0.001461118 - 2.112180302
263 O20 Ryd(4d) 0.000068438 - 6.749801955
264 O20 Ryd(3d) 0.001148457 - 2.115487293
265 O20 Ryd(4d) 0.000045978 - 6.780053002
266 O20 Ryd(3d) 0.001681369 - 2.136845339
267 O20 Ryd(4d) 0.000108401 - 6.751080147
268 H21 Val(1S) 0.542903876 - 0.179819405
269 H21 Ryd(2S) 0.000643609 - 0.989989954
270 H21 Ryd(3S) 0.000382943 - 1.542995759
271 H21 Ryd(2p) 0.001300084 - 1.812688171
272 H21 Ryd(2p) 0.000466742 - 2.726545512
273 H21 Ryd(2p) 0.001228401 - 1.703315396
274 H22 Val(1S) 0.543151467 - 0.179372142
275 H22 Ryd(2S) 0.000642816 - 1.022226986
276 H22 Ryd(3S) 0.000378587 - 1.511290066
277 H22 Ryd(2p) 0.001300211 - 1.812424291
278 H22 Ryd(2p) 0.000766640 - 2.004985799
279 H22 Ryd(2p) 0.000929241 - 2.424377620
280 O23 Cor(1S) 1.999739278 - -18.936446293
281 O23 Val(2S) 1.667113961 - -0.988163079
282 O23 Ryd(4S) 0.001137760 - 1.376698709
283 O23 Ryd(3S) 0.000434405 - 0.602444223
284 O23 Ryd(5S) 0.000000030 - 49.552697439
285 O23 Val(2p) 1.913427164 - -0.390185915
286 O23 Ryd(3p) 0.002710704 - 0.613609323
287 O23 Ryd(4p) 0.000119726 - 0.662815391
288 O23 Ryd(5p) 0.000015413 - 5.057256718
289 O23 Val(2p) 1.552451438 - -0.347047701
290 O23 Ryd(3p) 0.006102344 - 0.558249736
291 O23 Ryd(4p) 0.000200058 - 0.757722739
292 O23 Ryd(5p) 0.000009150 - 5.549556301
293 O23 Val(2p) 1.743163283 - -0.370862565
294 O23 Ryd(3p) 0.003121427 - 0.530733738
295 O23 Ryd(4p) 0.000277813 - 0.822489514
296 O23 Ryd(5p) 0.000020762 - 5.269025516
297 O23 Ryd(3d) 0.000931294 - 1.979315326
298 O23 Ryd(4d) 0.000065927 - 6.685302579
299 O23 Ryd(3d) 0.002119516 - 1.862793963
300 O23 Ryd(4d) 0.000036885 - 6.652066494
301 O23 Ryd(3d) 0.001461118 - 2.112180302
302 O23 Ryd(4d) 0.000068438 - 6.749801955
303 O23 Ryd(3d) 0.001148457 - 2.115487293
304 O23 Ryd(4d) 0.000045978 - 6.780053002
305 O23 Ryd(3d) 0.001681369 - 2.136845339
306 O23 Ryd(4d) 0.000108401 - 6.751080147
307 H24 Val(1S) 0.542903876 - 0.179819405
308 H24 Ryd(2S) 0.000643609 - 0.989989954
309 H24 Ryd(3S) 0.000382943 - 1.542995759
310 H24 Ryd(2p) 0.001300084 - 1.812688171
311 H24 Ryd(2p) 0.000466742 - 2.726545512
312 H24 Ryd(2p) 0.001228401 - 1.703315396
313 H25 Val(1S) 0.526519563 - 0.285901560
314 H25 Ryd(3S) 0.001278231 - 1.877987825
315 H25 Ryd(2S) 0.000110476 - 1.198296332
316 H25 Ryd(2p) 0.000907315 - 1.948925483
317 H25 Ryd(2p) 0.000415058 - 2.859471998
318 H25 Ryd(2p) 0.000755931 - 1.860854039
319 O26 Cor(1S) 1.999692555 - -18.839141010
320 O26 Val(2S) 1.655103919 - -0.903485022
321 O26 Ryd(3S) 0.001844508 - 0.848172764
322 O26 Ryd(4S) 0.000408428 - 1.627074452
323 O26 Ryd(5S) 0.000000349 - 49.601683543
324 O26 Val(2p) 1.922523425 - -0.311550457
325 O26 Ryd(3p) 0.004234714 - 0.628208737
326 O26 Ryd(4p) 0.000238838 - 1.009309341
327 O26 Ryd(5p) 0.000015223 - 5.156557335
328 O26 Val(2p) 1.586270891 - -0.273288494
329 O26 Ryd(3p) 0.006971696 - 0.588644260
330 O26 Ryd(4p) 0.000274243 - 1.087438638
331 O26 Ryd(5p) 0.000013340 - 5.653697891
332 O26 Val(2p) 1.765226070 - -0.296327285
333 O26 Ryd(3p) 0.003691486 - 0.609477698
334 O26 Ryd(4p) 0.000315716 - 1.036493978
335 O26 Ryd(5p) 0.000020947 - 5.396902792
336 O26 Ryd(3d) 0.001084182 - 2.129724012
337 O26 Ryd(4d) 0.000034041 - 6.784118126
338 O26 Ryd(3d) 0.001796583 - 2.031833681
339 O26 Ryd(4d) 0.000030917 - 6.766584993
340 O26 Ryd(3d) 0.000884860 - 2.258246751
341 O26 Ryd(4d) 0.000042758 - 6.892119627
342 O26 Ryd(3d) 0.001066503 - 2.216566126
343 O26 Ryd(4d) 0.000037141 - 6.873459121
344 O26 Ryd(3d) 0.001322245 - 2.273772603
345 O26 Ryd(4d) 0.000056072 - 6.863018087
346 H27 Val(1S) 0.518814095 - 0.297312591
347 H27 Ryd(3S) 0.001900457 - 1.770532415
348 H27 Ryd(2S) 0.000106188 - 1.318982229
349 H27 Ryd(2p) 0.000821634 - 1.959768164
350 H27 Ryd(2p) 0.000554161 - 2.133459169
351 H27 Ryd(2p) 0.000575934 - 2.604243162
352 H28 Val(1S) 0.526519563 - 0.285901560
353 H28 Ryd(3S) 0.001278231 - 1.877987825
354 H28 Ryd(2S) 0.000110476 - 1.198296332
355 H28 Ryd(2p) 0.000907315 - 1.948925483
356 H28 Ryd(2p) 0.000415058 - 2.859471998
357 H28 Ryd(2p) 0.000755931 - 1.860854039
358 O29 Cor(1S) 1.999692555 - -18.839141010
359 O29 Val(2S) 1.655103919 - -0.903485022
360 O29 Ryd(3S) 0.001844508 - 0.848172763
361 O29 Ryd(4S) 0.000408428 - 1.627074452
362 O29 Ryd(5S) 0.000000349 - 49.601683542
363 O29 Val(2p) 1.922523425 - -0.311550457
364 O29 Ryd(3p) 0.004234714 - 0.628208737
365 O29 Ryd(4p) 0.000238838 - 1.009309341
366 O29 Ryd(5p) 0.000015223 - 5.156557335
367 O29 Val(2p) 1.586270891 - -0.273288494
368 O29 Ryd(3p) 0.006971696 - 0.588644260
369 O29 Ryd(4p) 0.000274243 - 1.087438638
370 O29 Ryd(5p) 0.000013340 - 5.653697891
371 O29 Val(2p) 1.765226070 - -0.296327285
372 O29 Ryd(3p) 0.003691486 - 0.609477698
373 O29 Ryd(4p) 0.000315716 - 1.036493978
374 O29 Ryd(5p) 0.000020947 - 5.396902792
375 O29 Ryd(3d) 0.001084182 - 2.129724012
376 O29 Ryd(4d) 0.000034041 - 6.784118126
377 O29 Ryd(3d) 0.001796583 - 2.031833681
378 O29 Ryd(4d) 0.000030917 - 6.766584993
379 O29 Ryd(3d) 0.000884860 - 2.258246751
380 O29 Ryd(4d) 0.000042758 - 6.892119627
381 O29 Ryd(3d) 0.001066503 - 2.216566126
382 O29 Ryd(4d) 0.000037141 - 6.873459121
383 O29 Ryd(3d) 0.001322245 - 2.273772603
384 O29 Ryd(4d) 0.000056072 - 6.863018087
385 H30 Val(1S) 0.518814095 - 0.297312591
386 H30 Ryd(3S) 0.001900457 - 1.770532415
387 H30 Ryd(2S) 0.000106188 - 1.318982229
388 H30 Ryd(2p) 0.000821634 - 1.959768164
389 H30 Ryd(2p) 0.000554161 - 2.133459169
390 H30 Ryd(2p) 0.000575934 - 2.604243162
391 O31 Cor(1S) 1.999715254 - -18.775769995
392 O31 Val(2S) 1.642390567 - -0.833976192
393 O31 Ryd(4S) 0.000989590 - 1.279572041
394 O31 Ryd(3S) 0.000235279 - 1.021946924
395 O31 Ryd(5S) 0.000000038 - 49.646216478
396 O31 Val(2p) 1.587202393 - -0.208772096
397 O31 Ryd(3p) 0.005342510 - 0.647717201
398 O31 Ryd(4p) 0.000110537 - 0.775227016
399 O31 Ryd(5p) 0.000008538 - 5.709609421
400 O31 Val(2p) 1.906430655 - -0.253984920
401 O31 Ryd(3p) 0.003464520 - 0.626338933
402 O31 Ryd(4p) 0.000152162 - 0.807692267
403 O31 Ryd(5p) 0.000007902 - 5.142171948
404 O31 Val(2p) 1.741453954 - -0.236500022
405 O31 Ryd(3p) 0.003329819 - 0.654813825
406 O31 Ryd(4p) 0.000172857 - 0.796503130
407 O31 Ryd(5p) 0.000020104 - 5.389165568
408 O31 Ryd(3d) 0.001172024 - 1.958929147
409 O31 Ryd(4d) 0.000022722 - 6.750002770
410 O31 Ryd(3d) 0.001601376 - 2.131467091
411 O31 Ryd(4d) 0.000043972 - 6.837153200
412 O31 Ryd(3d) 0.001872889 - 2.168850544
413 O31 Ryd(4d) 0.000052578 - 6.802685413
414 O31 Ryd(3d) 0.001343775 - 2.524670967
415 O31 Ryd(4d) 0.000109249 - 6.910387929
416 O31 Ryd(3d) 0.001570939 - 2.278129955
417 O31 Ryd(4d) 0.000119433 - 6.836063159
418 H32 Val(1S) 0.552271256 - 0.400556815
419 H32 Ryd(3S) 0.001097789 - 1.486628672
420 H32 Ryd(2S) 0.000235031 - 1.433985262
421 H32 Ryd(2p) 0.000355969 - 3.101185953
422 H32 Ryd(2p) 0.001358636 - 1.870086580
423 H32 Ryd(2p) 0.001119935 - 1.904197259
424 H33 Val(1S) 0.548579829 - 0.318179771
425 H33 Ryd(2S) 0.000421535 - 0.721756637
426 H33 Ryd(3S) 0.000332289 - 1.991631812
427 H33 Ryd(2p) 0.000837266 - 1.990818204
428 H33 Ryd(2p) 0.001335705 - 2.030387506
429 H33 Ryd(2p) 0.000874453 - 2.557937076
430 O34 Cor(1S) 1.999717292 - -18.787787782
431 O34 Val(2S) 1.642124547 - -0.845201395
432 O34 Ryd(4S) 0.001041170 - 1.340661566
433 O34 Ryd(3S) 0.000231190 - 0.863056945
434 O34 Ryd(5S) 0.000000056 - 49.649437081
435 O34 Val(2p) 1.585642857 - -0.220130636
436 O34 Ryd(3p) 0.005324147 - 0.646323200
437 O34 Ryd(4p) 0.000127180 - 0.752483224
438 O34 Ryd(5p) 0.000009244 - 5.670779302
439 O34 Val(2p) 1.656703708 - -0.238923537
440 O34 Ryd(3p) 0.003218335 - 0.663339758
441 O34 Ryd(4p) 0.000147145 - 0.773248887
442 O34 Ryd(5p) 0.000023938 - 5.467114451
443 O34 Val(2p) 1.988891200 - -0.274271344
444 O34 Ryd(3p) 0.003543485 - 0.604947079
445 O34 Ryd(4p) 0.000130423 - 0.770523056
446 O34 Ryd(5p) 0.000002617 - 4.997971019
447 O34 Ryd(3d) 0.001861249 - 2.205211664
448 O34 Ryd(4d) 0.000056154 - 6.869231618
449 O34 Ryd(3d) 0.000964358 - 1.859055124
450 O34 Ryd(4d) 0.000011361 - 6.693896043
451 O34 Ryd(3d) 0.001700419 - 1.815672058
452 O34 Ryd(4d) 0.000024883 - 6.679563983
453 O34 Ryd(3d) 0.001289505 - 2.913317776
454 O34 Ryd(4d) 0.000259243 - 7.032638075
455 O34 Ryd(3d) 0.001813081 - 2.200130028
456 O34 Ryd(4d) 0.000004437 - 6.801820838
457 H35 Val(1S) 0.551621009 - 0.301012040
458 H35 Ryd(2S) 0.000382288 - 1.157584653
459 H35 Ryd(3S) 0.000287469 - 1.437993983
460 H35 Ryd(2p) 0.000858939 - 1.975363226
461 H35 Ryd(2p) 0.000662612 - 2.803518758
462 H35 Ryd(2p) 0.001594915 - 1.750198346
463 H36 Val(1S) 0.553233609 - 0.387332226
464 H36 Ryd(3S) 0.001001149 - 1.421912949
465 H36 Ryd(2S) 0.000221355 - 1.405388400
466 H36 Ryd(2p) 0.000361942 - 3.075756510
467 H36 Ryd(2p) 0.001041296 - 1.905580459
468 H36 Ryd(2p) 0.001497787 - 1.836684317
469 O37 Cor(1S) 1.999662655 - -18.842997065
470 O37 Val(2S) 1.637229357 - -0.910263211
471 O37 Ryd(3S) 0.002491126 - 0.893072918
472 O37 Ryd(4S) 0.000473033 - 1.608704461
473 O37 Ryd(5S) 0.000000333 - 49.581052223
474 O37 Val(2p) 1.586550784 - -0.283375094
475 O37 Ryd(3p) 0.006828141 - 0.597630080
476 O37 Ryd(4p) 0.000285419 - 1.085689850
477 O37 Ryd(5p) 0.000016932 - 5.696680915
478 O37 Val(2p) 1.904270700 - -0.332912464
479 O37 Ryd(3p) 0.004732132 - 0.670370857
480 O37 Ryd(4p) 0.000308019 - 1.077121103
481 O37 Ryd(5p) 0.000012510 - 5.172312336
482 O37 Val(2p) 1.769748122 - -0.321182898
483 O37 Ryd(3p) 0.004069624 - 0.633417851
484 O37 Ryd(4p) 0.000352526 - 1.111554016
485 O37 Ryd(5p) 0.000025805 - 5.404347502
486 O37 Ryd(3d) 0.000894296 - 1.971527657
487 O37 Ryd(4d) 0.000023324 - 6.690334886
488 O37 Ryd(3d) 0.001222244 - 2.112450439
489 O37 Ryd(4d) 0.000046678 - 6.769747492
490 O37 Ryd(3d) 0.001601846 - 2.204566294
491 O37 Ryd(4d) 0.000043230 - 6.810152150
492 O37 Ryd(3d) 0.001308762 - 2.507359743
493 O37 Ryd(4d) 0.000066369 - 6.884997080
494 O37 Ryd(3d) 0.001345807 - 2.319038872
495 O37 Ryd(4d) 0.000065841 - 6.820512965
496 H38 Val(1S) 0.549709368 - 0.335755601
497 H38 Ryd(3S) 0.001023721 - 1.820146848
498 H38 Ryd(2S) 0.000136049 - 1.270770727
499 H38 Ryd(2p) 0.000311035 - 3.048551324
500 H38 Ryd(2p) 0.001065191 - 1.848776797
501 H38 Ryd(2p) 0.000942302 - 1.867269022
502 H39 Val(1S) 0.515748243 - 0.288042697
503 H39 Ryd(3S) 0.001773691 - 1.762523017
504 H39 Ryd(2S) 0.000067046 - 1.463880915
505 H39 Ryd(2p) 0.000649651 - 1.987782236
506 H39 Ryd(2p) 0.000725001 - 2.095151008
507 H39 Ryd(2p) 0.000591492 - 2.608306524
508 O40 Cor(1S) 1.999680327 - -18.819673622
509 O40 Val(2S) 1.636228792 - -0.881443451
510 O40 Ryd(4S) 0.000813434 - 1.463639118
511 O40 Ryd(3S) 0.000294596 - 1.133022113
512 O40 Ryd(5S) 0.000000205 - 49.613465970
513 O40 Val(2p) 1.584803394 - -0.257540634
514 O40 Ryd(3p) 0.006052357 - 0.635189521
515 O40 Ryd(4p) 0.000172792 - 0.864975134
516 O40 Ryd(5p) 0.000015985 - 5.703555930
517 O40 Val(2p) 1.692167968 - -0.287470377
518 O40 Ryd(3p) 0.003374479 - 0.628166142
519 O40 Ryd(4p) 0.000220134 - 0.840961348
520 O40 Ryd(5p) 0.000033413 - 5.515449034
521 O40 Val(2p) 1.978038951 - -0.312760452
522 O40 Ryd(3p) 0.004230334 - 0.627948692
523 O40 Ryd(4p) 0.000260564 - 0.820965176
524 O40 Ryd(5p) 0.000002744 - 5.027284548
525 O40 Ryd(3d) 0.001559861 - 2.182637155
526 O40 Ryd(4d) 0.000048556 - 6.854048782
527 O40 Ryd(3d) 0.000937948 - 1.852960987
528 O40 Ryd(4d) 0.000014850 - 6.690351169
529 O40 Ryd(3d) 0.001343860 - 1.838522263
530 O40 Ryd(4d) 0.000024103 - 6.709168818
531 O40 Ryd(3d) 0.001569934 - 2.897888930
532 O40 Ryd(4d) 0.000205428 - 7.039690915
533 O40 Ryd(3d) 0.001856946 - 2.215901627
534 O40 Ryd(4d) 0.000015633 - 6.824600536
535 H41 Val(1S) 0.553179529 - 0.352531579
536 H41 Ryd(2S) 0.001039899 - 1.376873673
537 H41 Ryd(3S) 0.000360764 - 1.503599889
538 H41 Ryd(2p) 0.000292229 - 3.071584085
539 H41 Ryd(2p) 0.000942451 - 1.880774825
540 H41 Ryd(2p) 0.001356074 - 1.826918625
541 H42 Val(1S) 0.528473947 - 0.292288574
542 H42 Ryd(2S) 0.001302217 - 1.399924682
543 H42 Ryd(3S) 0.000311896 - 1.624240870
544 H42 Ryd(2p) 0.000704941 - 2.002211270
545 H42 Ryd(2p) 0.000568919 - 2.856185045
546 H42 Ryd(2p) 0.001096312 - 1.816375483
547 O43 Cor(1S) 1.999740981 - -18.912903104
548 O43 Val(2S) 1.667112421 - -0.966085757
549 O43 Ryd(4S) 0.001130782 - 1.302044179
550 O43 Ryd(3S) 0.000231742 - 0.524614814
551 O43 Ryd(5S) 0.000000030 - 49.561991029
552 O43 Val(2p) 1.914512461 - -0.367899976
553 O43 Ryd(3p) 0.002758170 - 0.624964031
554 O43 Ryd(4p) 0.000151493 - 0.630665148
555 O43 Ryd(5p) 0.000015620 - 5.071567719
556 O43 Val(2p) 1.841566247 - -0.360411672
557 O43 Ryd(3p) 0.001508582 - 0.524778038
558 O43 Ryd(4p) 0.000125709 - 0.681986167
559 O43 Ryd(5p) 0.000023257 - 5.129663113
560 O43 Val(2p) 1.460705063 - -0.313798586
561 O43 Ryd(3p) 0.007452541 - 0.578370466
562 O43 Ryd(4p) 0.000121007 - 0.740673887
563 O43 Ryd(5p) 0.000002619 - 5.683541329
564 O43 Ryd(3d) 0.002591505 - 1.833038171
565 O43 Ryd(4d) 0.000020965 - 6.647391198
566 O43 Ryd(3d) 0.000357235 - 2.063011212
567 O43 Ryd(4d) 0.000074939 - 6.716471341
568 O43 Ryd(3d) 0.000978140 - 2.458431216
569 O43 Ryd(4d) 0.000159800 - 6.838582462
570 O43 Ryd(3d) 0.002370146 - 1.776807756
571 O43 Ryd(4d) 0.000033002 - 6.674988878
572 O43 Ryd(3d) 0.000801813 - 2.189628525
573 O43 Ryd(4d) 0.000023706 - 6.804445696
574 H44 Val(1S) 0.538684770 - 0.208410689
575 H44 Ryd(3S) 0.000521712 - 1.772677430
576 H44 Ryd(2S) 0.000172674 - 0.595054835
577 H44 Ryd(2p) 0.001244444 - 1.833668076
578 H44 Ryd(2p) 0.001235683 - 1.930529024
579 H44 Ryd(2p) 0.000357398 - 2.536318768
580 H45 Val(1S) 0.541581403 - 0.204559651
581 H45 Ryd(3S) 0.000510494 - 1.764526209
582 H45 Ryd(2S) 0.000215512 - 0.651814334
583 H45 Ryd(2p) 0.001282977 - 1.831879730
584 H45 Ryd(2p) 0.001250956 - 1.929899662
585 H45 Ryd(2p) 0.000358032 - 2.531589517
586 O46 Cor(1S) 1.999705348 - -18.864622426
587 O46 Val(2S) 1.661241373 - -0.924612524
588 O46 Ryd(4S) 0.000852389 - 1.684422652
589 O46 Ryd(3S) 0.000367630 - 0.845488340
590 O46 Ryd(5S) 0.000000198 - 49.631282811
591 O46 Val(2p) 1.920062859 - -0.330141468
592 O46 Ryd(3p) 0.003431605 - 0.646673704
593 O46 Ryd(4p) 0.000240364 - 0.819745290
594 O46 Ryd(5p) 0.000015214 - 5.141480347
595 O46 Val(2p) 1.840999057 - -0.324271726
596 O46 Ryd(3p) 0.002038440 - 0.635897555
597 O46 Ryd(4p) 0.000266603 - 0.837298889
598 O46 Ryd(5p) 0.000028962 - 5.248895976
599 O46 Val(2p) 1.486777598 - -0.279888775
600 O46 Ryd(3p) 0.008345334 - 0.549588999
601 O46 Ryd(4p) 0.000302130 - 0.880282098
602 O46 Ryd(5p) 0.000006664 - 5.744015199
603 O46 Ryd(3d) 0.002325624 - 1.951907060
604 O46 Ryd(4d) 0.000027187 - 6.727345088
605 O46 Ryd(3d) 0.000613668 - 2.138428047
606 O46 Ryd(4d) 0.000048055 - 6.761681662
607 O46 Ryd(3d) 0.001103998 - 2.514743780
608 O46 Ryd(4d) 0.000108916 - 6.893554089
609 O46 Ryd(3d) 0.001769420 - 1.876285630
610 O46 Ryd(4d) 0.000024517 - 6.741688117
611 O46 Ryd(3d) 0.000630716 - 2.277667052
612 O46 Ryd(4d) 0.000021305 - 6.878042564
613 H47 Val(1S) 0.542923460 - 0.240286678
614 H47 Ryd(3S) 0.000592813 - 1.366791957
615 H47 Ryd(2S) 0.000273661 - 1.137832882
616 H47 Ryd(2p) 0.001150621 - 1.884876551
617 H47 Ryd(2p) 0.000959090 - 2.035142664
618 H47 Ryd(2p) 0.000298538 - 2.599080482
619 H48 Val(1S) 0.515156006 - 0.278462702
620 H48 Ryd(2S) 0.002350857 - 1.361216229
621 H48 Ryd(3S) 0.000345756 - 1.588839032
622 H48 Ryd(2p) 0.000809381 - 1.944485958
623 H48 Ryd(2p) 0.000745804 - 2.090172144
624 H48 Ryd(2p) 0.000355703 - 2.635387582
625 H49 Val(1S) 0.536890570 - 0.204271611
626 H49 Ryd(3S) 0.000508179 - 1.844515420
627 H49 Ryd(2S) 0.000229124 - 0.575382755
628 H49 Ryd(2p) 0.001227014 - 1.828729310
629 H49 Ryd(2p) 0.000672322 - 2.019617296
630 H49 Ryd(2p) 0.000856411 - 2.437916105
631 O50 Cor(1S) 1.999740317 - -18.920279114
632 O50 Val(2S) 1.667404862 - -0.974332671
633 O50 Ryd(4S) 0.001114072 - 1.283066808
634 O50 Ryd(3S) 0.000211515 - 0.577892540
635 O50 Ryd(5S) 0.000000034 - 49.549756650
636 O50 Val(2p) 1.915273173 - -0.375694627
637 O50 Ryd(3p) 0.002694310 - 0.616059304
638 O50 Ryd(4p) 0.000162748 - 0.627918825
639 O50 Ryd(5p) 0.000015106 - 5.064471590
640 O50 Val(2p) 1.557308468 - -0.333581595
641 O50 Ryd(3p) 0.006011702 - 0.555752905
642 O50 Ryd(4p) 0.000134736 - 0.794155548
643 O50 Ryd(5p) 0.000007928 - 5.549750852
644 O50 Val(2p) 1.748629229 - -0.357272735
645 O50 Ryd(3p) 0.003015791 - 0.528381954
646 O50 Ryd(4p) 0.000139048 - 0.708919248
647 O50 Ryd(5p) 0.000018312 - 5.274293516
648 O50 Ryd(3d) 0.000918669 - 2.003884164
649 O50 Ryd(4d) 0.000058792 - 6.687087217
650 O50 Ryd(3d) 0.001998408 - 1.888249302
651 O50 Ryd(4d) 0.000033764 - 6.651597622
652 O50 Ryd(3d) 0.001318511 - 2.133446547
653 O50 Ryd(4d) 0.000062472 - 6.754186316
654 O50 Ryd(3d) 0.001136728 - 2.128706354
655 O50 Ryd(4d) 0.000045296 - 6.777717054
656 O50 Ryd(3d) 0.001574867 - 2.153809024
657 O50 Ryd(4d) 0.000101376 - 6.751537051
658 H51 Val(1S) 0.539170143 - 0.200566005
659 H51 Ryd(3S) 0.000520169 - 1.753777389
660 H51 Ryd(2S) 0.000178639 - 0.603015095
661 H51 Ryd(2p) 0.001241215 - 1.826233463
662 H51 Ryd(2p) 0.000443941 - 2.738397302
663 H51 Ryd(2p) 0.001091430 - 1.714203161
664 H52 Val(1S) 0.523456334 - 0.289705797
665 H52 Ryd(3S) 0.001537195 - 1.857313083
666 H52 Ryd(2S) 0.000056464 - 1.405818082
667 H52 Ryd(2p) 0.000864776 - 1.961808858
668 H52 Ryd(2p) 0.000436264 - 2.869882956
669 H52 Ryd(2p) 0.000773354 - 1.872409601
670 O53 Cor(1S) 1.999693511 - -18.840620026
671 O53 Val(2S) 1.654591584 - -0.903651733
672 O53 Ryd(3S) 0.002264944 - 0.882332863
673 O53 Ryd(4S) 0.000235979 - 1.680674022
674 O53 Ryd(5S) 0.000000318 - 49.550979123
675 O53 Val(2p) 1.921828616 - -0.312332965
676 O53 Ryd(3p) 0.004375044 - 0.608216455
677 O53 Ryd(4p) 0.000182867 - 1.092876124
678 O53 Ryd(5p) 0.000015302 - 5.154630421
679 O53 Val(2p) 1.588591339 - -0.274592839
680 O53 Ryd(3p) 0.007488076 - 0.568069748
681 O53 Ryd(4p) 0.000256792 - 1.110784842
682 O53 Ryd(5p) 0.000012541 - 5.652456345
683 O53 Val(2p) 1.759307835 - -0.296028649
684 O53 Ryd(3p) 0.004079029 - 0.593208219
685 O53 Ryd(4p) 0.000296102 - 1.179916425
686 O53 Ryd(5p) 0.000021033 - 5.395212512
687 O53 Ryd(3d) 0.001073675 - 2.122430352
688 O53 Ryd(4d) 0.000036964 - 6.792165541
689 O53 Ryd(3d) 0.001834874 - 2.021836840
690 O53 Ryd(4d) 0.000031474 - 6.774673715
691 O53 Ryd(3d) 0.000978717 - 2.251154260
692 O53 Ryd(4d) 0.000048886 - 6.895411555
693 O53 Ryd(3d) 0.001040811 - 2.212983080
694 O53 Ryd(4d) 0.000040430 - 6.882563544
695 O53 Ryd(3d) 0.001391434 - 2.269820507
696 O53 Ryd(4d) 0.000062596 - 6.870203575
697 H54 Val(1S) 0.526767391 - 0.284795013
698 H54 Ryd(3S) 0.001401391 - 1.882173910
699 H54 Ryd(2S) 0.000055754 - 1.363204907
700 H54 Ryd(2p) 0.000897237 - 1.958349002
701 H54 Ryd(2p) 0.000636322 - 2.135530326
702 H54 Ryd(2p) 0.000593391 - 2.600666712
703 O55 Cor(1S) 1.999715254 - -18.775769995
704 O55 Val(2S) 1.642390567 - -0.833976192
705 O55 Ryd(4S) 0.000989590 - 1.279572041
706 O55 Ryd(3S) 0.000235279 - 1.021946925
707 O55 Ryd(5S) 0.000000038 - 49.646216478
708 O55 Val(2p) 1.587202393 - -0.208772096
709 O55 Ryd(3p) 0.005342510 - 0.647717201
710 O55 Ryd(4p) 0.000110537 - 0.775227016
711 O55 Ryd(5p) 0.000008538 - 5.709609421
712 O55 Val(2p) 1.906430655 - -0.253984920
713 O55 Ryd(3p) 0.003464520 - 0.626338933
714 O55 Ryd(4p) 0.000152162 - 0.807692267
715 O55 Ryd(5p) 0.000007902 - 5.142171948
716 O55 Val(2p) 1.741453954 - -0.236500022
717 O55 Ryd(3p) 0.003329819 - 0.654813825
718 O55 Ryd(4p) 0.000172857 - 0.796503130
719 O55 Ryd(5p) 0.000020104 - 5.389165568
720 O55 Ryd(3d) 0.001172024 - 1.958929147
721 O55 Ryd(4d) 0.000022722 - 6.750002770
722 O55 Ryd(3d) 0.001601376 - 2.131467091
723 O55 Ryd(4d) 0.000043972 - 6.837153200
724 O55 Ryd(3d) 0.001872889 - 2.168850544
725 O55 Ryd(4d) 0.000052578 - 6.802685413
726 O55 Ryd(3d) 0.001343775 - 2.524670967
727 O55 Ryd(4d) 0.000109249 - 6.910387929
728 O55 Ryd(3d) 0.001570939 - 2.278129955
729 O55 Ryd(4d) 0.000119433 - 6.836063159
730 H56 Val(1S) 0.552271256 - 0.400556815
731 H56 Ryd(3S) 0.001097789 - 1.486628672
732 H56 Ryd(2S) 0.000235031 - 1.433985262
733 H56 Ryd(2p) 0.000355969 - 3.101185953
734 H56 Ryd(2p) 0.001358636 - 1.870086580
735 H56 Ryd(2p) 0.001119935 - 1.904197259
736 H57 Val(1S) 0.548579829 - 0.318179771
737 H57 Ryd(2S) 0.000421535 - 0.721756637
738 H57 Ryd(3S) 0.000332289 - 1.991631812
739 H57 Ryd(2p) 0.000837266 - 1.990818204
740 H57 Ryd(2p) 0.001335705 - 2.030387506
741 H57 Ryd(2p) 0.000874453 - 2.557937076
742 O58 Cor(1S) 1.999717292 - -18.787787782
743 O58 Val(2S) 1.642124547 - -0.845201395
744 O58 Ryd(4S) 0.001041170 - 1.340661566
745 O58 Ryd(3S) 0.000231190 - 0.863056945
746 O58 Ryd(5S) 0.000000056 - 49.649437081
747 O58 Val(2p) 1.585642857 - -0.220130636
748 O58 Ryd(3p) 0.005324147 - 0.646323200
749 O58 Ryd(4p) 0.000127180 - 0.752483224
750 O58 Ryd(5p) 0.000009244 - 5.670779302
751 O58 Val(2p) 1.656703708 - -0.238923537
752 O58 Ryd(3p) 0.003218335 - 0.663339758
753 O58 Ryd(4p) 0.000147145 - 0.773248887
754 O58 Ryd(5p) 0.000023938 - 5.467114451
755 O58 Val(2p) 1.988891200 - -0.274271344
756 O58 Ryd(3p) 0.003543485 - 0.604947079
757 O58 Ryd(4p) 0.000130423 - 0.770523056
758 O58 Ryd(5p) 0.000002617 - 4.997971019
759 O58 Ryd(3d) 0.001861249 - 2.205211664
760 O58 Ryd(4d) 0.000056154 - 6.869231618
761 O58 Ryd(3d) 0.000964358 - 1.859055124
762 O58 Ryd(4d) 0.000011361 - 6.693896043
763 O58 Ryd(3d) 0.001700419 - 1.815672058
764 O58 Ryd(4d) 0.000024883 - 6.679563983
765 O58 Ryd(3d) 0.001289505 - 2.913317776
766 O58 Ryd(4d) 0.000259243 - 7.032638075
767 O58 Ryd(3d) 0.001813081 - 2.200130028
768 O58 Ryd(4d) 0.000004437 - 6.801820838
769 H59 Val(1S) 0.553233609 - 0.387332226
770 H59 Ryd(3S) 0.001001149 - 1.421912949
771 H59 Ryd(2S) 0.000221355 - 1.405388400
772 H59 Ryd(2p) 0.000361942 - 3.075756510
773 H59 Ryd(2p) 0.001041296 - 1.905580459
774 H59 Ryd(2p) 0.001497787 - 1.836684317
775 H60 Val(1S) 0.551621009 - 0.301012040
776 H60 Ryd(2S) 0.000382288 - 1.157584653
777 H60 Ryd(3S) 0.000287469 - 1.437993983
778 H60 Ryd(2p) 0.000858939 - 1.975363226
779 H60 Ryd(2p) 0.000662612 - 2.803518758
780 H60 Ryd(2p) 0.001594915 - 1.750198346
781 O61 Cor(1S) 1.999662655 - -18.842997065
782 O61 Val(2S) 1.637229357 - -0.910263211
783 O61 Ryd(3S) 0.002491126 - 0.893072918
784 O61 Ryd(4S) 0.000473033 - 1.608704460
785 O61 Ryd(5S) 0.000000333 - 49.581052224
786 O61 Val(2p) 1.586550784 - -0.283375094
787 O61 Ryd(3p) 0.006828141 - 0.597630080
788 O61 Ryd(4p) 0.000285419 - 1.085689850
789 O61 Ryd(5p) 0.000016932 - 5.696680915
790 O61 Val(2p) 1.904270700 - -0.332912464
791 O61 Ryd(3p) 0.004732132 - 0.670370857
792 O61 Ryd(4p) 0.000308019 - 1.077121103
793 O61 Ryd(5p) 0.000012510 - 5.172312336
794 O61 Val(2p) 1.769748122 - -0.321182898
795 O61 Ryd(3p) 0.004069624 - 0.633417851
796 O61 Ryd(4p) 0.000352526 - 1.111554016
797 O61 Ryd(5p) 0.000025805 - 5.404347502
798 O61 Ryd(3d) 0.000894296 - 1.971527657
799 O61 Ryd(4d) 0.000023324 - 6.690334886
800 O61 Ryd(3d) 0.001222244 - 2.112450439
801 O61 Ryd(4d) 0.000046678 - 6.769747492
802 O61 Ryd(3d) 0.001601846 - 2.204566294
803 O61 Ryd(4d) 0.000043230 - 6.810152150
804 O61 Ryd(3d) 0.001308762 - 2.507359743
805 O61 Ryd(4d) 0.000066369 - 6.884997080
806 O61 Ryd(3d) 0.001345807 - 2.319038872
807 O61 Ryd(4d) 0.000065841 - 6.820512965
808 H62 Val(1S) 0.549709368 - 0.335755601
809 H62 Ryd(3S) 0.001023721 - 1.820146847
810 H62 Ryd(2S) 0.000136049 - 1.270770727
811 H62 Ryd(2p) 0.000311035 - 3.048551324
812 H62 Ryd(2p) 0.001065191 - 1.848776797
813 H62 Ryd(2p) 0.000942302 - 1.867269022
814 H63 Val(1S) 0.515748243 - 0.288042697
815 H63 Ryd(3S) 0.001773691 - 1.762523017
816 H63 Ryd(2S) 0.000067046 - 1.463880915
817 H63 Ryd(2p) 0.000649651 - 1.987782236
818 H63 Ryd(2p) 0.000725001 - 2.095151008
819 H63 Ryd(2p) 0.000591492 - 2.608306524
820 O64 Cor(1S) 1.999680327 - -18.819673622
821 O64 Val(2S) 1.636228792 - -0.881443451
822 O64 Ryd(4S) 0.000813434 - 1.463639117
823 O64 Ryd(3S) 0.000294596 - 1.133022114
824 O64 Ryd(5S) 0.000000205 - 49.613465970
825 O64 Val(2p) 1.584803394 - -0.257540634
826 O64 Ryd(3p) 0.006052357 - 0.635189521
827 O64 Ryd(4p) 0.000172792 - 0.864975134
828 O64 Ryd(5p) 0.000015985 - 5.703555930
829 O64 Val(2p) 1.692167968 - -0.287470377
830 O64 Ryd(3p) 0.003374479 - 0.628166142
831 O64 Ryd(4p) 0.000220134 - 0.840961348
832 O64 Ryd(5p) 0.000033413 - 5.515449034
833 O64 Val(2p) 1.978038951 - -0.312760452
834 O64 Ryd(3p) 0.004230334 - 0.627948692
835 O64 Ryd(4p) 0.000260564 - 0.820965176
836 O64 Ryd(5p) 0.000002744 - 5.027284548
837 O64 Ryd(3d) 0.001559861 - 2.182637155
838 O64 Ryd(4d) 0.000048556 - 6.854048782
839 O64 Ryd(3d) 0.000937948 - 1.852960987
840 O64 Ryd(4d) 0.000014850 - 6.690351169
841 O64 Ryd(3d) 0.001343860 - 1.838522263
842 O64 Ryd(4d) 0.000024103 - 6.709168818
843 O64 Ryd(3d) 0.001569934 - 2.897888930
844 O64 Ryd(4d) 0.000205428 - 7.039690915
845 O64 Ryd(3d) 0.001856946 - 2.215901627
846 O64 Ryd(4d) 0.000015633 - 6.824600536
847 H65 Val(1S) 0.553179529 - 0.352531579
848 H65 Ryd(2S) 0.001039899 - 1.376873673
849 H65 Ryd(3S) 0.000360764 - 1.503599889
850 H65 Ryd(2p) 0.000292229 - 3.071584085
851 H65 Ryd(2p) 0.000942451 - 1.880774825
852 H65 Ryd(2p) 0.001356074 - 1.826918625
853 H66 Val(1S) 0.528473947 - 0.292288574
854 H66 Ryd(2S) 0.001302217 - 1.399924682
855 H66 Ryd(3S) 0.000311896 - 1.624240870
856 H66 Ryd(2p) 0.000704941 - 2.002211270
857 H66 Ryd(2p) 0.000568919 - 2.856185045
858 H66 Ryd(2p) 0.001096312 - 1.816375483
859 O67 Cor(1S) 1.999740981 - -18.912903104
860 O67 Val(2S) 1.667112421 - -0.966085757
861 O67 Ryd(4S) 0.001130782 - 1.302044179
862 O67 Ryd(3S) 0.000231742 - 0.524614814
863 O67 Ryd(5S) 0.000000030 - 49.561991029
864 O67 Val(2p) 1.914512461 - -0.367899976
865 O67 Ryd(3p) 0.002758170 - 0.624964031
866 O67 Ryd(4p) 0.000151493 - 0.630665148
867 O67 Ryd(5p) 0.000015620 - 5.071567719
868 O67 Val(2p) 1.841566247 - -0.360411672
869 O67 Ryd(3p) 0.001508582 - 0.524778038
870 O67 Ryd(4p) 0.000125709 - 0.681986167
871 O67 Ryd(5p) 0.000023257 - 5.129663113
872 O67 Val(2p) 1.460705063 - -0.313798586
873 O67 Ryd(3p) 0.007452541 - 0.578370466
874 O67 Ryd(4p) 0.000121007 - 0.740673887
875 O67 Ryd(5p) 0.000002619 - 5.683541329
876 O67 Ryd(3d) 0.002591505 - 1.833038171
877 O67 Ryd(4d) 0.000020965 - 6.647391198
878 O67 Ryd(3d) 0.000357235 - 2.063011212
879 O67 Ryd(4d) 0.000074939 - 6.716471341
880 O67 Ryd(3d) 0.000978140 - 2.458431216
881 O67 Ryd(4d) 0.000159800 - 6.838582462
882 O67 Ryd(3d) 0.002370146 - 1.776807756
883 O67 Ryd(4d) 0.000033002 - 6.674988878
884 O67 Ryd(3d) 0.000801813 - 2.189628525
885 O67 Ryd(4d) 0.000023706 - 6.804445696
886 H68 Val(1S) 0.538684770 - 0.208410689
887 H68 Ryd(3S) 0.000521712 - 1.772677430
888 H68 Ryd(2S) 0.000172674 - 0.595054835
889 H68 Ryd(2p) 0.001244444 - 1.833668076
890 H68 Ryd(2p) 0.001235683 - 1.930529024
891 H68 Ryd(2p) 0.000357398 - 2.536318768
892 H69 Val(1S) 0.541581403 - 0.204559651
893 H69 Ryd(3S) 0.000510494 - 1.764526209
894 H69 Ryd(2S) 0.000215512 - 0.651814334
895 H69 Ryd(2p) 0.001282977 - 1.831879730
896 H69 Ryd(2p) 0.001250956 - 1.929899662
897 H69 Ryd(2p) 0.000358032 - 2.531589517
898 O70 Cor(1S) 1.999705348 - -18.864622426
899 O70 Val(2S) 1.661241373 - -0.924612524
900 O70 Ryd(4S) 0.000852389 - 1.684422652
901 O70 Ryd(3S) 0.000367630 - 0.845488340
902 O70 Ryd(5S) 0.000000198 - 49.631282811
903 O70 Val(2p) 1.920062859 - -0.330141468
904 O70 Ryd(3p) 0.003431605 - 0.646673704
905 O70 Ryd(4p) 0.000240364 - 0.819745290
906 O70 Ryd(5p) 0.000015214 - 5.141480347
907 O70 Val(2p) 1.840999057 - -0.324271726
908 O70 Ryd(3p) 0.002038440 - 0.635897555
909 O70 Ryd(4p) 0.000266603 - 0.837298889
910 O70 Ryd(5p) 0.000028962 - 5.248895976
911 O70 Val(2p) 1.486777598 - -0.279888775
912 O70 Ryd(3p) 0.008345334 - 0.549588999
913 O70 Ryd(4p) 0.000302130 - 0.880282098
914 O70 Ryd(5p) 0.000006664 - 5.744015199
915 O70 Ryd(3d) 0.002325624 - 1.951907060
916 O70 Ryd(4d) 0.000027187 - 6.727345088
917 O70 Ryd(3d) 0.000613668 - 2.138428047
918 O70 Ryd(4d) 0.000048055 - 6.761681662
919 O70 Ryd(3d) 0.001103998 - 2.514743780
920 O70 Ryd(4d) 0.000108916 - 6.893554089
921 O70 Ryd(3d) 0.001769420 - 1.876285630
922 O70 Ryd(4d) 0.000024517 - 6.741688117
923 O70 Ryd(3d) 0.000630716 - 2.277667052
924 O70 Ryd(4d) 0.000021305 - 6.878042564
925 H71 Val(1S) 0.515156006 - 0.278462702
926 H71 Ryd(2S) 0.002350857 - 1.361216229
927 H71 Ryd(3S) 0.000345756 - 1.588839032
928 H71 Ryd(2p) 0.000809381 - 1.944485958
929 H71 Ryd(2p) 0.000745804 - 2.090172144
930 H71 Ryd(2p) 0.000355703 - 2.635387582
931 H72 Val(1S) 0.542923460 - 0.240286678
932 H72 Ryd(3S) 0.000592813 - 1.366791957
933 H72 Ryd(2S) 0.000273661 - 1.137832881
934 H72 Ryd(2p) 0.001150621 - 1.884876551
935 H72 Ryd(2p) 0.000959090 - 2.035142664
936 H72 Ryd(2p) 0.000298538 - 2.599080482
937 H73 Val(1S) 0.536890570 - 0.204271611
938 H73 Ryd(3S) 0.000508179 - 1.844515420
939 H73 Ryd(2S) 0.000229124 - 0.575382755
940 H73 Ryd(2p) 0.001227014 - 1.828729310
941 H73 Ryd(2p) 0.000672322 - 2.019617296
942 H73 Ryd(2p) 0.000856411 - 2.437916105
943 O74 Cor(1S) 1.999740317 - -18.920279114
944 O74 Val(2S) 1.667404862 - -0.974332671
945 O74 Ryd(4S) 0.001114072 - 1.283066808
946 O74 Ryd(3S) 0.000211515 - 0.577892540
947 O74 Ryd(5S) 0.000000034 - 49.549756650
948 O74 Val(2p) 1.915273173 - -0.375694627
949 O74 Ryd(3p) 0.002694310 - 0.616059304
950 O74 Ryd(4p) 0.000162748 - 0.627918825
951 O74 Ryd(5p) 0.000015106 - 5.064471590
952 O74 Val(2p) 1.557308468 - -0.333581595
953 O74 Ryd(3p) 0.006011702 - 0.555752905
954 O74 Ryd(4p) 0.000134736 - 0.794155548
955 O74 Ryd(5p) 0.000007928 - 5.549750852
956 O74 Val(2p) 1.748629229 - -0.357272735
957 O74 Ryd(3p) 0.003015791 - 0.528381954
958 O74 Ryd(4p) 0.000139048 - 0.708919248
959 O74 Ryd(5p) 0.000018312 - 5.274293516
960 O74 Ryd(3d) 0.000918669 - 2.003884164
961 O74 Ryd(4d) 0.000058792 - 6.687087217
962 O74 Ryd(3d) 0.001998408 - 1.888249302
963 O74 Ryd(4d) 0.000033764 - 6.651597622
964 O74 Ryd(3d) 0.001318511 - 2.133446547
965 O74 Ryd(4d) 0.000062472 - 6.754186316
966 O74 Ryd(3d) 0.001136728 - 2.128706354
967 O74 Ryd(4d) 0.000045296 - 6.777717054
968 O74 Ryd(3d) 0.001574867 - 2.153809024
969 O74 Ryd(4d) 0.000101376 - 6.751537051
970 H75 Val(1S) 0.539170143 - 0.200566005
971 H75 Ryd(3S) 0.000520169 - 1.753777389
972 H75 Ryd(2S) 0.000178639 - 0.603015095
973 H75 Ryd(2p) 0.001241215 - 1.826233463
974 H75 Ryd(2p) 0.000443941 - 2.738397302
975 H75 Ryd(2p) 0.001091430 - 1.714203161
976 H76 Val(1S) 0.523456334 - 0.289705797
977 H76 Ryd(3S) 0.001537195 - 1.857313083
978 H76 Ryd(2S) 0.000056463 - 1.405818082
979 H76 Ryd(2p) 0.000864776 - 1.961808858
980 H76 Ryd(2p) 0.000436264 - 2.869882956
981 H76 Ryd(2p) 0.000773354 - 1.872409601
982 O77 Cor(1S) 1.999693511 - -18.840620026
983 O77 Val(2S) 1.654591584 - -0.903651733
984 O77 Ryd(3S) 0.002264944 - 0.882332863
985 O77 Ryd(4S) 0.000235979 - 1.680674022
986 O77 Ryd(5S) 0.000000318 - 49.550979123
987 O77 Val(2p) 1.921828616 - -0.312332965
988 O77 Ryd(3p) 0.004375044 - 0.608216455
989 O77 Ryd(4p) 0.000182867 - 1.092876124
990 O77 Ryd(5p) 0.000015302 - 5.154630421
991 O77 Val(2p) 1.588591339 - -0.274592839
992 O77 Ryd(3p) 0.007488076 - 0.568069748
993 O77 Ryd(4p) 0.000256792 - 1.110784842
994 O77 Ryd(5p) 0.000012541 - 5.652456345
995 O77 Val(2p) 1.759307835 - -0.296028649
996 O77 Ryd(3p) 0.004079029 - 0.593208219
997 O77 Ryd(4p) 0.000296102 - 1.179916425
998 O77 Ryd(5p) 0.000021033 - 5.395212512
999 O77 Ryd(3d) 0.001073675 - 2.122430352
1000 O77 Ryd(4d) 0.000036964 - 6.792165541
1001 O77 Ryd(3d) 0.001834874 - 2.021836840
1002 O77 Ryd(4d) 0.000031474 - 6.774673715
1003 O77 Ryd(3d) 0.000978717 - 2.251154260
1004 O77 Ryd(4d) 0.000048886 - 6.895411555
1005 O77 Ryd(3d) 0.001040811 - 2.212983080
1006 O77 Ryd(4d) 0.000040430 - 6.882563544
1007 O77 Ryd(3d) 0.001391434 - 2.269820507
1008 O77 Ryd(4d) 0.000062596 - 6.870203575
1009 H78 Val(1S) 0.526767391 - 0.284795013
1010 H78 Ryd(3S) 0.001401391 - 1.882173910
1011 H78 Ryd(2S) 0.000055754 - 1.363204907
1012 H78 Ryd(2p) 0.000897237 - 1.958349002
1013 H78 Ryd(2p) 0.000636322 - 2.135530326
1014 H78 Ryd(2p) 0.000593391 - 2.600666712
1015 O79 Cor(1S) 1.999715634 - -18.770857260
1016 O79 Val(2S) 1.642076874 - -0.827031536
1017 O79 Ryd(4S) 0.000983432 - 1.463494046
1018 O79 Ryd(3S) 0.000265111 - 0.940447822
1019 O79 Ryd(5S) 0.000000042 - 49.667469210
1020 O79 Val(2p) 1.585137131 - -0.201819317
1021 O79 Ryd(3p) 0.005392580 - 0.671118113
1022 O79 Ryd(4p) 0.000114900 - 0.758740175
1023 O79 Ryd(5p) 0.000008380 - 5.729708843
1024 O79 Val(2p) 1.903266068 - -0.247424685
1025 O79 Ryd(3p) 0.003641193 - 0.648123960
1026 O79 Ryd(4p) 0.000180555 - 0.871766771
1027 O79 Ryd(5p) 0.000008589 - 5.169116032
1028 O79 Val(2p) 1.734954508 - -0.228500365
1029 O79 Ryd(3p) 0.003284100 - 0.681908631
1030 O79 Ryd(4p) 0.000197033 - 0.942642383
1031 O79 Ryd(5p) 0.000021452 - 5.419829766
1032 O79 Ryd(3d) 0.001252204 - 1.955116142
1033 O79 Ryd(4d) 0.000022593 - 6.766397646
1034 O79 Ryd(3d) 0.001752504 - 2.131592201
1035 O79 Ryd(4d) 0.000046919 - 6.851573976
1036 O79 Ryd(3d) 0.001942888 - 2.169115298
1037 O79 Ryd(4d) 0.000054277 - 6.820149527
1038 O79 Ryd(3d) 0.001377737 - 2.525270527
1039 O79 Ryd(4d) 0.000118095 - 6.924708723
1040 O79 Ryd(3d) 0.001654718 - 2.280670173
1041 O79 Ryd(4d) 0.000128469 - 6.853016946
1042 H80 Val(1S) 0.553853326 - 0.403215357
1043 H80 Ryd(3S) 0.000993209 - 1.560420665
1044 H80 Ryd(2S) 0.000248444 - 1.429607569
1045 H80 Ryd(2p) 0.000371557 - 3.108223872
1046 H80 Ryd(2p) 0.001413799 - 1.875299349
1047 H80 Ryd(2p) 0.001241413 - 1.913001947
1048 H81 Val(1S) 0.557214523 - 0.310220551
1049 H81 Ryd(2S) 0.000419883 - 1.289215973
1050 H81 Ryd(3S) 0.000247772 - 1.423066308
1051 H81 Ryd(2p) 0.000953786 - 1.991772597
1052 H81 Ryd(2p) 0.001425691 - 2.029823509
1053 H81 Ryd(2p) 0.000912043 - 2.561485311
1054 O82 Cor(1S) 1.999715634 - -18.770857260
1055 O82 Val(2S) 1.642076874 - -0.827031536
1056 O82 Ryd(4S) 0.000983432 - 1.463494046
1057 O82 Ryd(3S) 0.000265111 - 0.940447822
1058 O82 Ryd(5S) 0.000000042 - 49.667469210
1059 O82 Val(2p) 1.585137131 - -0.201819317
1060 O82 Ryd(3p) 0.005392580 - 0.671118113
1061 O82 Ryd(4p) 0.000114900 - 0.758740175
1062 O82 Ryd(5p) 0.000008380 - 5.729708843
1063 O82 Val(2p) 1.903266068 - -0.247424685
1064 O82 Ryd(3p) 0.003641193 - 0.648123960
1065 O82 Ryd(4p) 0.000180555 - 0.871766771
1066 O82 Ryd(5p) 0.000008589 - 5.169116032
1067 O82 Val(2p) 1.734954508 - -0.228500365
1068 O82 Ryd(3p) 0.003284100 - 0.681908631
1069 O82 Ryd(4p) 0.000197033 - 0.942642383
1070 O82 Ryd(5p) 0.000021452 - 5.419829766
1071 O82 Ryd(3d) 0.001252204 - 1.955116142
1072 O82 Ryd(4d) 0.000022593 - 6.766397646
1073 O82 Ryd(3d) 0.001752504 - 2.131592201
1074 O82 Ryd(4d) 0.000046919 - 6.851573976
1075 O82 Ryd(3d) 0.001942888 - 2.169115298
1076 O82 Ryd(4d) 0.000054277 - 6.820149527
1077 O82 Ryd(3d) 0.001377737 - 2.525270527
1078 O82 Ryd(4d) 0.000118095 - 6.924708723
1079 O82 Ryd(3d) 0.001654718 - 2.280670173
1080 O82 Ryd(4d) 0.000128469 - 6.853016946
1081 H83 Val(1S) 0.553853326 - 0.403215357
1082 H83 Ryd(3S) 0.000993209 - 1.560420664
1083 H83 Ryd(2S) 0.000248444 - 1.429607570
1084 H83 Ryd(2p) 0.000371557 - 3.108223872
1085 H83 Ryd(2p) 0.001413799 - 1.875299349
1086 H83 Ryd(2p) 0.001241413 - 1.913001947
1087 H84 Val(1S) 0.557214523 - 0.310220551
1088 H84 Ryd(2S) 0.000419883 - 1.289215972
1089 H84 Ryd(3S) 0.000247772 - 1.423066309
1090 H84 Ryd(2p) 0.000953786 - 1.991772597
1091 H84 Ryd(2p) 0.001425691 - 2.029823509
1092 H84 Ryd(2p) 0.000912043 - 2.561485311
1093 O85 Cor(1S) 1.999719203 - -18.794049734
1094 O85 Val(2S) 1.642014275 - -0.850982063
1095 O85 Ryd(4S) 0.001084658 - 1.313454774
1096 O85 Ryd(3S) 0.000166551 - 0.765009703
1097 O85 Ryd(5S) 0.000000083 - 49.644049048
1098 O85 Val(2p) 1.578120796 - -0.224549612
1099 O85 Ryd(3p) 0.005291041 - 0.645545650
1100 O85 Ryd(4p) 0.000124643 - 0.748949648
1101 O85 Ryd(5p) 0.000010127 - 5.661221353
1102 O85 Val(2p) 1.663564237 - -0.246144552
1103 O85 Ryd(3p) 0.003217556 - 0.656667229
1104 O85 Ryd(4p) 0.000198209 - 0.779954416
1105 O85 Ryd(5p) 0.000025195 - 5.464665743
1106 O85 Val(2p) 1.988701448 - -0.280019652
1107 O85 Ryd(3p) 0.003474316 - 0.599303204
1108 O85 Ryd(4p) 0.000078675 - 0.730807376
1109 O85 Ryd(5p) 0.000002184 - 4.973937175
1110 O85 Ryd(3d) 0.001849057 - 2.198003215
1111 O85 Ryd(4d) 0.000055999 - 6.864076692
1112 O85 Ryd(3d) 0.001060374 - 1.850993228
1113 O85 Ryd(4d) 0.000013516 - 6.688892714
1114 O85 Ryd(3d) 0.001649621 - 1.807435521
1115 O85 Ryd(4d) 0.000023458 - 6.675568677
1116 O85 Ryd(3d) 0.001313442 - 2.905939945
1117 O85 Ryd(4d) 0.000259091 - 7.027201028
1118 O85 Ryd(3d) 0.001822148 - 2.191934773
1119 O85 Ryd(4d) 0.000004120 - 6.797761731
1120 H86 Val(1S) 0.560271522 - 0.370398462
1121 H86 Ryd(3S) 0.000739005 - 1.673630053
1122 H86 Ryd(2S) 0.000161368 - 1.110900896
1123 H86 Ryd(2p) 0.000350912 - 3.055288349
1124 H86 Ryd(2p) 0.001085015 - 1.890396793
1125 H86 Ryd(2p) 0.001629695 - 1.822141506
1126 H87 Val(1S) 0.544165733 - 0.306277885
1127 H87 Ryd(2S) 0.000416899 - 0.566140585
1128 H87 Ryd(3S) 0.000338928 - 2.097090296
1129 H87 Ryd(2p) 0.000838363 - 1.975115565
1130 H87 Ryd(2p) 0.000674107 - 2.803345614
1131 H87 Ryd(2p) 0.001519826 - 1.752527718
1132 O88 Cor(1S) 1.999678725 - -18.824627428
1133 O88 Val(2S) 1.636570412 - -0.887449036
1134 O88 Ryd(4S) 0.000763990 - 1.357617208
1135 O88 Ryd(3S) 0.000238371 - 1.221461532
1136 O88 Ryd(5S) 0.000000270 - 49.619618802
1137 O88 Val(2p) 1.584087017 - -0.262850594
1138 O88 Ryd(3p) 0.006036422 - 0.616783863
1139 O88 Ryd(4p) 0.000173541 - 0.902660489
1140 O88 Ryd(5p) 0.000015793 - 5.679891732
1141 O88 Val(2p) 1.914436957 - -0.311962674
1142 O88 Ryd(3p) 0.003896525 - 0.550894686
1143 O88 Ryd(4p) 0.000211045 - 0.832388657
1144 O88 Ryd(5p) 0.000009153 - 5.108660170
1145 O88 Val(2p) 1.760727779 - -0.300779367
1146 O88 Ryd(3p) 0.003834847 - 0.661096575
1147 O88 Ryd(4p) 0.000216182 - 0.865570610
1148 O88 Ryd(5p) 0.000024971 - 5.411968517
1149 O88 Ryd(3d) 0.001259950 - 1.923289146
1150 O88 Ryd(4d) 0.000025082 - 6.715108326
1151 O88 Ryd(3d) 0.001217866 - 2.096031174
1152 O88 Ryd(4d) 0.000038745 - 6.815106071
1153 O88 Ryd(3d) 0.001828238 - 2.199540389
1154 O88 Ryd(4d) 0.000047025 - 6.853064711
1155 O88 Ryd(3d) 0.001545838 - 2.471310196
1156 O88 Ryd(4d) 0.000089570 - 6.864013829
1157 O88 Ryd(3d) 0.001364578 - 2.255919988
1158 O88 Ryd(4d) 0.000099373 - 6.834000725
1159 H89 Val(1S) 0.553864096 - 0.346497825
1160 H89 Ryd(2S) 0.001072956 - 1.353679909
1161 H89 Ryd(3S) 0.000351769 - 1.541426537
1162 H89 Ryd(2p) 0.000283651 - 3.067099606
1163 H89 Ryd(2p) 0.001321055 - 1.816735360
1164 H89 Ryd(2p) 0.000978046 - 1.877237028
1165 H90 Val(1S) 0.524589992 - 0.292237084
1166 H90 Ryd(2S) 0.001786719 - 1.389426919
1167 H90 Ryd(3S) 0.000280157 - 1.702136836
1168 H90 Ryd(2p) 0.000670971 - 2.003993214
1169 H90 Ryd(2p) 0.000983775 - 2.058421822
1170 H90 Ryd(2p) 0.000611823 - 2.622416832
1171 O91 Cor(1S) 1.999678725 - -18.824627428
1172 O91 Val(2S) 1.636570412 - -0.887449036
1173 O91 Ryd(4S) 0.000763990 - 1.357617208
1174 O91 Ryd(3S) 0.000238371 - 1.221461532
1175 O91 Ryd(5S) 0.000000270 - 49.619618802
1176 O91 Val(2p) 1.584087017 - -0.262850594
1177 O91 Ryd(3p) 0.006036422 - 0.616783863
1178 O91 Ryd(4p) 0.000173541 - 0.902660489
1179 O91 Ryd(5p) 0.000015793 - 5.679891732
1180 O91 Val(2p) 1.914436957 - -0.311962674
1181 O91 Ryd(3p) 0.003896525 - 0.550894686
1182 O91 Ryd(4p) 0.000211045 - 0.832388657
1183 O91 Ryd(5p) 0.000009153 - 5.108660170
1184 O91 Val(2p) 1.760727779 - -0.300779367
1185 O91 Ryd(3p) 0.003834847 - 0.661096575
1186 O91 Ryd(4p) 0.000216182 - 0.865570610
1187 O91 Ryd(5p) 0.000024971 - 5.411968517
1188 O91 Ryd(3d) 0.001259950 - 1.923289146
1189 O91 Ryd(4d) 0.000025082 - 6.715108326
1190 O91 Ryd(3d) 0.001217866 - 2.096031174
1191 O91 Ryd(4d) 0.000038745 - 6.815106071
1192 O91 Ryd(3d) 0.001828238 - 2.199540389
1193 O91 Ryd(4d) 0.000047025 - 6.853064711
1194 O91 Ryd(3d) 0.001545838 - 2.471310196
1195 O91 Ryd(4d) 0.000089570 - 6.864013829
1196 O91 Ryd(3d) 0.001364578 - 2.255919988
1197 O91 Ryd(4d) 0.000099373 - 6.834000725
1198 H92 Val(1S) 0.553864096 - 0.346497825
1199 H92 Ryd(2S) 0.001072956 - 1.353679909
1200 H92 Ryd(3S) 0.000351769 - 1.541426537
1201 H92 Ryd(2p) 0.000283651 - 3.067099606
1202 H92 Ryd(2p) 0.001321055 - 1.816735360
1203 H92 Ryd(2p) 0.000978046 - 1.877237028
1204 H93 Val(1S) 0.524589992 - 0.292237084
1205 H93 Ryd(2S) 0.001786719 - 1.389426919
1206 H93 Ryd(3S) 0.000280157 - 1.702136836
1207 H93 Ryd(2p) 0.000670971 - 2.003993214
1208 H93 Ryd(2p) 0.000983775 - 2.058421822
1209 H93 Ryd(2p) 0.000611823 - 2.622416832
1210 O94 Cor(1S) 1.999666375 - -18.856743594
1211 O94 Val(2S) 1.637099712 - -0.922804815
1212 O94 Ryd(3S) 0.001929973 - 0.929097693
1213 O94 Ryd(4S) 0.000475863 - 1.498735366
1214 O94 Ryd(5S) 0.000000171 - 49.564086867
1215 O94 Val(2p) 1.589401287 - -0.296775571
1216 O94 Ryd(3p) 0.007031523 - 0.593453561
1217 O94 Ryd(4p) 0.000307152 - 1.024094517
1218 O94 Ryd(5p) 0.000015890 - 5.676668559
1219 O94 Val(2p) 1.692025932 - -0.326183355
1220 O94 Ryd(3p) 0.003621404 - 0.603255499
1221 O94 Ryd(4p) 0.000388548 - 1.050603359
1222 O94 Ryd(5p) 0.000029902 - 5.493186250
1223 O94 Val(2p) 1.972522366 - -0.351395811
1224 O94 Ryd(3p) 0.005002587 - 0.687555962
1225 O94 Ryd(4p) 0.000233463 - 1.020185483
1226 O94 Ryd(5p) 0.000005119 - 5.024567887
1227 O94 Ryd(3d) 0.001445266 - 2.166662092
1228 O94 Ryd(4d) 0.000060230 - 6.796968704
1229 O94 Ryd(3d) 0.000710991 - 1.886018791
1230 O94 Ryd(4d) 0.000010840 - 6.640001881
1231 O94 Ryd(3d) 0.000998852 - 1.891221247
1232 O94 Ryd(4d) 0.000018740 - 6.683825419
1233 O94 Ryd(3d) 0.001771192 - 2.892240772
1234 O94 Ryd(4d) 0.000147700 - 6.984279685
1235 O94 Ryd(3d) 0.001516303 - 2.196859473
1236 O94 Ryd(4d) 0.000025264 - 6.816806762
1237 H95 Val(1S) 0.546533016 - 0.327459190
1238 H95 Ryd(3S) 0.001064014 - 1.770213273
1239 H95 Ryd(2S) 0.000129727 - 1.261833046
1240 H95 Ryd(2p) 0.000342551 - 3.027819249
1241 H95 Ryd(2p) 0.000857953 - 1.865951644
1242 H95 Ryd(2p) 0.001089710 - 1.829863065
1243 H96 Val(1S) 0.523424081 - 0.262874122
1244 H96 Ryd(3S) 0.001055518 - 1.818449005
1245 H96 Ryd(2S) 0.000095269 - 1.318491545
1246 H96 Ryd(2p) 0.000717934 - 1.961721197
1247 H96 Ryd(2p) 0.000529793 - 2.829649851
1248 H96 Ryd(2p) 0.000908956 - 1.813882985
1249 O97 Cor(1S) 1.999738742 - -18.935578972
1250 O97 Val(2S) 1.666997419 - -0.987114757
1251 O97 Ryd(4S) 0.001134237 - 1.361580233
1252 O97 Ryd(3S) 0.000454345 - 0.568822937
1253 O97 Ryd(5S) 0.000000029 - 49.556974558
1254 O97 Val(2p) 1.912963769 - -0.389473641
1255 O97 Ryd(3p) 0.002717929 - 0.619606864
1256 O97 Ryd(4p) 0.000113837 - 0.653021730
1257 O97 Ryd(5p) 0.000015668 - 5.060131996
1258 O97 Val(2p) 1.838478784 - -0.381461343
1259 O97 Ryd(3p) 0.001536515 - 0.527625658
1260 O97 Ryd(4p) 0.000283486 - 0.701346162
1261 O97 Ryd(5p) 0.000026279 - 5.113251101
1262 O97 Val(2p) 1.457221279 - -0.334261349
1263 O97 Ryd(3p) 0.007450036 - 0.574628833
1264 O97 Ryd(4p) 0.000157713 - 0.749689362
1265 O97 Ryd(5p) 0.000003365 - 5.690340237
1266 O97 Ryd(3d) 0.002700760 - 1.804479040
1267 O97 Ryd(4d) 0.000021873 - 6.636111940
1268 O97 Ryd(3d) 0.000316447 - 2.037315148
1269 O97 Ryd(4d) 0.000083057 - 6.702688558
1270 O97 Ryd(3d) 0.000988223 - 2.438466365
1271 O97 Ryd(4d) 0.000164454 - 6.823837450
1272 O97 Ryd(3d) 0.002501707 - 1.759230570
1273 O97 Ryd(4d) 0.000032615 - 6.670121530
1274 O97 Ryd(3d) 0.000822449 - 2.166660562
1275 O97 Ryd(4d) 0.000025957 - 6.790415381
1276 H98 Val(1S) 0.542950956 - 0.180542490
1277 H98 Ryd(2S) 0.000617389 - 1.063515082
1278 H98 Ryd(3S) 0.000374573 - 1.447206996
1279 H98 Ryd(2p) 0.001291764 - 1.813520063
1280 H98 Ryd(2p) 0.001338810 - 1.912172955
1281 H98 Ryd(2p) 0.000385184 - 2.516263301
1282 H99 Val(1S) 0.542950956 - 0.180542490
1283 H99 Ryd(2S) 0.000617389 - 1.063515082
1284 H99 Ryd(3S) 0.000374573 - 1.447206996
1285 H99 Ryd(2p) 0.001291764 - 1.813520063
1286 H99 Ryd(2p) 0.001338810 - 1.912172955
1287 H99 Ryd(2p) 0.000385184 - 2.516263301
1288 O100 Cor(1S) 1.999723721 - -18.913502444
1289 O100 Val(2S) 1.667882856 - -0.969223358
1290 O100 Ryd(4S) 0.001115774 - 1.443716302
1291 O100 Ryd(3S) 0.000287865 - 0.746269401
1292 O100 Ryd(5S) 0.000000040 - 49.550275949
1293 O100 Val(2p) 1.916988304 - -0.369618830
1294 O100 Ryd(3p) 0.003014207 - 0.662181072
1295 O100 Ryd(4p) 0.000199525 - 0.673541666
1296 O100 Ryd(5p) 0.000013803 - 5.081591830
1297 O100 Val(2p) 1.831614084 - -0.363250042
1298 O100 Ryd(3p) 0.001862477 - 0.642457057
1299 O100 Ryd(4p) 0.000153107 - 0.728211002
1300 O100 Ryd(5p) 0.000028085 - 5.203723835
1301 O100 Val(2p) 1.468724335 - -0.317525381
1302 O100 Ryd(3p) 0.008333463 - 0.569046260
1303 O100 Ryd(4p) 0.000263295 - 0.770437078
1304 O100 Ryd(5p) 0.000003817 - 5.691517397
1305 O100 Ryd(3d) 0.002448975 - 1.908184247
1306 O100 Ryd(4d) 0.000029307 - 6.670277131
1307 O100 Ryd(3d) 0.000558956 - 2.098335590
1308 O100 Ryd(4d) 0.000053185 - 6.703505313
1309 O100 Ryd(3d) 0.000997084 - 2.470395446
1310 O100 Ryd(4d) 0.000131893 - 6.815904002
1311 O100 Ryd(3d) 0.001893377 - 1.842825742
1312 O100 Ryd(4d) 0.000023827 - 6.694984443
1313 O100 Ryd(3d) 0.000658406 - 2.224912868
1314 O100 Ryd(4d) 0.000024316 - 6.814908688
1315 H101 Val(1S) 0.533230901 - 0.213977385
1316 H101 Ryd(3S) 0.000583078 - 1.631915665
1317 H101 Ryd(2S) 0.000241414 - 0.745214739
1318 H101 Ryd(2p) 0.001125130 - 1.850936424
1319 H101 Ryd(2p) 0.000950401 - 2.001227970
1320 H101 Ryd(2p) 0.000322169 - 2.551084558
1321 H102 Val(1S) 0.533230901 - 0.213977385
1322 H102 Ryd(3S) 0.000583078 - 1.631915665
1323 H102 Ryd(2S) 0.000241414 - 0.745214739
1324 H102 Ryd(2p) 0.001125130 - 1.850936424
1325 H102 Ryd(2p) 0.000950401 - 2.001227970
1326 H102 Ryd(2p) 0.000322169 - 2.551084558

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)O1(H2) 1s(33.92%)p1.94(65.97%)d0.00(0.11%) 1.455988148 - -0.359932505
2 BD(1)H2(O1) 2s(99.95%)p0.00(0.05%) 0.552413050 - 0.416299763
3 BD(1)O1(H3) 1s(28.07%)p2.56(71.82%)d0.00(0.11%) 1.437454338 - -0.352049347
4 BD(1)H3(O1) 3s(99.94%)p0.00(0.06%) 0.561979754 - 0.310111124
5 BD(1)O4(H5) 4s(31.35%)p2.19(68.54%)d0.00(0.11%) 1.435906489 - -0.438017958
6 BD(1)H5(O4) 5s(99.96%)p0.00(0.04%) 0.563572055 - 0.303405497
7 BD(1)O4(H6) 4s(29.42%)p2.40(70.47%)d0.00(0.11%) 1.461784860 - -0.462247291
8 BD(1)H6(O4) 6s(99.94%)p0.00(0.06%) 0.537612304 - 0.247431479
9 BD(1)O7(H8) 7s(31.35%)p2.19(68.54%)d0.00(0.11%) 1.435906489 - -0.438017958
10 BD(1)H8(O7) 8s(99.96%)p0.00(0.04%) 0.563572055 - 0.303405497
11 BD(1)O7(H9) 7s(29.42%)p2.40(70.47%)d0.00(0.11%) 1.461784860 - -0.462247291
12 BD(1)H9(O7) 9s(99.94%)p0.00(0.06%) 0.537612304 - 0.247431479
13 BD(1)O10(H11) 10s(32.41%)p2.08(67.48%)d0.00(0.11%) 1.443816517 - -0.384647778
14 BD(1)H11(O10) 11s(99.95%)p0.00(0.05%) 0.563501944 - 0.364091007
15 BD(1)O10(H12) 10s(31.61%)p2.16(68.28%)d0.00(0.11%) 1.482310572 - -0.417199034
16 BD(1)H12(O10) 12s(99.93%)p0.00(0.07%) 0.532723882 - 0.318271854
17 BD(1)O13(H14) 13s(29.87%)p2.34(70.03%)d0.00(0.11%) 1.458840982 - -0.495435469
18 BD(1)H14(O13) 14s(99.94%)p0.00(0.06%) 0.540734823 - 0.203177760
19 BD(1)O13(H15) 13s(29.87%)p2.34(70.03%)d0.00(0.11%) 1.458840982 - -0.495435469
20 BD(1)H15(O13) 15s(99.94%)p0.00(0.06%) 0.540734823 - 0.203177760
21 BD(1)O16(H17) 16s(31.87%)p2.13(68.02%)d0.00(0.10%) 1.489519769 - -0.437513959
22 BD(1)H17(O16) 17s(99.93%)p0.00(0.07%) 0.525729236 - 0.305126651
23 BD(1)O16(H18) 16s(31.87%)p2.13(68.02%)d0.00(0.10%) 1.489519769 - -0.437513959
24 BD(1)H18(O16) 18s(99.93%)p0.00(0.07%) 0.525729236 - 0.305126651
25 BD(1)H19(O20) 19s(99.94%)p0.00(0.06%) 0.543465546 - 0.186873762
26 BD(1)O20(H19) 20s(29.69%)p2.37(70.21%)d0.00(0.11%) 1.455853315 - -0.506504142
27 BD(1)O20(H21) 20s(29.69%)p2.36(70.20%)d0.00(0.11%) 1.456095719 - -0.506565385
28 BD(1)H21(O20) 21s(99.94%)p0.00(0.06%) 0.543219654 - 0.187339179
29 BD(1)H22(O23) 22s(99.94%)p0.00(0.06%) 0.543465546 - 0.186873762
30 BD(1)O23(H22) 23s(29.69%)p2.37(70.21%)d0.00(0.11%) 1.455853315 - -0.506504142
31 BD(1)O23(H24) 23s(29.69%)p2.36(70.20%)d0.00(0.11%) 1.456095719 - -0.506565385
32 BD(1)H24(O23) 24s(99.94%)p0.00(0.06%) 0.543219654 - 0.187339179
33 BD(1)H25(O26) 25s(99.94%)p0.00(0.06%) 0.526786857 - 0.296912312
34 BD(1)O26(H25) 26s(31.61%)p2.16(68.29%)d0.00(0.11%) 1.486926823 - -0.440652493
35 BD(1)O26(H27) 26s(32.32%)p2.09(67.57%)d0.00(0.10%) 1.497915157 - -0.446281719
36 BD(1)H27(O26) 27s(99.93%)p0.00(0.07%) 0.519071244 - 0.311353444
37 BD(1)H28(O29) 28s(99.94%)p0.00(0.06%) 0.526786857 - 0.296912312
38 BD(1)O29(H28) 29s(31.61%)p2.16(68.29%)d0.00(0.11%) 1.486926823 - -0.440652493
39 BD(1)O29(H30) 29s(32.32%)p2.09(67.57%)d0.00(0.10%) 1.497915157 - -0.446281719
40 BD(1)H30(O29) 30s(99.93%)p0.00(0.07%) 0.519071244 - 0.311353444
41 BD(1)O31(H32) 31s(33.81%)p1.95(66.08%)d0.00(0.11%) 1.455933135 - -0.363705486
42 BD(1)H32(O31) 32s(99.95%)p0.00(0.05%) 0.552520607 - 0.412189550
43 BD(1)O31(H33) 31s(28.63%)p2.49(71.26%)d0.00(0.11%) 1.450479366 - -0.361620054
44 BD(1)H33(O31) 33s(99.94%)p0.00(0.06%) 0.548927595 - 0.326575714
45 BD(1)O34(H35) 34s(28.56%)p2.50(71.33%)d0.00(0.11%) 1.447492562 - -0.372513468
46 BD(1)H35(O34) 35s(99.94%)p0.00(0.06%) 0.551969340 - 0.309375310
47 BD(1)O34(H36) 34s(33.75%)p1.96(66.15%)d0.00(0.11%) 1.454571161 - -0.374718808
48 BD(1)H36(O34) 36s(99.95%)p0.00(0.05%) 0.553487440 - 0.398483018
49 BD(1)O37(H38) 37s(32.46%)p2.08(67.43%)d0.00(0.11%) 1.458230566 - -0.432249218
50 BD(1)H38(O37) 38s(99.96%)p0.00(0.04%) 0.549914928 - 0.345456817
51 BD(1)O37(H39) 37s(32.06%)p2.12(67.84%)d0.00(0.10%) 1.501768480 - -0.467197437
52 BD(1)H39(O37) 39s(99.93%)p0.00(0.07%) 0.516026273 - 0.303163148
53 BD(1)O40(H41) 40s(32.71%)p2.05(67.18%)d0.00(0.11%) 1.454798295 - -0.406485313
54 BD(1)H41(O40) 41s(99.96%)p0.00(0.04%) 0.553374631 - 0.362759805
55 BD(1)O40(H42) 40s(31.43%)p2.18(68.47%)d0.00(0.11%) 1.485401548 - -0.434760843
56 BD(1)H42(O40) 42s(99.94%)p0.00(0.06%) 0.528742374 - 0.304781216
57 BD(1)O43(H44) 43s(29.94%)p2.34(69.96%)d0.00(0.10%) 1.460553728 - -0.485927249
58 BD(1)H44(O43) 44s(99.94%)p0.00(0.06%) 0.538998018 - 0.215893850
59 BD(1)O43(H45) 43s(29.76%)p2.36(70.14%)d0.00(0.11%) 1.457557297 - -0.484470597
60 BD(1)H45(O43) 45s(99.94%)p0.00(0.06%) 0.541895231 - 0.212077977
61 BD(1)O46(H47) 46s(28.76%)p2.47(71.14%)d0.00(0.11%) 1.456462979 - -0.439046912
62 BD(1)H47(O46) 47s(99.96%)p0.00(0.04%) 0.543134250 - 0.246653709
63 BD(1)O46(H48) 46s(33.21%)p2.01(66.68%)d0.00(0.11%) 1.502025252 - -0.473198426
64 BD(1)H48(O46) 48s(99.94%)p0.00(0.06%) 0.515372958 - 0.293235111
65 BD(1)H49(O50) 49s(99.94%)p0.00(0.06%) 0.537200877 - 0.211739763
66 BD(1)O50(H49) 50s(29.98%)p2.33(69.91%)d0.00(0.10%) 1.462276434 - -0.494144928
67 BD(1)O50(H51) 50s(29.87%)p2.34(70.03%)d0.00(0.10%) 1.460080014 - -0.493022325
68 BD(1)H51(O50) 51s(99.94%)p0.00(0.06%) 0.539479532 - 0.208015720
69 BD(1)H52(O53) 52s(99.93%)p0.00(0.07%) 0.523741375 - 0.302507294
70 BD(1)O53(H52) 53s(32.01%)p2.12(67.89%)d0.00(0.10%) 1.491772622 - -0.444464537
71 BD(1)O53(H54) 53s(31.75%)p2.15(68.15%)d0.00(0.10%) 1.487632163 - -0.442489583
72 BD(1)H54(O53) 54s(99.93%)p0.00(0.07%) 0.527055117 - 0.296915985
73 BD(1)O55(H56) 55s(33.81%)p1.95(66.08%)d0.00(0.11%) 1.455933135 - -0.363705486
74 BD(1)H56(O55) 56s(99.95%)p0.00(0.05%) 0.552520607 - 0.412189550
75 BD(1)O55(H57) 55s(28.63%)p2.49(71.26%)d0.00(0.11%) 1.450479366 - -0.361620054
76 BD(1)H57(O55) 57s(99.94%)p0.00(0.06%) 0.548927595 - 0.326575714
77 BD(1)O58(H59) 58s(33.75%)p1.96(66.15%)d0.00(0.11%) 1.454571161 - -0.374718808
78 BD(1)H59(O58) 59s(99.95%)p0.00(0.05%) 0.553487440 - 0.398483018
79 BD(1)O58(H60) 58s(28.56%)p2.50(71.33%)d0.00(0.11%) 1.447492562 - -0.372513468
80 BD(1)H60(O58) 60s(99.94%)p0.00(0.06%) 0.551969340 - 0.309375310
81 BD(1)O61(H62) 61s(32.46%)p2.08(67.43%)d0.00(0.11%) 1.458230566 - -0.432249218
82 BD(1)H62(O61) 62s(99.96%)p0.00(0.04%) 0.549914928 - 0.345456817
83 BD(1)O61(H63) 61s(32.06%)p2.12(67.84%)d0.00(0.10%) 1.501768480 - -0.467197437
84 BD(1)H63(O61) 63s(99.93%)p0.00(0.07%) 0.516026273 - 0.303163148
85 BD(1)O64(H65) 64s(32.71%)p2.05(67.18%)d0.00(0.11%) 1.454798295 - -0.406485313
86 BD(1)H65(O64) 65s(99.96%)p0.00(0.04%) 0.553374631 - 0.362759805
87 BD(1)O64(H66) 64s(31.43%)p2.18(68.47%)d0.00(0.11%) 1.485401548 - -0.434760843
88 BD(1)H66(O64) 66s(99.94%)p0.00(0.06%) 0.528742374 - 0.304781216
89 BD(1)O67(H68) 67s(29.94%)p2.34(69.96%)d0.00(0.10%) 1.460553728 - -0.485927249
90 BD(1)H68(O67) 68s(99.94%)p0.00(0.06%) 0.538998018 - 0.215893850
91 BD(1)O67(H69) 67s(29.76%)p2.36(70.14%)d0.00(0.11%) 1.457557297 - -0.484470597
92 BD(1)H69(O67) 69s(99.94%)p0.00(0.06%) 0.541895231 - 0.212077977
93 BD(1)O70(H71) 70s(33.21%)p2.01(66.68%)d0.00(0.11%) 1.502025252 - -0.473198426
94 BD(1)H71(O70) 71s(99.94%)p0.00(0.06%) 0.515372958 - 0.293235111
95 BD(1)O70(H72) 70s(28.76%)p2.47(71.14%)d0.00(0.11%) 1.456462979 - -0.439046912
96 BD(1)H72(O70) 72s(99.96%)p0.00(0.04%) 0.543134250 - 0.246653709
97 BD(1)H73(O74) 73s(99.94%)p0.00(0.06%) 0.537200877 - 0.211739763
98 BD(1)O74(H73) 74s(29.98%)p2.33(69.91%)d0.00(0.10%) 1.462276434 - -0.494144928
99 BD(1)O74(H75) 74s(29.87%)p2.34(70.03%)d0.00(0.10%) 1.460080014 - -0.493022325
100 BD(1)H75(O74) 75s(99.94%)p0.00(0.06%) 0.539479532 - 0.208015720
101 BD(1)H76(O77) 76s(99.93%)p0.00(0.07%) 0.523741375 - 0.302507294
102 BD(1)O77(H76) 77s(32.01%)p2.12(67.89%)d0.00(0.10%) 1.491772622 - -0.444464537
103 BD(1)O77(H78) 77s(31.75%)p2.15(68.15%)d0.00(0.10%) 1.487632163 - -0.442489583
104 BD(1)H78(O77) 78s(99.93%)p0.00(0.07%) 0.527055117 - 0.296915985
105 BD(1)O79(H80) 79s(33.80%)p1.96(66.10%)d0.00(0.11%) 1.454063756 - -0.357568040
106 BD(1)H80(O79) 80s(99.95%)p0.00(0.05%) 0.554110720 - 0.414681635
107 BD(1)O79(H81) 79s(28.25%)p2.54(71.64%)d0.00(0.11%) 1.441821471 - -0.352415004
108 BD(1)H81(O79) 81s(99.94%)p0.00(0.06%) 0.557568877 - 0.318633910
109 BD(1)O82(H83) 82s(33.80%)p1.96(66.10%)d0.00(0.11%) 1.454063756 - -0.357568040
110 BD(1)H83(O82) 83s(99.95%)p0.00(0.05%) 0.554110720 - 0.414681635
111 BD(1)O82(H84) 82s(28.25%)p2.54(71.64%)d0.00(0.11%) 1.441821471 - -0.352415004
112 BD(1)H84(O82) 84s(99.94%)p0.00(0.06%) 0.557568877 - 0.318633910
113 BD(1)O85(H86) 85s(33.28%)p2.00(66.62%)d0.00(0.11%) 1.446331942 - -0.376301672
114 BD(1)H86(O85) 86s(99.95%)p0.00(0.05%) 0.560525965 - 0.380407652
115 BD(1)O85(H87) 85s(28.96%)p2.45(70.93%)d0.00(0.11%) 1.454897866 - -0.381934560
116 BD(1)H87(O85) 87s(99.93%)p0.00(0.07%) 0.544523931 - 0.314760471
117 BD(1)O88(H89) 88s(32.56%)p2.07(67.33%)d0.00(0.11%) 1.454028863 - -0.410812749
118 BD(1)H89(O88) 89s(99.96%)p0.00(0.04%) 0.554057950 - 0.356671559
119 BD(1)O88(H90) 88s(31.73%)p2.15(68.16%)d0.00(0.11%) 1.491293122 - -0.443113311
120 BD(1)H90(O88) 90s(99.94%)p0.00(0.06%) 0.524847706 - 0.306615751
121 BD(1)O91(H92) 91s(32.56%)p2.07(67.33%)d0.00(0.11%) 1.454028863 - -0.410812749
122 BD(1)H92(O91) 92s(99.96%)p0.00(0.04%) 0.554057950 - 0.356671559
123 BD(1)O91(H93) 91s(31.73%)p2.15(68.16%)d0.00(0.11%) 1.491293122 - -0.443113311
124 BD(1)H93(O91) 93s(99.94%)p0.00(0.06%) 0.524847706 - 0.306615751
125 BD(1)O94(H95) 94s(32.80%)p2.05(67.10%)d0.00(0.10%) 1.461985299 - -0.447718460
126 BD(1)H95(O94) 95s(99.95%)p0.00(0.05%) 0.546759413 - 0.337902532
127 BD(1)O94(H96) 94s(31.38%)p2.18(68.52%)d0.00(0.10%) 1.489857016 - -0.474705452
128 BD(1)H96(O94) 96s(99.93%)p0.00(0.07%) 0.523728148 - 0.274156864
129 BD(1)O97(H98) 97s(29.69%)p2.36(70.20%)d0.00(0.11%) 1.456041090 - -0.505621451
130 BD(1)H98(O97) 98s(99.94%)p0.00(0.06%) 0.543267884 - 0.188082383
131 BD(1)O97(H99) 97s(29.69%)p2.36(70.20%)d0.00(0.11%) 1.456041090 - -0.505621451
132 BD(1)H99(O97) 99s(99.94%)p0.00(0.06%) 0.543267884 - 0.188082383
133 BD(1)O100(H101) 100s(29.88%)p2.34(70.02%)d0.00(0.11%) 1.466054041 - -0.489027408
134 BD(1)H101(O100) 101s(99.95%)p0.00(0.05%) 0.533492023 - 0.220831762
135 BD(1)O100(H102) 100s(29.88%)p2.34(70.02%)d0.00(0.11%) 1.466054041 - -0.489027408
136 BD(1)H102(O100) 102s(99.95%)p0.00(0.05%) 0.533492023 - 0.220831762
137 CR(1)O1 s(100.00%) 1.999715099 - -18.772553396
138 CR(1)O4 s(100.00%)p0.00(0.00%) 1.999708637 - -18.872640517
139 CR(1)O7 s(100.00%)p0.00(0.00%) 1.999708637 - -18.872640517
140 CR(1)O10 s(100.00%) 1.999706582 - -18.803166361
141 CR(1)O13 s(100.00%) 1.999742153 - -18.923037809
142 CR(1)O16 s(100.00%)p0.00(0.00%) 1.999693970 - -18.834546630
143 CR(1)O20 s(100.00%) 1.999739163 - -18.936439595
144 CR(1)O23 s(100.00%) 1.999739163 - -18.936439595
145 CR(1)O26 s(100.00%)p0.00(0.00%) 1.999692387 - -18.839130351
146 CR(1)O29 s(100.00%)p0.00(0.00%) 1.999692387 - -18.839130351
147 CR(1)O31 s(100.00%) 1.999715256 - -18.776071075
148 CR(1)O34 s(100.00%) 1.999717303 - -18.788070030
149 CR(1)O37 s(100.00%)p0.00(0.00%) 1.999662415 - -18.842867339
150 CR(1)O40 s(100.00%)p0.00(0.00%) 1.999680177 - -18.819750194
151 CR(1)O43 s(100.00%) 1.999740874 - -18.912933797
152 CR(1)O46 s(100.00%)p0.00(0.00%) 1.999705165 - -18.864574132
153 CR(1)O50 s(100.00%) 1.999740213 - -18.920317927
154 CR(1)O53 s(100.00%)p0.00(0.00%) 1.999693345 - -18.840629390
155 CR(1)O55 s(100.00%) 1.999715256 - -18.776071075
156 CR(1)O58 s(100.00%) 1.999717303 - -18.788070030
157 CR(1)O61 s(100.00%)p0.00(0.00%) 1.999662415 - -18.842867339
158 CR(1)O64 s(100.00%)p0.00(0.00%) 1.999680177 - -18.819750194
159 CR(1)O67 s(100.00%) 1.999740874 - -18.912933797
160 CR(1)O70 s(100.00%)p0.00(0.00%) 1.999705165 - -18.864574132
161 CR(1)O74 s(100.00%) 1.999740213 - -18.920317927
162 CR(1)O77 s(100.00%)p0.00(0.00%) 1.999693345 - -18.840629390
163 CR(1)O79 s(100.00%) 1.999715643 - -18.771105869
164 CR(1)O82 s(100.00%) 1.999715643 - -18.771105869
165 CR(1)O85 s(100.00%) 1.999719211 - -18.794324526
166 CR(1)O88 s(100.00%)p0.00(0.00%) 1.999678574 - -18.824734368
167 CR(1)O91 s(100.00%)p0.00(0.00%) 1.999678574 - -18.824734368
168 CR(1)O94 s(100.00%)p0.00(0.00%) 1.999666142 - -18.856595793
169 CR(1)O97 s(100.00%) 1.999738623 - -18.935569456
170 CR(1)O100 s(100.00%)p0.00(0.00%) 1.999723485 - -18.913347006
171 LP(1)O1 s(37.97%)p1.63(61.92%)d0.00(0.12%) 1.996689118 - -0.507545764
172 LP(2)O1 s(0.00%)p1.00(99.86%)d0.00(0.14%) 1.994649284 - -0.261004680
173 LP(1)O4 s(21.84%)p3.57(78.04%)d0.01(0.13%) 1.996671219 - -0.496906384
174 LP(2)O4 s(17.38%)p4.75(82.51%)d0.01(0.11%) 1.981754393 - -0.474065114
175 LP(1)O7 s(21.84%)p3.57(78.04%)d0.01(0.13%) 1.996671219 - -0.496906384
176 LP(2)O7 s(17.38%)p4.75(82.51%)d0.01(0.11%) 1.981754393 - -0.474065114
177 LP(1)O10 s(35.92%)p1.78(63.97%)d0.00(0.11%) 1.996490228 - -0.535164338
178 LP(2)O10 s(0.00%)p1.00(99.87%)d0.00(0.13%) 1.993174234 - -0.299281055
179 LP(1)O13 s(24.14%)p3.14(75.75%)d0.00(0.11%) 1.997044188 - -0.543352306
180 LP(2)O13 s(16.09%)p5.21(83.81%)d0.01(0.10%) 1.989012820 - -0.490956255
181 LP(1)O16 s(24.61%)p3.06(75.30%)d0.00(0.08%) 1.986646236 - -0.473852129
182 LP(2)O16 s(11.60%)p7.62(88.32%)d0.01(0.08%) 1.979077946 - -0.389410032
183 LP(1)O20 s(24.99%)p3.00(74.90%)d0.00(0.12%) 1.996352106 - -0.558281168
184 LP(2)O20 s(15.62%)p5.40(84.28%)d0.01(0.10%) 1.987585875 - -0.501253048
185 LP(1)O23 s(24.99%)p3.00(74.90%)d0.00(0.12%) 1.996352106 - -0.558281168
186 LP(2)O23 s(15.62%)p5.40(84.28%)d0.01(0.10%) 1.987585875 - -0.501253048
187 LP(1)O26 s(23.01%)p3.34(76.91%)d0.00(0.08%) 1.986959639 - -0.468267722
188 LP(2)O26 s(13.02%)p6.68(86.92%)d0.01(0.07%) 1.976234827 - -0.404849491
189 LP(1)O29 s(23.01%)p3.34(76.91%)d0.00(0.08%) 1.986959639 - -0.468267722
190 LP(2)O29 s(13.02%)p6.68(86.92%)d0.01(0.07%) 1.976234827 - -0.404849491
191 LP(1)O31 s(37.40%)p1.67(62.49%)d0.00(0.11%) 1.997107474 - -0.512285800
192 LP(2)O31 s(0.10%)p99.99(99.76%)d1.30(0.13%) 1.994760278 - -0.266453757
193 LP(1)O34 s(37.63%)p1.65(62.27%)d0.00(0.11%) 1.997131908 - -0.524648174
194 LP(2)O34 s(0.02%)p99.99(99.84%)d5.62(0.14%) 1.995076631 - -0.277382617
195 LP(1)O37 s(35.24%)p1.84(64.67%)d0.00(0.09%) 1.980062876 - -0.577423474
196 LP(2)O37 s(0.19%)p99.99(99.73%)d0.39(0.08%) 1.977835657 - -0.341659989
197 LP(1)O40 s(20.29%)p3.92(79.60%)d0.01(0.12%) 1.995618732 - -0.447112253
198 LP(2)O40 s(15.53%)p5.43(84.38%)d0.01(0.10%) 1.976361657 - -0.421523293
199 LP(1)O43 s(24.07%)p3.15(75.81%)d0.00(0.11%) 1.997033039 - -0.531240701
200 LP(2)O43 s(16.21%)p5.16(83.69%)d0.01(0.10%) 1.987974767 - -0.482816022
201 LP(1)O46 s(24.83%)p3.02(75.09%)d0.00(0.08%) 1.988104428 - -0.499328742
202 LP(2)O46 s(13.16%)p6.59(86.76%)d0.01(0.08%) 1.981133894 - -0.424321840
203 LP(1)O50 s(23.86%)p3.19(76.04%)d0.00(0.11%) 1.997044422 - -0.539112679
204 LP(2)O50 s(16.26%)p5.14(83.64%)d0.01(0.10%) 1.988127298 - -0.490752054
205 LP(1)O53 s(23.68%)p3.22(76.24%)d0.00(0.08%) 1.986919252 - -0.473093147
206 LP(2)O53 s(12.53%)p6.98(87.40%)d0.01(0.08%) 1.977845207 - -0.401968044
207 LP(1)O55 s(37.40%)p1.67(62.49%)d0.00(0.11%) 1.997107474 - -0.512285800
208 LP(2)O55 s(0.10%)p99.99(99.76%)d1.30(0.13%) 1.994760278 - -0.266453757
209 LP(1)O58 s(37.63%)p1.65(62.27%)d0.00(0.11%) 1.997131908 - -0.524648174
210 LP(2)O58 s(0.02%)p99.99(99.84%)d5.62(0.14%) 1.995076631 - -0.277382617
211 LP(1)O61 s(35.24%)p1.84(64.67%)d0.00(0.09%) 1.980062876 - -0.577423474
212 LP(2)O61 s(0.19%)p99.99(99.73%)d0.39(0.08%) 1.977835657 - -0.341659989
213 LP(1)O64 s(20.29%)p3.92(79.60%)d0.01(0.12%) 1.995618732 - -0.447112253
214 LP(2)O64 s(15.53%)p5.43(84.38%)d0.01(0.10%) 1.976361657 - -0.421523293
215 LP(1)O67 s(24.07%)p3.15(75.81%)d0.00(0.11%) 1.997033039 - -0.531240701
216 LP(2)O67 s(16.21%)p5.16(83.69%)d0.01(0.10%) 1.987974767 - -0.482816022
217 LP(1)O70 s(24.83%)p3.02(75.09%)d0.00(0.08%) 1.988104428 - -0.499328742
218 LP(2)O70 s(13.16%)p6.59(86.76%)d0.01(0.08%) 1.981133894 - -0.424321840
219 LP(1)O74 s(23.86%)p3.19(76.04%)d0.00(0.11%) 1.997044422 - -0.539112679
220 LP(2)O74 s(16.26%)p5.14(83.64%)d0.01(0.10%) 1.988127298 - -0.490752054
221 LP(1)O77 s(23.68%)p3.22(76.24%)d0.00(0.08%) 1.986919252 - -0.473093147
222 LP(2)O77 s(12.53%)p6.98(87.40%)d0.01(0.08%) 1.977845207 - -0.401968044
223 LP(1)O79 s(37.87%)p1.64(62.01%)d0.00(0.11%) 1.996684757 - -0.505918894
224 LP(2)O79 s(0.04%)p99.99(99.81%)d3.29(0.14%) 1.994313906 - -0.260178607
225 LP(1)O82 s(37.87%)p1.64(62.01%)d0.00(0.11%) 1.996684757 - -0.505918894
226 LP(2)O82 s(0.04%)p99.99(99.81%)d3.29(0.14%) 1.994313906 - -0.260178607
227 LP(1)O85 s(37.72%)p1.65(62.17%)d0.00(0.11%) 1.997210928 - -0.530912486
228 LP(2)O85 s(0.00%)p1.00(99.86%)d0.00(0.14%) 1.994867349 - -0.282987060
229 LP(1)O88 s(19.91%)p4.02(79.98%)d0.01(0.11%) 1.995606716 - -0.450623733
230 LP(2)O88 s(15.74%)p5.35(84.17%)d0.01(0.09%) 1.975821836 - -0.429272091
231 LP(1)O91 s(19.91%)p4.02(79.98%)d0.01(0.11%) 1.995606716 - -0.450623733
232 LP(2)O91 s(15.74%)p5.35(84.17%)d0.01(0.09%) 1.975821836 - -0.429272091
233 LP(1)O94 s(35.78%)p1.79(64.13%)d0.00(0.09%) 1.980812765 - -0.592871229
234 LP(2)O94 s(0.00%)p1.00(99.92%)d0.00(0.08%) 1.978652311 - -0.353246392
235 LP(1)O97 s(25.16%)p2.97(74.72%)d0.00(0.12%) 1.996278296 - -0.557370511
236 LP(2)O97 s(15.44%)p5.47(84.46%)d0.01(0.10%) 1.987013284 - -0.500045767
237 LP(1)O100 s(26.89%)p2.72(73.02%)d0.00(0.09%) 1.989783261 - -0.551574030
238 LP(2)O100 s(13.34%)p6.49(86.58%)d0.01(0.08%) 1.982185887 - -0.466778088
239 RY*(1)O1 s(0.00%)p1.00(99.98%)d0.00(0.02%) 0.000323850 - 0.463669376
240 RY*(2)O1 s(78.62%)p0.23(17.81%)d0.05(3.57%) 0.000310825 - 0.842838385
241 RY*(3)O1 s(13.20%)p6.15(81.15%)d0.43(5.65%) 0.000150393 - 0.694966145
242 RY*(4)O1 s(25.81%)p2.50(64.42%)d0.38(9.76%) 0.000055977 - 1.053095795
243 RY*(5)O1 s(1.93%)p46.74(90.26%)d4.04(7.81%) 0.000039059 - 0.782351997
244 RY*(6)O1 s(0.05%)p99.99(99.93%)d0.45(0.02%) 0.000001714 - 5.680665464
245 RY*(7)O1 s(99.97%)p0.00(0.02%)d0.00(0.01%) 0.000000010 - 49.695236976
246 RY*(8)O1 s(76.20%)p0.31(23.31%)d0.01(0.49%) 0.000004613 - 1.474796587
247 RY*(9)O1 s(0.19%)p99.99(99.76%)d0.27(0.05%) 0.000002491 - 5.461415543
248 RY*(10)O1 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000008866 - 1.078968543
249 RY*(11)O1 s(2.34%)p40.98(95.72%)d0.83(1.95%) 0.000001803 - 1.115848530
250 RY*(12)O1 s(0.00%)p1.00(100.00%) 0.000000509 - 4.993050876
251 RY*(13)O1 s(0.73%)p16.07(11.77%)d99.99(87.50%) 0.000003244 - 2.081950930
252 RY*(14)O1 s(0.03%)p18.74(0.59%)d99.99(99.38%) 0.000000360 - 6.881385112
253 RY*(15)O1 s(0.00%)p1.00(0.05%)d99.99(99.95%) 0.000003675 - 1.866652977
254 RY*(16)O1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000806 - 6.721966923
255 RY*(17)O1 s(0.00%)p1.00(0.11%)d99.99(99.89%) 0.000000279 - 1.823420067
256 RY*(18)O1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000057 - 6.708473693
257 RY*(19)O1 s(0.55%)p17.68(9.68%)d99.99(89.77%) 0.000001543 - 2.866606984
258 RY*(20)O1 s(0.11%)p22.19(2.51%)d99.99(97.38%) 0.000000090 - 6.898304071
259 RY*(21)O1 s(0.21%)p14.71(3.11%)d99.99(96.67%) 0.000003641 - 2.130129849
260 RY*(22)O1 s(0.09%)p2.72(0.25%)d99.99(99.66%) 0.000000081 - 6.800632690
261 RY*(1)H2 s(0.00%)p1.00(100.00%) 0.001477731 - 1.857321263
262 RY*(2)H2 s(35.58%)p1.81(64.42%) 0.001457755 - 1.712464178
263 RY*(3)H2 s(64.87%)p0.54(35.13%) 0.000857004 - 1.989863294
264 RY*(4)H2 s(95.78%)p0.04(4.22%) 0.000233788 - 1.457154503
265 RY*(5)H2 s(3.82%)p25.14(96.18%) 0.000013291 - 2.848493075
266 RY*(1)H3 s(0.00%)p1.00(100.00%) 0.001719103 - 1.757027687
267 RY*(2)H3 s(2.04%)p48.05(97.96%) 0.001300578 - 1.865114938
268 RY*(3)H3 s(97.88%)p0.02(2.12%) 0.000399529 - 1.444575184
269 RY*(4)H3 s(96.41%)p0.04(3.59%) 0.000190763 - 1.281087244
270 RY*(5)H3 s(3.74%)p25.73(96.26%) 0.000002182 - 2.816985440
271 RY*(1)O4 s(21.63%)p3.44(74.46%)d0.18(3.91%) 0.000641058 - 0.542565343
272 RY*(2)O4 s(9.59%)p9.09(87.13%)d0.34(3.28%) 0.000431118 - 0.442005877
273 RY*(3)O4 s(49.82%)p0.56(27.85%)d0.45(22.33%) 0.000312868 - 0.884559745
274 RY*(4)O4 s(26.05%)p2.37(61.79%)d0.47(12.16%) 0.000057670 - 0.858481668
275 RY*(5)O4 s(6.77%)p9.85(66.73%)d3.91(26.50%) 0.000032152 - 1.056416050
276 RY*(6)O4 s(11.39%)p6.72(76.60%)d1.05(12.01%) 0.000020508 - 1.204366047
277 RY*(7)O4 s(34.53%)p1.72(59.49%)d0.17(5.97%) 0.000003585 - 1.300404466
278 RY*(8)O4 s(99.95%)p0.00(0.04%)d0.00(0.02%) 0.000000006 - 49.653095823
279 RY*(9)O4 s(0.32%)p99.99(99.56%)d0.40(0.13%) 0.000000827 - 5.079907818
280 RY*(10)O4 s(0.29%)p99.99(99.51%)d0.67(0.20%) 0.000001102 - 5.602110882
281 RY*(11)O4 s(17.44%)p4.71(82.10%)d0.03(0.46%) 0.000003792 - 0.892261911
282 RY*(12)O4 s(0.98%)p99.99(98.91%)d0.11(0.11%) 0.000001642 - 5.224036389
283 RY*(13)O4 s(6.64%)p1.46(9.68%)d12.61(83.68%) 0.000002547 - 1.648218367
284 RY*(14)O4 s(0.56%)p1.30(0.73%)d99.99(98.71%) 0.000000240 - 6.625851164
285 RY*(15)O4 s(0.26%)p26.45(6.87%)d99.99(92.87%) 0.000003353 - 1.946341764
286 RY*(16)O4 s(0.36%)p1.30(0.47%)d99.99(99.17%) 0.000000287 - 6.705888276
287 RY*(17)O4 s(2.07%)p3.93(8.15%)d43.33(89.78%) 0.000001912 - 2.015556152
288 RY*(18)O4 s(0.22%)p6.38(1.41%)d99.99(98.37%) 0.000000087 - 6.698201170
289 RY*(19)O4 s(8.30%)p1.99(16.51%)d9.06(75.19%) 0.000003828 - 2.119067459
290 RY*(20)O4 s(0.19%)p18.97(3.67%)d99.99(96.13%) 0.000000434 - 6.624523796
291 RY*(21)O4 s(2.48%)p6.06(15.03%)d33.28(82.49%) 0.000001531 - 2.131091639
292 RY*(22)O4 s(0.17%)p22.44(3.74%)d99.99(96.09%) 0.000000201 - 6.595085917
293 RY*(1)H5 s(0.47%)p99.99(99.53%) 0.001712219 - 1.732415335
294 RY*(2)H5 s(5.43%)p17.41(94.57%) 0.001218584 - 1.828921906
295 RY*(3)H5 s(94.92%)p0.05(5.08%) 0.000470481 - 1.616327312
296 RY*(4)H5 s(95.75%)p0.04(4.25%) 0.000253800 - 0.850434661
297 RY*(5)H5 s(3.47%)p27.82(96.53%) 0.000006292 - 2.798225091
298 RY*(1)H6 s(0.24%)p99.99(99.76%) 0.001456168 - 1.716282605
299 RY*(2)H6 s(4.83%)p19.70(95.17%) 0.001115374 - 1.848461788
300 RY*(3)H6 s(95.40%)p0.05(4.60%) 0.000487922 - 0.855555387
301 RY*(4)H6 s(96.45%)p0.04(3.55%) 0.000373274 - 1.715389420
302 RY*(5)H6 s(3.14%)p30.84(96.86%) 0.000005675 - 2.744980994
303 RY*(1)O7 s(21.63%)p3.44(74.46%)d0.18(3.91%) 0.000641058 - 0.542565343
304 RY*(2)O7 s(9.59%)p9.09(87.13%)d0.34(3.28%) 0.000431118 - 0.442005877
305 RY*(3)O7 s(49.82%)p0.56(27.85%)d0.45(22.33%) 0.000312868 - 0.884559745
306 RY*(4)O7 s(26.05%)p2.37(61.79%)d0.47(12.16%) 0.000057670 - 0.858481668
307 RY*(5)O7 s(6.77%)p9.85(66.73%)d3.91(26.50%) 0.000032152 - 1.056416050
308 RY*(6)O7 s(11.39%)p6.72(76.60%)d1.05(12.01%) 0.000020508 - 1.204366048
309 RY*(7)O7 s(34.53%)p1.72(59.49%)d0.17(5.97%) 0.000003585 - 1.300404466
310 RY*(8)O7 s(99.95%)p0.00(0.04%)d0.00(0.02%) 0.000000006 - 49.653095823
311 RY*(9)O7 s(0.32%)p99.99(99.56%)d0.40(0.13%) 0.000000827 - 5.079907817
312 RY*(10)O7 s(0.29%)p99.99(99.51%)d0.67(0.20%) 0.000001102 - 5.602110882
313 RY*(11)O7 s(17.44%)p4.71(82.10%)d0.03(0.46%) 0.000003792 - 0.892261910
314 RY*(12)O7 s(0.98%)p99.99(98.91%)d0.11(0.11%) 0.000001642 - 5.224036388
315 RY*(13)O7 s(6.64%)p1.46(9.68%)d12.61(83.68%) 0.000002547 - 1.648218367
316 RY*(14)O7 s(0.56%)p1.30(0.73%)d99.99(98.71%) 0.000000240 - 6.625851164
317 RY*(15)O7 s(0.26%)p26.45(6.87%)d99.99(92.87%) 0.000003353 - 1.946341764
318 RY*(16)O7 s(0.36%)p1.30(0.47%)d99.99(99.17%) 0.000000287 - 6.705888276
319 RY*(17)O7 s(2.07%)p3.93(8.15%)d43.33(89.78%) 0.000001912 - 2.015556152
320 RY*(18)O7 s(0.22%)p6.38(1.41%)d99.99(98.37%) 0.000000087 - 6.698201170
321 RY*(19)O7 s(8.30%)p1.99(16.51%)d9.06(75.19%) 0.000003828 - 2.119067459
322 RY*(20)O7 s(0.19%)p18.97(3.67%)d99.99(96.13%) 0.000000434 - 6.624523796
323 RY*(21)O7 s(2.48%)p6.06(15.03%)d33.28(82.49%) 0.000001531 - 2.131091639
324 RY*(22)O7 s(0.17%)p22.44(3.74%)d99.99(96.09%) 0.000000201 - 6.595085917
325 RY*(1)H8 s(0.47%)p99.99(99.53%) 0.001712219 - 1.732415335
326 RY*(2)H8 s(5.43%)p17.41(94.57%) 0.001218584 - 1.828921906
327 RY*(3)H8 s(94.92%)p0.05(5.08%) 0.000470481 - 1.616327312
328 RY*(4)H8 s(95.75%)p0.04(4.25%) 0.000253800 - 0.850434661
329 RY*(5)H8 s(3.47%)p27.82(96.53%) 0.000006292 - 2.798225091
330 RY*(1)H9 s(0.24%)p99.99(99.76%) 0.001456168 - 1.716282605
331 RY*(2)H9 s(4.83%)p19.70(95.17%) 0.001115374 - 1.848461788
332 RY*(3)H9 s(95.40%)p0.05(4.60%) 0.000487922 - 0.855555387
333 RY*(4)H9 s(96.45%)p0.04(3.55%) 0.000373274 - 1.715389420
334 RY*(5)H9 s(3.14%)p30.84(96.86%) 0.000005675 - 2.744980994
335 RY*(1)O10 s(14.64%)p5.59(81.82%)d0.24(3.53%) 0.000341848 - 0.548477029
336 RY*(2)O10 s(68.21%)p0.42(28.93%)d0.04(2.86%) 0.000285151 - 0.768402241
337 RY*(3)O10 s(0.00%)p1.00(99.95%)d0.00(0.05%) 0.000267276 - 0.443633168
338 RY*(4)O10 s(44.60%)p1.16(51.84%)d0.08(3.56%) 0.000149589 - 0.815019006
339 RY*(5)O10 s(18.51%)p3.93(72.85%)d0.47(8.64%) 0.000094140 - 1.168726871
340 RY*(6)O10 s(0.00%)p1.00(97.48%)d0.03(2.52%) 0.000032558 - 1.083105029
341 RY*(7)O10 s(9.67%)p7.87(76.14%)d1.47(14.19%) 0.000042201 - 1.625095038
342 RY*(8)O10 s(99.95%)p0.00(0.05%)d0.00(0.01%) 0.000000020 - 49.703069356
343 RY*(9)O10 s(0.29%)p99.99(99.60%)d0.42(0.12%) 0.000003532 - 5.344156510
344 RY*(10)O10 s(0.30%)p99.99(99.70%)d0.03(0.01%) 0.000002794 - 5.672203825
345 RY*(11)O10 s(37.39%)p1.62(60.62%)d0.05(1.99%) 0.000008474 - 1.372457454
346 RY*(12)O10 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000888 - 4.952819503
347 RY*(13)O10 s(4.39%)p1.61(7.05%)d20.17(88.56%) 0.000008964 - 2.031860232
348 RY*(14)O10 s(0.12%)p4.47(0.56%)d99.99(99.32%) 0.000000467 - 6.859844113
349 RY*(15)O10 s(0.00%)p1.00(0.08%)d99.99(99.92%) 0.000000890 - 1.833880695
350 RY*(16)O10 s(0.00%)p1.00(0.02%)d99.99(99.98%) 0.000000126 - 6.676725199
351 RY*(17)O10 s(0.00%)p1.00(2.14%)d45.68(97.86%) 0.000002957 - 1.781200367
352 RY*(18)O10 s(0.00%)p1.00(0.47%)d99.99(99.53%) 0.000000585 - 6.652859124
353 RY*(19)O10 s(0.13%)p93.73(11.84%)d99.99(88.03%) 0.000001511 - 2.727013358
354 RY*(20)O10 s(0.08%)p49.04(3.73%)d99.99(96.19%) 0.000000245 - 6.825833441
355 RY*(21)O10 s(1.45%)p3.48(5.06%)d64.39(93.49%) 0.000005992 - 2.018651678
356 RY*(22)O10 s(0.33%)p1.47(0.49%)d99.99(99.18%) 0.000000258 - 6.704834592
357 RY*(1)H11 s(0.00%)p1.00(100.00%) 0.001558926 - 1.800226520
358 RY*(2)H11 s(38.34%)p1.61(61.66%) 0.001457862 - 1.545352997
359 RY*(3)H11 s(67.81%)p0.47(32.19%) 0.000649034 - 1.891319624
360 RY*(4)H11 s(92.13%)p0.09(7.87%) 0.000241092 - 1.463635763
361 RY*(5)H11 s(1.77%)p55.54(98.23%) 0.000030312 - 2.872197159
362 RY*(1)H12 s(80.57%)p0.24(19.43%) 0.001816106 - 1.438413482
363 RY*(2)H12 s(0.00%)p1.00(100.00%) 0.001163001 - 1.802458271
364 RY*(3)H12 s(20.35%)p3.91(79.65%) 0.000880960 - 2.065142546
365 RY*(4)H12 s(95.27%)p0.05(4.73%) 0.000229294 - 1.714164874
366 RY*(5)H12 s(3.88%)p24.76(96.12%) 0.000006394 - 2.707757067
367 RY*(1)O13 s(0.00%)p1.00(97.34%)d0.03(2.66%) 0.001553241 - 0.366662203
368 RY*(2)O13 s(3.52%)p23.37(82.36%)d4.01(14.12%) 0.000366168 - 0.473904507
369 RY*(3)O13 s(80.03%)p0.15(11.69%)d0.10(8.28%) 0.000175286 - 0.747665034
370 RY*(4)O13 s(17.60%)p3.61(63.58%)d1.07(18.82%) 0.000108118 - 0.723427913
371 RY*(5)O13 s(4.89%)p13.42(65.69%)d6.01(29.41%) 0.000030921 - 1.125759245
372 RY*(6)O13 s(12.85%)p5.56(71.41%)d1.22(15.73%) 0.000011459 - 1.624997473
373 RY*(7)O13 s(0.00%)p1.00(94.30%)d0.06(5.70%) 0.000017811 - 1.034280370
374 RY*(8)O13 s(1.65%)p59.06(97.27%)d0.66(1.08%) 0.000001081 - 4.608297447
375 RY*(9)O13 s(0.64%)p99.99(98.48%)d1.38(0.88%) 0.000002065 - 5.017448558
376 RY*(10)O13 s(62.68%)p0.21(13.06%)d0.39(24.26%) 0.000001804 - 1.363281848
377 RY*(11)O13 s(10.89%)p7.46(81.27%)d0.72(7.84%) 0.000007088 - 1.010580830
378 RY*(12)O13 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000132 - 5.583274119
379 RY*(13)O13 s(0.49%)p16.10(7.82%)d99.99(91.70%) 0.000000419 - 1.772060038
380 RY*(14)O13 s(0.19%)p2.31(0.45%)d99.99(99.35%) 0.000000042 - 6.630396691
381 RY*(15)O13 s(0.00%)p1.00(3.90%)d24.64(96.10%) 0.000000145 - 1.997650995
382 RY*(16)O13 s(0.00%)p1.00(0.41%)d99.99(99.59%) 0.000000034 - 6.705056151
383 RY*(17)O13 s(0.00%)p1.00(3.40%)d28.40(96.60%) 0.000000360 - 2.509332730
384 RY*(18)O13 s(0.00%)p1.00(0.75%)d99.99(99.25%) 0.000000061 - 6.819055408
385 RY*(19)O13 s(99.93%)p0.00(0.07%)d0.00(0.00%) 0.000000002 - 49.533790623
386 RY*(20)O13 s(1.68%)p1.76(2.95%)d56.83(95.37%) 0.000000122 - 6.451833808
387 RY*(21)O13 s(2.47%)p1.19(2.93%)d38.23(94.59%) 0.000006882 - 2.073282723
388 RY*(22)O13 s(0.51%)p2.46(1.25%)d99.99(98.25%) 0.000000075 - 6.682596141
389 RY*(1)H14 s(0.95%)p99.99(99.05%) 0.001470287 - 1.661470740
390 RY*(2)H14 s(6.64%)p14.07(93.36%) 0.001079396 - 1.766002516
391 RY*(3)H14 s(94.20%)p0.06(5.80%) 0.000482203 - 1.863050811
392 RY*(4)H14 s(96.08%)p0.04(3.92%) 0.000137609 - 0.561649066
393 RY*(5)H14 s(2.19%)p44.71(97.81%) 0.000008421 - 2.719709985
394 RY*(1)H15 s(0.95%)p99.99(99.05%) 0.001470287 - 1.661470740
395 RY*(2)H15 s(6.64%)p14.07(93.36%) 0.001079396 - 1.766002516
396 RY*(3)H15 s(94.20%)p0.06(5.80%) 0.000482203 - 1.863050811
397 RY*(4)H15 s(96.08%)p0.04(3.92%) 0.000137609 - 0.561649066
398 RY*(5)H15 s(2.19%)p44.71(97.81%) 0.000008421 - 2.719709985
399 RY*(1)O16 s(0.00%)p1.00(99.19%)d0.01(0.81%) 0.002358108 - 0.438411635
400 RY*(2)O16 s(77.12%)p0.26(19.97%)d0.04(2.90%) 0.001681236 - 0.648430364
401 RY*(3)O16 s(0.26%)p99.99(94.04%)d21.79(5.70%) 0.000930478 - 0.503926621
402 RY*(4)O16 s(16.84%)p4.74(79.85%)d0.20(3.31%) 0.000427751 - 0.567628649
403 RY*(5)O16 s(30.37%)p2.24(68.05%)d0.05(1.59%) 0.000182262 - 1.666237316
404 RY*(6)O16 s(0.28%)p99.99(90.95%)d30.96(8.77%) 0.000132292 - 1.507505142
405 RY*(7)O16 s(0.00%)p1.00(62.12%)d0.61(37.88%) 0.000121106 - 1.542057871
406 RY*(8)O16 s(5.99%)p1.59(9.54%)d14.10(84.47%) 0.000062380 - 1.856988199
407 RY*(9)O16 s(58.69%)p0.53(31.02%)d0.18(10.29%) 0.000036944 - 1.703889861
408 RY*(10)O16 s(0.00%)p1.00(12.17%)d7.22(87.83%) 0.000017771 - 2.842177512
409 RY*(11)O16 s(0.00%)p1.00(35.08%)d1.85(64.92%) 0.000019225 - 1.800726032
410 RY*(12)O16 s(5.49%)p1.05(5.76%)d16.16(88.75%) 0.000026646 - 2.463874888
411 RY*(13)O16 s(3.00%)p1.25(3.74%)d31.12(93.26%) 0.000006934 - 2.141227388
412 RY*(14)O16 s(0.00%)p1.00(0.16%)d99.99(99.83%) 0.000000179 - 6.554279857
413 RY*(15)O16 s(0.33%)p99.99(99.08%)d1.80(0.59%) 0.000002860 - 5.096710109
414 RY*(16)O16 s(0.00%)p1.00(0.06%)d99.99(99.94%) 0.000000144 - 6.546130735
415 RY*(17)O16 s(99.94%)p0.00(0.03%)d0.00(0.03%) 0.000000126 - 49.618703382
416 RY*(18)O16 s(0.00%)p1.00(0.13%)d99.99(99.87%) 0.000000371 - 6.741733224
417 RY*(19)O16 s(1.30%)p74.43(96.68%)d1.56(2.02%) 0.000002012 - 4.832539281
418 RY*(20)O16 s(0.41%)p1.97(0.81%)d99.99(98.78%) 0.000000977 - 6.734255168
419 RY*(21)O16 s(0.00%)p1.00(91.39%)d0.09(8.61%) 0.000004372 - 6.013458336
420 RY*(22)O16 s(0.01%)p43.42(0.53%)d99.99(99.46%) 0.000000879 - 6.773200521
421 RY*(1)H17 s(84.90%)p0.18(15.10%) 0.001666416 - 1.911933023
422 RY*(2)H17 s(1.47%)p67.23(98.53%) 0.000934126 - 1.830518150
423 RY*(3)H17 s(10.76%)p8.30(89.24%) 0.000631639 - 2.010639297
424 RY*(4)H17 s(37.27%)p1.68(62.73%) 0.000072704 - 1.873150650
425 RY*(5)H17 s(65.68%)p0.52(34.32%) 0.000037417 - 2.329849746
426 RY*(1)H18 s(84.90%)p0.18(15.10%) 0.001666416 - 1.911933023
427 RY*(2)H18 s(1.47%)p67.23(98.53%) 0.000934126 - 1.830518150
428 RY*(3)H18 s(10.76%)p8.30(89.24%) 0.000631639 - 2.010639297
429 RY*(4)H18 s(37.27%)p1.68(62.73%) 0.000072704 - 1.873150638
430 RY*(5)H18 s(65.68%)p0.52(34.32%) 0.000037417 - 2.329849758
431 RY*(1)H19 s(0.20%)p99.99(99.80%) 0.001553175 - 1.664200595
432 RY*(2)H19 s(16.81%)p4.95(83.19%) 0.001236943 - 1.648006951
433 RY*(3)H19 s(85.91%)p0.16(14.09%) 0.000536763 - 1.455321271
434 RY*(4)H19 s(94.49%)p0.06(5.51%) 0.000369508 - 1.281094815
435 RY*(5)H19 s(2.65%)p36.75(97.35%) 0.000007028 - 2.719179510
436 RY*(1)O20 s(0.00%)p1.00(96.79%)d0.03(3.21%) 0.000912903 - 0.449733202
437 RY*(2)O20 s(16.83%)p4.91(82.60%)d0.03(0.57%) 0.000515998 - 0.477529666
438 RY*(3)O20 s(61.07%)p0.32(19.52%)d0.32(19.41%) 0.000386953 - 0.891793645
439 RY*(4)O20 s(38.27%)p1.50(57.58%)d0.11(4.15%) 0.000085656 - 0.796627040
440 RY*(5)O20 s(4.46%)p20.17(90.04%)d1.23(5.49%) 0.000084673 - 0.998738367
441 RY*(6)O20 s(17.27%)p3.26(56.23%)d1.53(26.50%) 0.000039415 - 0.937702455
442 RY*(7)O20 s(29.94%)p1.79(53.55%)d0.55(16.51%) 0.000015242 - 1.590629911
443 RY*(8)O20 s(19.26%)p3.82(73.60%)d0.37(7.14%) 0.000018051 - 1.176829921
444 RY*(9)O20 s(4.36%)p6.25(27.28%)d15.68(68.36%) 0.000014922 - 2.422706301
445 RY*(10)O20 s(99.97%)p0.00(0.01%)d0.00(0.02%) 0.000000007 - 49.657378413
446 RY*(11)O20 s(1.58%)p57.73(91.19%)d4.58(7.23%) 0.000000580 - 4.589336530
447 RY*(12)O20 s(1.06%)p87.67(92.51%)d6.10(6.44%) 0.000001502 - 4.724502336
448 RY*(13)O20 s(0.02%)p99.99(8.19%)d99.99(91.79%) 0.000001789 - 1.871601751
449 RY*(14)O20 s(0.08%)p7.00(0.54%)d99.99(99.39%) 0.000000359 - 6.678738300
450 RY*(15)O20 s(0.07%)p99.99(22.77%)d99.99(77.16%) 0.000002872 - 1.675224436
451 RY*(16)O20 s(0.24%)p6.21(1.48%)d99.99(98.28%) 0.000000508 - 6.619980943
452 RY*(17)O20 s(2.50%)p5.04(12.57%)d34.02(84.93%) 0.000001577 - 2.128775672
453 RY*(18)O20 s(0.03%)p14.69(0.44%)d99.99(99.53%) 0.000000125 - 6.750297736
454 RY*(19)O20 s(0.26%)p99.99(97.92%)d7.03(1.82%) 0.000000715 - 5.297635790
455 RY*(20)O20 s(0.01%)p99.99(3.54%)d99.99(96.45%) 0.000000173 - 6.567063807
456 RY*(21)O20 s(2.74%)p3.68(10.10%)d31.77(87.16%) 0.000001731 - 2.166757822
457 RY*(22)O20 s(0.01%)p1.00(1.96%)d49.97(98.03%) 0.000000171 - 6.684979487
458 RY*(1)H21 s(0.25%)p99.99(99.75%) 0.001551836 - 1.664601068
459 RY*(2)H21 s(16.81%)p4.95(83.19%) 0.001236168 - 1.642355549
460 RY*(3)H21 s(85.65%)p0.17(14.35%) 0.000535573 - 1.420173987
461 RY*(4)H21 s(94.74%)p0.06(5.26%) 0.000375762 - 1.322843436
462 RY*(5)H21 s(2.60%)p37.52(97.40%) 0.000006662 - 2.718040978
463 RY*(1)H22 s(0.20%)p99.99(99.80%) 0.001553175 - 1.664200595
464 RY*(2)H22 s(16.81%)p4.95(83.19%) 0.001236943 - 1.648006951
465 RY*(3)H22 s(85.91%)p0.16(14.09%) 0.000536763 - 1.455321270
466 RY*(4)H22 s(94.49%)p0.06(5.51%) 0.000369508 - 1.281094816
467 RY*(5)H22 s(2.65%)p36.75(97.35%) 0.000007028 - 2.719179510
468 RY*(1)O23 s(0.00%)p1.00(96.79%)d0.03(3.21%) 0.000912903 - 0.449733202
469 RY*(2)O23 s(16.83%)p4.91(82.60%)d0.03(0.57%) 0.000515998 - 0.477529667
470 RY*(3)O23 s(61.07%)p0.32(19.52%)d0.32(19.41%) 0.000386953 - 0.891793645
471 RY*(4)O23 s(38.27%)p1.50(57.58%)d0.11(4.15%) 0.000085656 - 0.796627039
472 RY*(5)O23 s(4.46%)p20.17(90.04%)d1.23(5.49%) 0.000084673 - 0.998738367
473 RY*(6)O23 s(17.27%)p3.26(56.23%)d1.53(26.50%) 0.000039415 - 0.937702460
474 RY*(7)O23 s(29.94%)p1.79(53.55%)d0.55(16.51%) 0.000015242 - 1.590629910
475 RY*(8)O23 s(19.26%)p3.82(73.60%)d0.37(7.14%) 0.000018051 - 1.176829920
476 RY*(9)O23 s(4.36%)p6.25(27.28%)d15.68(68.36%) 0.000014922 - 2.422706303
477 RY*(10)O23 s(99.97%)p0.00(0.01%)d0.00(0.02%) 0.000000007 - 49.657378413
478 RY*(11)O23 s(1.58%)p57.73(91.19%)d4.58(7.23%) 0.000000580 - 4.589336529
479 RY*(12)O23 s(1.06%)p87.67(92.51%)d6.10(6.44%) 0.000001502 - 4.724502335
480 RY*(13)O23 s(0.02%)p99.99(8.19%)d99.99(91.79%) 0.000001789 - 1.871601751
481 RY*(14)O23 s(0.08%)p7.00(0.54%)d99.99(99.39%) 0.000000359 - 6.678738300
482 RY*(15)O23 s(0.07%)p99.99(22.77%)d99.99(77.16%) 0.000002872 - 1.675224436
483 RY*(16)O23 s(0.24%)p6.21(1.48%)d99.99(98.28%) 0.000000508 - 6.619980943
484 RY*(17)O23 s(2.50%)p5.04(12.57%)d34.02(84.93%) 0.000001577 - 2.128775673
485 RY*(18)O23 s(0.03%)p14.69(0.44%)d99.99(99.53%) 0.000000125 - 6.750297736
486 RY*(19)O23 s(0.26%)p99.99(97.92%)d7.03(1.82%) 0.000000715 - 5.297635788
487 RY*(20)O23 s(0.01%)p99.99(3.54%)d99.99(96.45%) 0.000000173 - 6.567063807
488 RY*(21)O23 s(2.74%)p3.68(10.10%)d31.77(87.16%) 0.000001731 - 2.166757821
489 RY*(22)O23 s(0.01%)p1.00(1.96%)d49.97(98.03%) 0.000000171 - 6.684979487
490 RY*(1)H24 s(0.25%)p99.99(99.75%) 0.001551836 - 1.664601068
491 RY*(2)H24 s(16.81%)p4.95(83.19%) 0.001236168 - 1.642355549
492 RY*(3)H24 s(85.65%)p0.17(14.35%) 0.000535573 - 1.420173987
493 RY*(4)H24 s(94.74%)p0.06(5.26%) 0.000375762 - 1.322843437
494 RY*(5)H24 s(2.60%)p37.52(97.40%) 0.000006662 - 2.718040978
495 RY*(1)H25 s(79.54%)p0.26(20.46%) 0.001488098 - 1.897446517
496 RY*(2)H25 s(1.73%)p56.66(98.27%) 0.000964130 - 1.827108264
497 RY*(3)H25 s(15.19%)p5.58(84.81%) 0.000573273 - 2.018391102
498 RY*(4)H25 s(92.99%)p0.08(7.01%) 0.000113580 - 1.041643330
499 RY*(5)H25 s(10.61%)p8.43(89.39%) 0.000060636 - 2.949935712
500 RY*(1)O26 s(5.30%)p17.69(93.76%)d0.18(0.95%) 0.002127883 - 0.458130941
501 RY*(2)O26 s(64.31%)p0.53(34.07%)d0.03(1.63%) 0.001656159 - 0.583367049
502 RY*(3)O26 s(9.45%)p8.88(83.97%)d0.70(6.58%) 0.000683460 - 0.491051658
503 RY*(4)O26 s(13.66%)p6.11(83.50%)d0.21(2.84%) 0.000371132 - 0.583847385
504 RY*(5)O26 s(0.11%)p99.99(77.14%)d99.99(22.75%) 0.000159805 - 1.355650196
505 RY*(6)O26 s(61.96%)p0.39(24.17%)d0.22(13.87%) 0.000145659 - 1.875405842
506 RY*(7)O26 s(1.67%)p51.24(85.82%)d7.46(12.50%) 0.000118693 - 1.400924746
507 RY*(8)O26 s(17.21%)p3.93(67.58%)d0.88(15.20%) 0.000077842 - 1.435047090
508 RY*(9)O26 s(14.71%)p0.73(10.81%)d5.06(74.48%) 0.000056561 - 1.851126891
509 RY*(10)O26 s(1.47%)p14.33(21.06%)d52.73(77.47%) 0.000031022 - 1.891574168
510 RY*(11)O26 s(5.19%)p3.16(16.41%)d15.12(78.40%) 0.000015026 - 2.559230247
511 RY*(12)O26 s(0.15%)p99.99(96.57%)d21.76(3.28%) 0.000002256 - 5.198122018
512 RY*(13)O26 s(0.10%)p99.99(99.37%)d5.29(0.53%) 0.000002881 - 5.641170818
513 RY*(14)O26 s(0.01%)p7.55(0.08%)d99.99(99.91%) 0.000000158 - 6.590770459
514 RY*(15)O26 s(2.01%)p1.30(2.62%)d47.43(95.37%) 0.000009110 - 2.121193756
515 RY*(16)O26 s(0.18%)p2.92(0.53%)d99.99(99.29%) 0.000000763 - 6.649627035
516 RY*(17)O26 s(99.87%)p0.00(0.08%)d0.00(0.05%) 0.000000135 - 49.666265064
517 RY*(18)O26 s(0.01%)p53.04(0.61%)d99.99(99.38%) 0.000000478 - 6.753741907
518 RY*(19)O26 s(1.23%)p79.53(98.21%)d0.45(0.55%) 0.000002091 - 4.908029668
519 RY*(20)O26 s(0.10%)p5.93(0.57%)d99.99(99.34%) 0.000001667 - 6.814028519
520 RY*(21)O26 s(1.29%)p2.36(3.04%)d74.05(95.67%) 0.000008884 - 2.659616226
521 RY*(22)O26 s(0.04%)p7.85(0.35%)d99.99(99.61%) 0.000001151 - 6.820572377
522 RY*(1)H27 s(90.33%)p0.11(9.67%) 0.002094578 - 1.829313114
523 RY*(2)H27 s(0.83%)p99.99(99.17%) 0.000867917 - 1.828871759
524 RY*(3)H27 s(5.52%)p17.11(94.48%) 0.000587324 - 2.042284926
525 RY*(4)H27 s(97.37%)p0.03(2.63%) 0.000102825 - 1.219308425
526 RY*(5)H27 s(6.01%)p15.63(93.99%) 0.000048582 - 2.853166061
527 RY*(1)H28 s(79.54%)p0.26(20.46%) 0.001488098 - 1.897446517
528 RY*(2)H28 s(1.73%)p56.66(98.27%) 0.000964130 - 1.827108263
529 RY*(3)H28 s(15.19%)p5.58(84.81%) 0.000573273 - 2.018391102
530 RY*(4)H28 s(92.99%)p0.08(7.01%) 0.000113580 - 1.041643331
531 RY*(5)H28 s(10.61%)p8.43(89.39%) 0.000060636 - 2.949935711
532 RY*(1)O29 s(5.30%)p17.69(93.76%)d0.18(0.95%) 0.002127883 - 0.458130941
533 RY*(2)O29 s(64.31%)p0.53(34.07%)d0.03(1.63%) 0.001656159 - 0.583367049
534 RY*(3)O29 s(9.45%)p8.88(83.97%)d0.70(6.58%) 0.000683460 - 0.491051658
535 RY*(4)O29 s(13.66%)p6.11(83.50%)d0.21(2.84%) 0.000371132 - 0.583847385
536 RY*(5)O29 s(0.11%)p99.99(77.14%)d99.99(22.75%) 0.000159805 - 1.355650195
537 RY*(6)O29 s(61.96%)p0.39(24.17%)d0.22(13.87%) 0.000145659 - 1.875405845
538 RY*(7)O29 s(1.67%)p51.24(85.82%)d7.46(12.50%) 0.000118693 - 1.400924746
539 RY*(8)O29 s(17.21%)p3.93(67.58%)d0.88(15.20%) 0.000077842 - 1.435047085
540 RY*(9)O29 s(14.71%)p0.73(10.81%)d5.06(74.48%) 0.000056561 - 1.851126895
541 RY*(10)O29 s(1.47%)p14.33(21.06%)d52.73(77.47%) 0.000031022 - 1.891574168
542 RY*(11)O29 s(5.19%)p3.16(16.41%)d15.12(78.40%) 0.000015026 - 2.559230247
543 RY*(12)O29 s(0.15%)p99.99(96.57%)d21.76(3.28%) 0.000002256 - 5.198122017
544 RY*(13)O29 s(0.10%)p99.99(99.37%)d5.29(0.53%) 0.000002881 - 5.641170819
545 RY*(14)O29 s(0.01%)p7.55(0.08%)d99.99(99.91%) 0.000000158 - 6.590770459
546 RY*(15)O29 s(2.01%)p1.30(2.62%)d47.43(95.37%) 0.000009110 - 2.121193756
547 RY*(16)O29 s(0.18%)p2.92(0.53%)d99.99(99.29%) 0.000000763 - 6.649627035
548 RY*(17)O29 s(99.87%)p0.00(0.08%)d0.00(0.05%) 0.000000135 - 49.666265063
549 RY*(18)O29 s(0.01%)p53.04(0.61%)d99.99(99.38%) 0.000000478 - 6.753741907
550 RY*(19)O29 s(1.23%)p79.53(98.21%)d0.45(0.55%) 0.000002091 - 4.908029669
551 RY*(20)O29 s(0.10%)p5.93(0.57%)d99.99(99.34%) 0.000001667 - 6.814028519
552 RY*(21)O29 s(1.29%)p2.36(3.04%)d74.05(95.67%) 0.000008884 - 2.659616226
553 RY*(22)O29 s(0.04%)p7.85(0.35%)d99.99(99.61%) 0.000001151 - 6.820572377
554 RY*(1)H30 s(90.33%)p0.11(9.67%) 0.002094578 - 1.829313114
555 RY*(2)H30 s(0.83%)p99.99(99.17%) 0.000867917 - 1.828871758
556 RY*(3)H30 s(5.52%)p17.11(94.48%) 0.000587324 - 2.042284926
557 RY*(4)H30 s(97.37%)p0.03(2.63%) 0.000102825 - 1.219308428
558 RY*(5)H30 s(6.01%)p15.63(93.99%) 0.000048582 - 2.853166058
559 RY*(1)O31 s(67.83%)p0.46(31.28%)d0.01(0.88%) 0.000359208 - 0.724331145
560 RY*(2)O31 s(4.76%)p18.76(89.25%)d1.26(5.99%) 0.000264800 - 0.686487016
561 RY*(3)O31 s(7.74%)p11.66(90.28%)d0.26(1.98%) 0.000220176 - 0.503398418
562 RY*(4)O31 s(1.48%)p59.95(88.84%)d6.53(9.68%) 0.000038648 - 0.754837430
563 RY*(5)O31 s(2.95%)p31.81(93.83%)d1.09(3.22%) 0.000005766 - 0.969584603
564 RY*(6)O31 s(4.26%)p21.20(90.30%)d1.28(5.44%) 0.000012692 - 1.281338088
565 RY*(7)O31 s(13.34%)p5.84(77.90%)d0.66(8.76%) 0.000013059 - 1.151137221
566 RY*(8)O31 s(0.04%)p99.99(99.89%)d1.85(0.07%) 0.000001730 - 5.660497965
567 RY*(9)O31 s(0.12%)p99.99(99.79%)d0.67(0.08%) 0.000000688 - 5.106057027
568 RY*(10)O31 s(99.96%)p0.00(0.04%)d0.00(0.01%) 0.000000009 - 49.656559468
569 RY*(11)O31 s(92.25%)p0.08(7.74%)d0.00(0.01%) 0.000008467 - 1.612605993
570 RY*(12)O31 s(0.21%)p99.99(99.71%)d0.38(0.08%) 0.000001550 - 5.366619466
571 RY*(13)O31 s(0.21%)p7.10(1.53%)d99.99(98.26%) 0.000003132 - 1.938757169
572 RY*(14)O31 s(0.00%)p1.00(3.62%)d26.61(96.38%) 0.000000299 - 6.534524931
573 RY*(15)O31 s(0.43%)p10.74(4.61%)d99.99(94.96%) 0.000003825 - 2.054711522
574 RY*(16)O31 s(0.13%)p13.20(1.74%)d99.99(98.13%) 0.000000311 - 6.740378732
575 RY*(17)O31 s(0.09%)p13.10(1.17%)d99.99(98.74%) 0.000001641 - 2.153672495
576 RY*(18)O31 s(0.03%)p4.30(0.14%)d99.99(99.83%) 0.000000075 - 6.805787418
577 RY*(19)O31 s(3.71%)p2.41(8.95%)d23.55(87.34%) 0.000003449 - 2.197093088
578 RY*(20)O31 s(0.14%)p17.16(2.32%)d99.99(97.54%) 0.000000102 - 6.765240658
579 RY*(21)O31 s(0.22%)p24.59(5.50%)d99.99(94.28%) 0.000000440 - 2.243724044
580 RY*(22)O31 s(0.14%)p14.18(1.96%)d99.99(97.90%) 0.000000061 - 6.759103977
581 RY*(1)H32 s(2.31%)p42.31(97.69%) 0.001466533 - 1.841755113
582 RY*(2)H32 s(49.40%)p1.02(50.60%) 0.001423397 - 1.623419734
583 RY*(3)H32 s(50.16%)p0.99(49.84%) 0.000809941 - 2.020904866
584 RY*(4)H32 s(93.83%)p0.07(6.17%) 0.000206922 - 1.480737148
585 RY*(5)H32 s(4.35%)p22.00(95.65%) 0.000011217 - 2.817634130
586 RY*(1)H33 s(0.01%)p1.00(99.99%) 0.001562789 - 1.767366317
587 RY*(2)H33 s(2.32%)p42.12(97.68%) 0.001144548 - 1.863886528
588 RY*(3)H33 s(98.69%)p0.01(1.31%) 0.000412885 - 0.847518249
589 RY*(4)H33 s(96.45%)p0.04(3.55%) 0.000331788 - 1.982715393
590 RY*(5)H33 s(2.60%)p37.51(97.40%) 0.000001473 - 2.822648806
591 RY*(1)O34 s(45.61%)p1.19(54.33%)d0.00(0.06%) 0.000393648 - 0.589498629
592 RY*(2)O34 s(22.70%)p3.02(68.56%)d0.38(8.74%) 0.000258106 - 0.871697926
593 RY*(3)O34 s(22.24%)p3.41(75.82%)d0.09(1.94%) 0.000097784 - 0.845641210
594 RY*(4)O34 s(26.98%)p2.62(70.58%)d0.09(2.44%) 0.000063060 - 0.767932062
595 RY*(5)O34 s(23.54%)p2.80(66.01%)d0.44(10.46%) 0.000030117 - 0.941311370
596 RY*(6)O34 s(0.08%)p99.99(99.92%)d0.08(0.01%) 0.000002019 - 5.685036173
597 RY*(7)O34 s(99.98%)p0.00(0.01%)d0.00(0.00%) 0.000000008 - 49.696629716
598 RY*(8)O34 s(31.28%)p2.19(68.61%)d0.00(0.11%) 0.000004007 - 1.212501175
599 RY*(9)O34 s(0.94%)p99.99(98.95%)d0.12(0.11%) 0.000001989 - 5.444091927
600 RY*(10)O34 s(22.22%)p3.04(67.56%)d0.46(10.22%) 0.000005572 - 0.673631010
601 RY*(11)O34 s(1.23%)p80.13(98.69%)d0.06(0.08%) 0.000009066 - 1.022523978
602 RY*(12)O34 s(0.03%)p99.99(99.96%)d0.28(0.01%) 0.000000473 - 4.967989290
603 RY*(13)O34 s(0.82%)p17.45(14.25%)d99.99(84.93%) 0.000002258 - 1.994403980
604 RY*(14)O34 s(0.00%)p1.00(0.38%)d99.99(99.62%) 0.000000258 - 6.866446829
605 RY*(15)O34 s(0.15%)p1.98(0.29%)d99.99(99.56%) 0.000001369 - 1.855442747
606 RY*(16)O34 s(0.05%)p1.26(0.06%)d99.99(99.88%) 0.000000243 - 6.689338884
607 RY*(17)O34 s(0.02%)p18.83(0.32%)d99.99(99.66%) 0.000000091 - 1.813369978
608 RY*(18)O34 s(0.01%)p1.00(0.06%)d99.99(99.93%) 0.000000020 - 6.676848615
609 RY*(19)O34 s(0.56%)p16.94(9.48%)d99.99(89.96%) 0.000000335 - 2.846599650
610 RY*(20)O34 s(0.53%)p2.70(1.42%)d99.99(98.06%) 0.000000148 - 6.906929461
611 RY*(21)O34 s(1.06%)p4.68(4.95%)d88.79(93.99%) 0.000003042 - 2.090561724
612 RY*(22)O34 s(0.02%)p8.16(0.18%)d99.99(99.80%) 0.000000047 - 6.783014842
613 RY*(1)H35 s(0.67%)p99.99(99.33%) 0.001603218 - 1.739567523
614 RY*(2)H35 s(0.69%)p99.99(99.31%) 0.001170009 - 1.878587956
615 RY*(3)H35 s(99.63%)p0.00(0.37%) 0.000379526 - 1.254525388
616 RY*(4)H35 s(96.32%)p0.04(3.68%) 0.000283578 - 1.438938201
617 RY*(5)H35 s(2.75%)p35.33(97.25%) 0.000001563 - 2.804676628
618 RY*(1)H36 s(8.28%)p11.08(91.72%) 0.001524462 - 1.777301523
619 RY*(2)H36 s(33.20%)p2.01(66.80%) 0.001371335 - 1.656506363
620 RY*(3)H36 s(60.78%)p0.65(39.22%) 0.000773441 - 1.972892819
621 RY*(4)H36 s(93.52%)p0.07(6.48%) 0.000185666 - 1.434675885
622 RY*(5)H36 s(4.27%)p22.41(95.73%) 0.000014794 - 2.792795253
623 RY*(1)O37 s(55.45%)p0.78(43.50%)d0.02(1.05%) 0.002740080 - 0.564532706
624 RY*(2)O37 s(8.88%)p9.99(88.70%)d0.27(2.42%) 0.001313168 - 0.451521291
625 RY*(3)O37 s(36.37%)p1.72(62.42%)d0.03(1.22%) 0.000718172 - 0.655515306
626 RY*(4)O37 s(0.40%)p99.99(98.29%)d3.32(1.32%) 0.000594720 - 0.454143863
627 RY*(5)O37 s(0.00%)p1.00(79.85%)d0.25(20.15%) 0.000230943 - 1.455392404
628 RY*(6)O37 s(52.66%)p0.85(44.83%)d0.05(2.51%) 0.000135570 - 1.550233071
629 RY*(7)O37 s(33.63%)p1.71(57.35%)d0.27(9.02%) 0.000103943 - 1.744966893
630 RY*(8)O37 s(0.00%)p1.00(16.71%)d4.98(83.28%) 0.000103848 - 1.872184529
631 RY*(9)O37 s(4.08%)p18.01(73.48%)d5.50(22.43%) 0.000073129 - 1.500071593
632 RY*(10)O37 s(4.19%)p4.36(18.27%)d18.51(77.54%) 0.000032498 - 2.153917707
633 RY*(11)O37 s(2.89%)p3.17(9.17%)d30.44(87.94%) 0.000030278 - 2.229482424
634 RY*(12)O37 s(0.95%)p12.41(11.85%)d91.32(87.19%) 0.000023184 - 2.022483107
635 RY*(13)O37 s(0.11%)p99.99(97.43%)d21.58(2.46%) 0.000001983 - 5.095256979
636 RY*(14)O37 s(0.02%)p4.95(0.08%)d99.99(99.91%) 0.000000299 - 6.627849731
637 RY*(15)O37 s(99.83%)p0.00(0.11%)d0.00(0.07%) 0.000000070 - 49.498628071
638 RY*(16)O37 s(0.04%)p3.52(0.15%)d99.99(99.80%) 0.000000434 - 6.677939846
639 RY*(17)O37 s(0.17%)p99.99(97.02%)d16.36(2.81%) 0.000002517 - 5.550080553
640 RY*(18)O37 s(0.03%)p6.31(0.17%)d99.99(99.81%) 0.000000491 - 6.574916208
641 RY*(19)O37 s(0.02%)p87.21(1.53%)d99.99(98.45%) 0.000004111 - 3.037752402
642 RY*(20)O37 s(0.00%)p1.00(0.73%)d99.99(99.27%) 0.000001115 - 6.784855706
643 RY*(21)O37 s(0.30%)p99.99(98.38%)d4.34(1.32%) 0.000004265 - 5.368805140
644 RY*(22)O37 s(0.01%)p21.71(0.32%)d99.99(99.66%) 0.000000805 - 6.722778889
645 RY*(1)H38 s(59.38%)p0.68(40.62%) 0.001334389 - 1.854827430
646 RY*(2)H38 s(0.01%)p99.99(99.99%) 0.001132645 - 1.840035274
647 RY*(3)H38 s(39.52%)p1.53(60.48%) 0.000597101 - 1.928272800
648 RY*(4)H38 s(95.02%)p0.05(4.98%) 0.000137090 - 1.133721907
649 RY*(5)H38 s(6.11%)p15.37(93.89%) 0.000071513 - 3.088956090
650 RY*(1)H39 s(88.52%)p0.13(11.48%) 0.001987104 - 1.813681756
651 RY*(2)H39 s(0.00%)p1.00(100.00%) 0.000795001 - 1.838429218
652 RY*(3)H39 s(7.05%)p13.18(92.95%) 0.000635760 - 2.065965306
653 RY*(4)H39 s(93.30%)p0.07(6.70%) 0.000068747 - 1.301726660
654 RY*(5)H39 s(11.20%)p7.93(88.80%) 0.000042240 - 2.882720309
655 RY*(1)O40 s(3.23%)p28.93(93.35%)d1.06(3.43%) 0.000762795 - 0.501726440
656 RY*(2)O40 s(14.34%)p5.78(82.87%)d0.19(2.79%) 0.000548050 - 0.429903116
657 RY*(3)O40 s(76.27%)p0.19(14.73%)d0.12(9.00%) 0.000293905 - 0.951648703
658 RY*(4)O40 s(0.82%)p99.99(88.60%)d12.95(10.58%) 0.000131393 - 0.598700551
659 RY*(5)O40 s(48.38%)p1.02(49.52%)d0.04(2.10%) 0.000115727 - 1.379908482
660 RY*(6)O40 s(21.28%)p3.44(73.21%)d0.26(5.50%) 0.000079241 - 1.408616779
661 RY*(7)O40 s(5.78%)p8.63(49.85%)d7.68(44.37%) 0.000073174 - 1.659860733
662 RY*(8)O40 s(0.22%)p99.99(43.01%)d99.99(56.77%) 0.000055921 - 1.771429984
663 RY*(9)O40 s(19.38%)p4.09(79.32%)d0.07(1.30%) 0.000014730 - 1.942016707
664 RY*(10)O40 s(99.95%)p0.00(0.04%)d0.00(0.01%) 0.000000029 - 49.686030536
665 RY*(11)O40 s(4.84%)p19.37(93.74%)d0.29(1.42%) 0.000000985 - 5.202628145
666 RY*(12)O40 s(0.01%)p99.99(99.10%)d71.97(0.89%) 0.000000701 - 4.986557016
667 RY*(13)O40 s(0.03%)p99.99(99.94%)d1.18(0.03%) 0.000003983 - 5.373457022
668 RY*(14)O40 s(0.07%)p6.54(0.48%)d99.99(99.45%) 0.000001203 - 6.806102258
669 RY*(15)O40 s(1.67%)p1.58(2.64%)d57.20(95.69%) 0.000004410 - 1.796372172
670 RY*(16)O40 s(0.04%)p6.42(0.28%)d99.99(99.67%) 0.000000611 - 6.681587391
671 RY*(17)O40 s(2.98%)p2.93(8.75%)d29.60(88.27%) 0.000006883 - 1.867711042
672 RY*(18)O40 s(0.04%)p46.27(1.72%)d99.99(98.24%) 0.000000787 - 6.646066055
673 RY*(19)O40 s(0.59%)p10.10(6.00%)d99.99(93.41%) 0.000002199 - 2.799320414
674 RY*(20)O40 s(0.00%)p1.00(2.64%)d36.93(97.36%) 0.000000578 - 6.853828213
675 RY*(21)O40 s(0.11%)p86.43(9.49%)d99.99(90.40%) 0.000008874 - 1.875079065
676 RY*(22)O40 s(0.01%)p1.00(1.11%)d89.39(98.89%) 0.000001001 - 6.732586446
677 RY*(1)H41 s(43.15%)p1.32(56.85%) 0.001429208 - 1.616522736
678 RY*(2)H41 s(11.91%)p7.40(88.09%) 0.001363290 - 1.778145326
679 RY*(3)H41 s(45.89%)p1.18(54.11%) 0.000623369 - 1.954302462
680 RY*(4)H41 s(96.89%)p0.03(3.11%) 0.000348850 - 1.430837715
681 RY*(5)H41 s(2.20%)p44.43(97.80%) 0.000031597 - 2.869714631
682 RY*(1)H42 s(76.58%)p0.31(23.42%) 0.001536114 - 1.531080025
683 RY*(2)H42 s(0.34%)p99.99(99.66%) 0.001133105 - 1.822901860
684 RY*(3)H42 s(19.42%)p4.15(80.58%) 0.000720698 - 1.993682930
685 RY*(4)H42 s(99.72%)p0.00(0.28%) 0.000310419 - 1.609109234
686 RY*(5)H42 s(3.99%)p24.03(96.01%) 0.000015523 - 2.729670659
687 RY*(1)O43 s(0.40%)p99.99(95.82%)d9.39(3.78%) 0.001042079 - 0.442045889
688 RY*(2)O43 s(6.59%)p11.32(74.67%)d2.84(18.74%) 0.000298904 - 0.579592511
689 RY*(3)O43 s(73.84%)p0.22(15.89%)d0.14(10.28%) 0.000193072 - 0.723617883
690 RY*(4)O43 s(23.00%)p2.67(61.37%)d0.68(15.63%) 0.000087347 - 0.843123432
691 RY*(5)O43 s(5.69%)p12.15(69.15%)d4.42(25.16%) 0.000025170 - 1.267589144
692 RY*(6)O43 s(17.07%)p4.56(77.79%)d0.30(5.13%) 0.000027790 - 0.925702534
693 RY*(7)O43 s(13.39%)p5.66(75.82%)d0.81(10.79%) 0.000020280 - 1.335886582
694 RY*(8)O43 s(38.51%)p1.02(39.44%)d0.57(22.05%) 0.000001178 - 1.277247167
695 RY*(9)O43 s(0.16%)p99.99(99.25%)d3.76(0.59%) 0.000002299 - 5.066239996
696 RY*(10)O43 s(17.14%)p3.55(60.82%)d1.29(22.05%) 0.000002915 - 1.037458485
697 RY*(11)O43 s(1.03%)p95.34(98.64%)d0.31(0.32%) 0.000000961 - 4.702024399
698 RY*(12)O43 s(0.30%)p99.99(99.69%)d0.03(0.01%) 0.000000118 - 5.674468732
699 RY*(13)O43 s(0.32%)p38.16(12.37%)d99.99(87.31%) 0.000000728 - 1.729992112
700 RY*(14)O43 s(0.40%)p1.03(0.41%)d99.99(99.19%) 0.000000098 - 6.639006438
701 RY*(15)O43 s(0.65%)p5.33(3.48%)d99.99(95.87%) 0.000000216 - 1.991948043
702 RY*(16)O43 s(0.06%)p5.86(0.33%)d99.99(99.61%) 0.000000044 - 6.713045061
703 RY*(17)O43 s(0.34%)p9.42(3.20%)d99.99(96.46%) 0.000000389 - 2.513135921
704 RY*(18)O43 s(0.05%)p17.18(0.86%)d99.99(99.09%) 0.000000091 - 6.826059389
705 RY*(19)O43 s(99.94%)p0.00(0.05%)d0.00(0.01%) 0.000000004 - 49.589388673
706 RY*(20)O43 s(0.17%)p27.16(4.60%)d99.99(95.23%) 0.000000102 - 6.448042533
707 RY*(21)O43 s(0.85%)p6.37(5.44%)d99.99(93.71%) 0.000006425 - 2.000846317
708 RY*(22)O43 s(0.11%)p11.90(1.31%)d99.99(98.58%) 0.000000060 - 6.707484404
709 RY*(1)H44 s(0.04%)p99.99(99.96%) 0.001469268 - 1.683892927
710 RY*(2)H44 s(7.87%)p11.71(92.13%) 0.001097811 - 1.770912866
711 RY*(3)H44 s(93.48%)p0.07(6.52%) 0.000494846 - 1.895096711
712 RY*(4)H44 s(96.11%)p0.04(3.89%) 0.000150704 - 0.585423644
713 RY*(5)H44 s(2.56%)p38.06(97.44%) 0.000006034 - 2.725438824
714 RY*(1)H45 s(0.01%)p99.99(99.99%) 0.001512863 - 1.680950428
715 RY*(2)H45 s(8.17%)p11.25(91.83%) 0.001114164 - 1.750624950
716 RY*(3)H45 s(94.18%)p0.06(5.82%) 0.000482484 - 1.920541926
717 RY*(4)H45 s(95.25%)p0.05(4.75%) 0.000189402 - 0.627083955
718 RY*(5)H45 s(2.45%)p39.88(97.55%) 0.000005229 - 2.722989867
719 RY*(1)O46 s(0.25%)p99.99(98.86%)d3.59(0.89%) 0.001971899 - 0.386365055
720 RY*(2)O46 s(20.38%)p3.73(76.14%)d0.17(3.48%) 0.000676061 - 0.458497616
721 RY*(3)O46 s(16.49%)p4.63(76.27%)d0.44(7.24%) 0.000568496 - 0.533722763
722 RY*(4)O46 s(63.74%)p0.46(29.37%)d0.11(6.89%) 0.000217439 - 1.155709072
723 RY*(5)O46 s(42.33%)p1.13(47.69%)d0.24(9.99%) 0.000137687 - 1.335571466
724 RY*(6)O46 s(8.68%)p4.78(41.54%)d5.73(49.78%) 0.000103163 - 1.742736944
725 RY*(7)O46 s(5.10%)p17.63(89.94%)d0.97(4.96%) 0.000070854 - 1.274926537
726 RY*(8)O46 s(10.30%)p4.12(42.40%)d4.59(47.30%) 0.000070082 - 1.449108399
727 RY*(9)O46 s(4.34%)p8.85(38.43%)d13.18(57.23%) 0.000050284 - 1.688966549
728 RY*(10)O46 s(4.79%)p1.35(6.45%)d18.53(88.76%) 0.000038417 - 2.386595359
729 RY*(11)O46 s(0.17%)p99.99(99.40%)d2.58(0.43%) 0.000001720 - 4.941705215
730 RY*(12)O46 s(0.46%)p99.99(99.11%)d0.93(0.43%) 0.000001088 - 5.711980149
731 RY*(13)O46 s(8.55%)p0.79(6.78%)d9.91(84.68%) 0.000002103 - 1.878772797
732 RY*(14)O46 s(1.02%)p1.19(1.22%)d95.59(97.76%) 0.000000397 - 6.692858096
733 RY*(15)O46 s(9.99%)p4.03(40.30%)d4.98(49.71%) 0.000009323 - 1.589922098
734 RY*(16)O46 s(0.35%)p7.28(2.58%)d99.99(97.07%) 0.000000628 - 6.575612617
735 RY*(17)O46 s(1.09%)p5.56(6.09%)d84.82(92.82%) 0.000001232 - 2.778655294
736 RY*(18)O46 s(0.25%)p3.26(0.83%)d99.99(98.91%) 0.000000218 - 6.797658859
737 RY*(19)O46 s(1.63%)p57.94(94.21%)d2.56(4.16%) 0.000001102 - 4.922663136
738 RY*(20)O46 s(0.01%)p1.00(1.07%)d92.28(98.92%) 0.000000836 - 6.661398487
739 RY*(21)O46 s(99.91%)p0.00(0.03%)d0.00(0.06%) 0.000000020 - 49.680262255
740 RY*(22)O46 s(0.21%)p7.65(1.63%)d99.99(98.16%) 0.000000408 - 6.759659317
741 RY*(1)H47 s(1.71%)p57.34(98.29%) 0.001265339 - 1.748525401
742 RY*(2)H47 s(13.72%)p6.29(86.28%) 0.000992722 - 1.815761634
743 RY*(3)H47 s(85.40%)p0.17(14.60%) 0.000522045 - 1.449850371
744 RY*(4)H47 s(96.57%)p0.04(3.43%) 0.000272057 - 1.218436280
745 RY*(5)H47 s(2.63%)p36.97(97.37%) 0.000011770 - 2.784783817
746 RY*(1)H48 s(94.02%)p0.06(5.98%) 0.002524759 - 1.448402458
747 RY*(2)H48 s(3.69%)p26.11(96.31%) 0.000876495 - 1.843258096
748 RY*(3)H48 s(3.72%)p25.85(96.28%) 0.000651814 - 2.013837409
749 RY*(4)H48 s(95.09%)p0.05(4.91%) 0.000323429 - 1.594122809
750 RY*(5)H48 s(3.54%)p27.27(96.46%) 0.000014051 - 2.705707764
751 RY*(1)H49 s(0.40%)p99.99(99.60%) 0.001428503 - 1.673962317
752 RY*(2)H49 s(7.00%)p13.28(93.00%) 0.001054243 - 1.774956015
753 RY*(3)H49 s(94.07%)p0.06(5.93%) 0.000483644 - 1.955880301
754 RY*(4)H49 s(96.32%)p0.04(3.68%) 0.000210536 - 0.570578658
755 RY*(5)H49 s(2.27%)p43.12(97.73%) 0.000005817 - 2.723315443
756 RY*(1)O50 s(0.28%)p99.99(96.20%)d12.35(3.51%) 0.001119775 - 0.435430033
757 RY*(2)O50 s(11.36%)p6.39(72.55%)d1.42(16.09%) 0.000329188 - 0.569118549
758 RY*(3)O50 s(70.20%)p0.32(22.19%)d0.11(7.61%) 0.000216245 - 0.664182774
759 RY*(4)O50 s(23.25%)p2.40(55.70%)d0.91(21.05%) 0.000090132 - 0.898156471
760 RY*(5)O50 s(5.62%)p14.89(83.73%)d1.89(10.65%) 0.000029663 - 1.092569347
761 RY*(6)O50 s(8.52%)p8.64(73.63%)d2.10(17.85%) 0.000025458 - 1.455322649
762 RY*(7)O50 s(15.00%)p4.98(74.75%)d0.68(10.26%) 0.000031695 - 1.089262018
763 RY*(8)O50 s(99.94%)p0.00(0.05%)d0.00(0.01%) 0.000000005 - 49.582777839
764 RY*(9)O50 s(0.32%)p99.99(99.54%)d0.44(0.14%) 0.000000665 - 5.523899887
765 RY*(10)O50 s(0.24%)p99.99(97.41%)d9.66(2.34%) 0.000000554 - 4.575025349
766 RY*(11)O50 s(45.73%)p0.64(29.19%)d0.55(25.08%) 0.000004213 - 1.405762298
767 RY*(12)O50 s(0.04%)p99.99(99.35%)d16.10(0.61%) 0.000001574 - 5.168778883
768 RY*(13)O50 s(0.11%)p80.83(8.95%)d99.99(90.94%) 0.000000371 - 1.929331322
769 RY*(14)O50 s(0.18%)p2.77(0.50%)d99.99(99.32%) 0.000000103 - 6.671029330
770 RY*(15)O50 s(0.54%)p15.15(8.15%)d99.99(91.31%) 0.000000896 - 1.823845242
771 RY*(16)O50 s(0.26%)p1.36(0.35%)d99.99(99.39%) 0.000000082 - 6.653862349
772 RY*(17)O50 s(0.34%)p7.20(2.48%)d99.99(97.18%) 0.000003238 - 2.131624089
773 RY*(18)O50 s(0.03%)p8.32(0.24%)d99.99(99.73%) 0.000000078 - 6.751113686
774 RY*(19)O50 s(16.13%)p3.65(58.78%)d1.56(25.09%) 0.000006629 - 1.283154101
775 RY*(20)O50 s(0.56%)p11.39(6.35%)d99.99(93.09%) 0.000000174 - 6.413640992
776 RY*(21)O50 s(1.33%)p6.06(8.08%)d68.02(90.59%) 0.000001004 - 2.244722866
777 RY*(22)O50 s(0.05%)p45.24(2.21%)d99.99(97.74%) 0.000000111 - 6.674219489
778 RY*(1)H51 s(0.50%)p99.99(99.50%) 0.001448637 - 1.671364969
779 RY*(2)H51 s(7.95%)p11.58(92.05%) 0.001064814 - 1.762468598
780 RY*(3)H51 s(93.24%)p0.07(6.76%) 0.000491450 - 1.878243475
781 RY*(4)H51 s(95.93%)p0.04(4.07%) 0.000155096 - 0.595709341
782 RY*(5)H51 s(2.44%)p39.90(97.56%) 0.000006008 - 2.720390312
783 RY*(1)H52 s(85.92%)p0.16(14.08%) 0.001727933 - 1.897748381
784 RY*(2)H52 s(1.35%)p73.12(98.65%) 0.000917600 - 1.827865546
785 RY*(3)H52 s(9.73%)p9.28(90.27%) 0.000626442 - 2.012480034
786 RY*(4)H52 s(40.05%)p1.50(59.95%) 0.000071542 - 1.821553488
787 RY*(5)H52 s(63.01%)p0.59(36.99%) 0.000039495 - 2.394783635
788 RY*(1)O53 s(0.08%)p99.99(99.07%)d10.77(0.86%) 0.002340805 - 0.439009583
789 RY*(2)O53 s(78.22%)p0.24(19.01%)d0.04(2.78%) 0.001690832 - 0.645756705
790 RY*(3)O53 s(0.47%)p99.99(93.44%)d12.95(6.09%) 0.000855882 - 0.503488497
791 RY*(4)O53 s(15.33%)p5.30(81.33%)d0.22(3.34%) 0.000401866 - 0.563630329
792 RY*(5)O53 s(30.08%)p2.19(66.02%)d0.13(3.90%) 0.000176479 - 1.658467659
793 RY*(6)O53 s(0.43%)p99.99(86.75%)d29.60(12.81%) 0.000129440 - 1.487450916
794 RY*(7)O53 s(2.90%)p22.00(63.84%)d11.46(33.25%) 0.000133160 - 1.584068057
795 RY*(8)O53 s(1.19%)p8.57(10.19%)d74.50(88.62%) 0.000067945 - 1.874222651
796 RY*(9)O53 s(58.06%)p0.59(34.04%)d0.14(7.89%) 0.000039447 - 1.649421690
797 RY*(10)O53 s(6.54%)p2.16(14.14%)d12.13(79.32%) 0.000019055 - 2.395259938
798 RY*(11)O53 s(3.53%)p3.46(12.22%)d23.86(84.25%) 0.000024819 - 2.606316038
799 RY*(12)O53 s(0.08%)p99.99(30.90%)d99.99(69.01%) 0.000016772 - 1.904832983
800 RY*(13)O53 s(0.03%)p99.99(93.51%)d99.99(6.46%) 0.000004202 - 5.707140954
801 RY*(14)O53 s(0.00%)p1.00(0.11%)d99.99(99.89%) 0.000000130 - 6.517699711
802 RY*(15)O53 s(0.73%)p4.06(2.95%)d99.99(96.33%) 0.000009803 - 2.495354678
803 RY*(16)O53 s(0.00%)p1.00(0.13%)d99.99(99.86%) 0.000000178 - 6.529017934
804 RY*(17)O53 s(99.91%)p0.00(0.03%)d0.00(0.06%) 0.000000129 - 49.615309994
805 RY*(18)O53 s(0.04%)p16.69(0.65%)d99.99(99.31%) 0.000000441 - 6.736283817
806 RY*(19)O53 s(1.72%)p56.12(96.36%)d1.12(1.92%) 0.000002284 - 4.843877193
807 RY*(20)O53 s(0.04%)p11.71(0.50%)d99.99(99.46%) 0.000001144 - 6.770738038
808 RY*(21)O53 s(0.50%)p99.99(94.60%)d9.79(4.90%) 0.000002761 - 5.221288405
809 RY*(22)O53 s(0.15%)p3.63(0.54%)d99.99(99.31%) 0.000000611 - 6.789382789
810 RY*(1)H54 s(82.51%)p0.21(17.49%) 0.001601236 - 1.915234525
811 RY*(2)H54 s(1.95%)p50.35(98.05%) 0.000957478 - 1.821344625
812 RY*(3)H54 s(12.69%)p6.88(87.31%) 0.000626415 - 2.002680993
813 RY*(4)H54 s(37.74%)p1.65(62.26%) 0.000074464 - 1.835587432
814 RY*(5)H54 s(65.18%)p0.53(34.82%) 0.000036775 - 2.352956309
815 RY*(1)O55 s(67.83%)p0.46(31.28%)d0.01(0.88%) 0.000359208 - 0.724331145
816 RY*(2)O55 s(4.76%)p18.76(89.25%)d1.26(5.99%) 0.000264800 - 0.686487016
817 RY*(3)O55 s(7.74%)p11.66(90.28%)d0.26(1.98%) 0.000220176 - 0.503398418
818 RY*(4)O55 s(1.48%)p59.95(88.84%)d6.53(9.68%) 0.000038648 - 0.754837433
819 RY*(5)O55 s(2.95%)p31.81(93.83%)d1.09(3.22%) 0.000005766 - 0.969584604
820 RY*(6)O55 s(4.26%)p21.20(90.30%)d1.28(5.44%) 0.000012692 - 1.281338088
821 RY*(7)O55 s(13.34%)p5.84(77.90%)d0.66(8.76%) 0.000013059 - 1.151137221
822 RY*(8)O55 s(0.04%)p99.99(99.89%)d1.85(0.07%) 0.000001730 - 5.660497964
823 RY*(9)O55 s(0.12%)p99.99(99.79%)d0.67(0.08%) 0.000000688 - 5.106057027
824 RY*(10)O55 s(99.96%)p0.00(0.04%)d0.00(0.01%) 0.000000009 - 49.656559468
825 RY*(11)O55 s(92.25%)p0.08(7.74%)d0.00(0.01%) 0.000008467 - 1.612605993
826 RY*(12)O55 s(0.21%)p99.99(99.71%)d0.38(0.08%) 0.000001550 - 5.366619466
827 RY*(13)O55 s(0.21%)p7.10(1.53%)d99.99(98.26%) 0.000003132 - 1.938757168
828 RY*(14)O55 s(0.00%)p1.00(3.62%)d26.61(96.38%) 0.000000299 - 6.534524931
829 RY*(15)O55 s(0.43%)p10.74(4.61%)d99.99(94.96%) 0.000003825 - 2.054711522
830 RY*(16)O55 s(0.13%)p13.20(1.74%)d99.99(98.13%) 0.000000311 - 6.740378733
831 RY*(17)O55 s(0.09%)p13.10(1.17%)d99.99(98.74%) 0.000001641 - 2.153672495
832 RY*(18)O55 s(0.03%)p4.30(0.14%)d99.99(99.83%) 0.000000075 - 6.805787418
833 RY*(19)O55 s(3.71%)p2.41(8.95%)d23.55(87.34%) 0.000003449 - 2.197093088
834 RY*(20)O55 s(0.14%)p17.16(2.32%)d99.99(97.54%) 0.000000102 - 6.765240657
835 RY*(21)O55 s(0.22%)p24.59(5.50%)d99.99(94.28%) 0.000000440 - 2.243724044
836 RY*(22)O55 s(0.14%)p14.18(1.96%)d99.99(97.90%) 0.000000061 - 6.759103977
837 RY*(1)H56 s(2.31%)p42.31(97.69%) 0.001466533 - 1.841755113
838 RY*(2)H56 s(49.40%)p1.02(50.60%) 0.001423397 - 1.623419734
839 RY*(3)H56 s(50.16%)p0.99(49.84%) 0.000809941 - 2.020904866
840 RY*(4)H56 s(93.83%)p0.07(6.17%) 0.000206922 - 1.480737148
841 RY*(5)H56 s(4.35%)p22.00(95.65%) 0.000011217 - 2.817634130
842 RY*(1)H57 s(0.01%)p1.00(99.99%) 0.001562789 - 1.767366317
843 RY*(2)H57 s(2.32%)p42.12(97.68%) 0.001144548 - 1.863886528
844 RY*(3)H57 s(98.69%)p0.01(1.31%) 0.000412885 - 0.847518250
845 RY*(4)H57 s(96.45%)p0.04(3.55%) 0.000331788 - 1.982715392
846 RY*(5)H57 s(2.60%)p37.51(97.40%) 0.000001473 - 2.822648806
847 RY*(1)O58 s(45.61%)p1.19(54.33%)d0.00(0.06%) 0.000393648 - 0.589498629
848 RY*(2)O58 s(22.70%)p3.02(68.56%)d0.38(8.74%) 0.000258106 - 0.871697925
849 RY*(3)O58 s(22.24%)p3.41(75.82%)d0.09(1.94%) 0.000097784 - 0.845641209
850 RY*(4)O58 s(26.98%)p2.62(70.58%)d0.09(2.44%) 0.000063060 - 0.767932063
851 RY*(5)O58 s(23.54%)p2.80(66.01%)d0.44(10.46%) 0.000030117 - 0.941311370
852 RY*(6)O58 s(0.08%)p99.99(99.92%)d0.08(0.01%) 0.000002019 - 5.685036173
853 RY*(7)O58 s(99.98%)p0.00(0.01%)d0.00(0.00%) 0.000000008 - 49.696629716
854 RY*(8)O58 s(31.28%)p2.19(68.61%)d0.00(0.11%) 0.000004007 - 1.212501175
855 RY*(9)O58 s(0.94%)p99.99(98.95%)d0.12(0.11%) 0.000001989 - 5.444091926
856 RY*(10)O58 s(22.22%)p3.04(67.56%)d0.46(10.22%) 0.000005572 - 0.673631012
857 RY*(11)O58 s(1.23%)p80.13(98.69%)d0.06(0.08%) 0.000009066 - 1.022523978
858 RY*(12)O58 s(0.03%)p99.99(99.96%)d0.28(0.01%) 0.000000473 - 4.967989290
859 RY*(13)O58 s(0.82%)p17.45(14.25%)d99.99(84.93%) 0.000002258 - 1.994403980
860 RY*(14)O58 s(0.00%)p1.00(0.38%)d99.99(99.62%) 0.000000258 - 6.866446829
861 RY*(15)O58 s(0.15%)p1.98(0.29%)d99.99(99.56%) 0.000001369 - 1.855442747
862 RY*(16)O58 s(0.05%)p1.26(0.06%)d99.99(99.88%) 0.000000243 - 6.689338884
863 RY*(17)O58 s(0.02%)p18.83(0.32%)d99.99(99.66%) 0.000000091 - 1.813369978
864 RY*(18)O58 s(0.01%)p1.00(0.06%)d99.99(99.93%) 0.000000020 - 6.676848615
865 RY*(19)O58 s(0.56%)p16.94(9.48%)d99.99(89.96%) 0.000000335 - 2.846599650
866 RY*(20)O58 s(0.53%)p2.70(1.42%)d99.99(98.06%) 0.000000148 - 6.906929461
867 RY*(21)O58 s(1.06%)p4.68(4.95%)d88.79(93.99%) 0.000003042 - 2.090561723
868 RY*(22)O58 s(0.02%)p8.16(0.18%)d99.99(99.80%) 0.000000047 - 6.783014842
869 RY*(1)H59 s(8.28%)p11.08(91.72%) 0.001524462 - 1.777301523
870 RY*(2)H59 s(33.20%)p2.01(66.80%) 0.001371335 - 1.656506363
871 RY*(3)H59 s(60.78%)p0.65(39.22%) 0.000773441 - 1.972892819
872 RY*(4)H59 s(93.52%)p0.07(6.48%) 0.000185666 - 1.434675886
873 RY*(5)H59 s(4.27%)p22.41(95.73%) 0.000014794 - 2.792795253
874 RY*(1)H60 s(0.67%)p99.99(99.33%) 0.001603218 - 1.739567523
875 RY*(2)H60 s(0.69%)p99.99(99.31%) 0.001170009 - 1.878587956
876 RY*(3)H60 s(99.63%)p0.00(0.37%) 0.000379526 - 1.254525388
877 RY*(4)H60 s(96.32%)p0.04(3.68%) 0.000283578 - 1.438938201
878 RY*(5)H60 s(2.75%)p35.33(97.25%) 0.000001563 - 2.804676628
879 RY*(1)O61 s(55.45%)p0.78(43.50%)d0.02(1.05%) 0.002740080 - 0.564532706
880 RY*(2)O61 s(8.88%)p9.99(88.70%)d0.27(2.42%) 0.001313168 - 0.451521291
881 RY*(3)O61 s(36.37%)p1.72(62.42%)d0.03(1.22%) 0.000718172 - 0.655515306
882 RY*(4)O61 s(0.40%)p99.99(98.29%)d3.32(1.32%) 0.000594720 - 0.454143863
883 RY*(5)O61 s(0.00%)p1.00(79.85%)d0.25(20.15%) 0.000230943 - 1.455392404
884 RY*(6)O61 s(52.66%)p0.85(44.83%)d0.05(2.51%) 0.000135570 - 1.550233074
885 RY*(7)O61 s(33.63%)p1.71(57.35%)d0.27(9.02%) 0.000103943 - 1.744966888
886 RY*(8)O61 s(0.00%)p1.00(16.71%)d4.98(83.28%) 0.000103848 - 1.872184529
887 RY*(9)O61 s(4.08%)p18.01(73.48%)d5.50(22.43%) 0.000073129 - 1.500071594
888 RY*(10)O61 s(4.19%)p4.36(18.27%)d18.51(77.54%) 0.000032498 - 2.153917707
889 RY*(11)O61 s(2.89%)p3.17(9.17%)d30.44(87.94%) 0.000030278 - 2.229482423
890 RY*(12)O61 s(0.95%)p12.41(11.85%)d91.32(87.19%) 0.000023184 - 2.022483107
891 RY*(13)O61 s(0.11%)p99.99(97.43%)d21.58(2.46%) 0.000001983 - 5.095256979
892 RY*(14)O61 s(0.02%)p4.95(0.08%)d99.99(99.91%) 0.000000299 - 6.627849731
893 RY*(15)O61 s(99.83%)p0.00(0.11%)d0.00(0.07%) 0.000000070 - 49.498628073
894 RY*(16)O61 s(0.04%)p3.52(0.15%)d99.99(99.80%) 0.000000434 - 6.677939846
895 RY*(17)O61 s(0.17%)p99.99(97.02%)d16.36(2.81%) 0.000002517 - 5.550080553
896 RY*(18)O61 s(0.03%)p6.31(0.17%)d99.99(99.81%) 0.000000491 - 6.574916208
897 RY*(19)O61 s(0.02%)p87.21(1.53%)d99.99(98.45%) 0.000004111 - 3.037752402
898 RY*(20)O61 s(0.00%)p1.00(0.73%)d99.99(99.27%) 0.000001115 - 6.784855706
899 RY*(21)O61 s(0.30%)p99.99(98.38%)d4.34(1.32%) 0.000004265 - 5.368805139
900 RY*(22)O61 s(0.01%)p21.71(0.32%)d99.99(99.66%) 0.000000805 - 6.722778889
901 RY*(1)H62 s(59.38%)p0.68(40.62%) 0.001334389 - 1.854827430
902 RY*(2)H62 s(0.01%)p99.99(99.99%) 0.001132645 - 1.840035274
903 RY*(3)H62 s(39.52%)p1.53(60.48%) 0.000597101 - 1.928272800
904 RY*(4)H62 s(95.02%)p0.05(4.98%) 0.000137090 - 1.133721906
905 RY*(5)H62 s(6.11%)p15.37(93.89%) 0.000071513 - 3.088956091
906 RY*(1)H63 s(88.52%)p0.13(11.48%) 0.001987104 - 1.813681756
907 RY*(2)H63 s(0.00%)p1.00(100.00%) 0.000795001 - 1.838429218
908 RY*(3)H63 s(7.05%)p13.18(92.95%) 0.000635760 - 2.065965306
909 RY*(4)H63 s(93.30%)p0.07(6.70%) 0.000068747 - 1.301726660
910 RY*(5)H63 s(11.20%)p7.93(88.80%) 0.000042240 - 2.882720310
911 RY*(1)O64 s(3.23%)p28.93(93.35%)d1.06(3.43%) 0.000762795 - 0.501726440
912 RY*(2)O64 s(14.34%)p5.78(82.87%)d0.19(2.79%) 0.000548050 - 0.429903116
913 RY*(3)O64 s(76.27%)p0.19(14.73%)d0.12(9.00%) 0.000293905 - 0.951648703
914 RY*(4)O64 s(0.82%)p99.99(88.60%)d12.95(10.58%) 0.000131393 - 0.598700551
915 RY*(5)O64 s(48.38%)p1.02(49.52%)d0.04(2.10%) 0.000115727 - 1.379908480
916 RY*(6)O64 s(21.28%)p3.44(73.21%)d0.26(5.50%) 0.000079241 - 1.408616780
917 RY*(7)O64 s(5.78%)p8.63(49.85%)d7.68(44.37%) 0.000073174 - 1.659860733
918 RY*(8)O64 s(0.22%)p99.99(43.01%)d99.99(56.77%) 0.000055921 - 1.771429984
919 RY*(9)O64 s(19.38%)p4.09(79.32%)d0.07(1.30%) 0.000014730 - 1.942016706
920 RY*(10)O64 s(99.95%)p0.00(0.04%)d0.00(0.01%) 0.000000029 - 49.686030534
921 RY*(11)O64 s(4.84%)p19.37(93.74%)d0.29(1.42%) 0.000000985 - 5.202628147
922 RY*(12)O64 s(0.01%)p99.99(99.10%)d71.97(0.89%) 0.000000701 - 4.986557016
923 RY*(13)O64 s(0.03%)p99.99(99.94%)d1.18(0.03%) 0.000003983 - 5.373457021
924 RY*(14)O64 s(0.07%)p6.54(0.48%)d99.99(99.45%) 0.000001203 - 6.806102258
925 RY*(15)O64 s(1.67%)p1.58(2.64%)d57.20(95.69%) 0.000004410 - 1.796372172
926 RY*(16)O64 s(0.04%)p6.42(0.28%)d99.99(99.67%) 0.000000611 - 6.681587391
927 RY*(17)O64 s(2.98%)p2.93(8.75%)d29.60(88.27%) 0.000006883 - 1.867711042
928 RY*(18)O64 s(0.04%)p46.27(1.72%)d99.99(98.24%) 0.000000787 - 6.646066055
929 RY*(19)O64 s(0.59%)p10.10(6.00%)d99.99(93.41%) 0.000002199 - 2.799320414
930 RY*(20)O64 s(0.00%)p1.00(2.64%)d36.93(97.36%) 0.000000578 - 6.853828213
931 RY*(21)O64 s(0.11%)p86.43(9.49%)d99.99(90.40%) 0.000008874 - 1.875079066
932 RY*(22)O64 s(0.01%)p1.00(1.11%)d89.39(98.89%) 0.000001001 - 6.732586446
933 RY*(1)H65 s(43.15%)p1.32(56.85%) 0.001429208 - 1.616522736
934 RY*(2)H65 s(11.91%)p7.40(88.09%) 0.001363290 - 1.778145326
935 RY*(3)H65 s(45.89%)p1.18(54.11%) 0.000623369 - 1.954302462
936 RY*(4)H65 s(96.89%)p0.03(3.11%) 0.000348850 - 1.430837715
937 RY*(5)H65 s(2.20%)p44.43(97.80%) 0.000031597 - 2.869714631
938 RY*(1)H66 s(76.58%)p0.31(23.42%) 0.001536114 - 1.531080026
939 RY*(2)H66 s(0.34%)p99.99(99.66%) 0.001133105 - 1.822901860
940 RY*(3)H66 s(19.42%)p4.15(80.58%) 0.000720698 - 1.993682930
941 RY*(4)H66 s(99.72%)p0.00(0.28%) 0.000310419 - 1.609109234
942 RY*(5)H66 s(3.99%)p24.03(96.01%) 0.000015523 - 2.729670659
943 RY*(1)O67 s(0.40%)p99.99(95.82%)d9.39(3.78%) 0.001042079 - 0.442045889
944 RY*(2)O67 s(6.59%)p11.32(74.67%)d2.84(18.74%) 0.000298904 - 0.579592511
945 RY*(3)O67 s(73.84%)p0.22(15.89%)d0.14(10.28%) 0.000193072 - 0.723617883
946 RY*(4)O67 s(23.00%)p2.67(61.37%)d0.68(15.63%) 0.000087347 - 0.843123432
947 RY*(5)O67 s(5.69%)p12.15(69.15%)d4.42(25.16%) 0.000025170 - 1.267589144
948 RY*(6)O67 s(17.07%)p4.56(77.79%)d0.30(5.13%) 0.000027790 - 0.925702534
949 RY*(7)O67 s(13.39%)p5.66(75.82%)d0.81(10.79%) 0.000020280 - 1.335886580
950 RY*(8)O67 s(38.51%)p1.02(39.44%)d0.57(22.05%) 0.000001178 - 1.277247166
951 RY*(9)O67 s(0.16%)p99.99(99.25%)d3.76(0.59%) 0.000002299 - 5.066239996
952 RY*(10)O67 s(17.14%)p3.55(60.82%)d1.29(22.05%) 0.000002915 - 1.037458485
953 RY*(11)O67 s(1.03%)p95.34(98.64%)d0.31(0.32%) 0.000000961 - 4.702024400
954 RY*(12)O67 s(0.30%)p99.99(99.69%)d0.03(0.01%) 0.000000118 - 5.674468732
955 RY*(13)O67 s(0.32%)p38.16(12.37%)d99.99(87.31%) 0.000000728 - 1.729992112
956 RY*(14)O67 s(0.40%)p1.03(0.41%)d99.99(99.19%) 0.000000098 - 6.639006438
957 RY*(15)O67 s(0.65%)p5.33(3.48%)d99.99(95.87%) 0.000000216 - 1.991948043
958 RY*(16)O67 s(0.06%)p5.86(0.33%)d99.99(99.61%) 0.000000044 - 6.713045061
959 RY*(17)O67 s(0.34%)p9.42(3.20%)d99.99(96.46%) 0.000000389 - 2.513135922
960 RY*(18)O67 s(0.05%)p17.18(0.86%)d99.99(99.09%) 0.000000091 - 6.826059389
961 RY*(19)O67 s(99.94%)p0.00(0.05%)d0.00(0.01%) 0.000000004 - 49.589388674
962 RY*(20)O67 s(0.17%)p27.16(4.60%)d99.99(95.23%) 0.000000102 - 6.448042533
963 RY*(21)O67 s(0.85%)p6.37(5.44%)d99.99(93.71%) 0.000006425 - 2.000846317
964 RY*(22)O67 s(0.11%)p11.90(1.31%)d99.99(98.58%) 0.000000060 - 6.707484404
965 RY*(1)H68 s(0.04%)p99.99(99.96%) 0.001469268 - 1.683892927
966 RY*(2)H68 s(7.87%)p11.71(92.13%) 0.001097811 - 1.770912866
967 RY*(3)H68 s(93.48%)p0.07(6.52%) 0.000494846 - 1.895096711
968 RY*(4)H68 s(96.11%)p0.04(3.89%) 0.000150704 - 0.585423645
969 RY*(5)H68 s(2.56%)p38.06(97.44%) 0.000006034 - 2.725438824
970 RY*(1)H69 s(0.01%)p99.99(99.99%) 0.001512863 - 1.680950428
971 RY*(2)H69 s(8.17%)p11.25(91.83%) 0.001114164 - 1.750624950
972 RY*(3)H69 s(94.18%)p0.06(5.82%) 0.000482484 - 1.920541926
973 RY*(4)H69 s(95.25%)p0.05(4.75%) 0.000189402 - 0.627083955
974 RY*(5)H69 s(2.45%)p39.88(97.55%) 0.000005229 - 2.722989867
975 RY*(1)O70 s(0.25%)p99.99(98.86%)d3.59(0.89%) 0.001971899 - 0.386365055
976 RY*(2)O70 s(20.38%)p3.73(76.14%)d0.17(3.48%) 0.000676061 - 0.458497616
977 RY*(3)O70 s(16.49%)p4.63(76.27%)d0.44(7.24%) 0.000568496 - 0.533722763
978 RY*(4)O70 s(63.74%)p0.46(29.37%)d0.11(6.89%) 0.000217439 - 1.155709077
979 RY*(5)O70 s(42.33%)p1.13(47.69%)d0.24(9.99%) 0.000137687 - 1.335571464
980 RY*(6)O70 s(8.68%)p4.78(41.54%)d5.73(49.78%) 0.000103163 - 1.742736944
981 RY*(7)O70 s(5.10%)p17.63(89.94%)d0.97(4.96%) 0.000070854 - 1.274926536
982 RY*(8)O70 s(10.30%)p4.12(42.40%)d4.59(47.30%) 0.000070082 - 1.449108399
983 RY*(9)O70 s(4.34%)p8.85(38.43%)d13.18(57.23%) 0.000050284 - 1.688966549
984 RY*(10)O70 s(4.79%)p1.35(6.45%)d18.53(88.76%) 0.000038417 - 2.386595359
985 RY*(11)O70 s(0.17%)p99.99(99.40%)d2.58(0.43%) 0.000001720 - 4.941705215
986 RY*(12)O70 s(0.46%)p99.99(99.11%)d0.93(0.43%) 0.000001088 - 5.711980149
987 RY*(13)O70 s(8.55%)p0.79(6.78%)d9.91(84.68%) 0.000002103 - 1.878772797
988 RY*(14)O70 s(1.02%)p1.19(1.22%)d95.59(97.76%) 0.000000397 - 6.692858096
989 RY*(15)O70 s(9.99%)p4.03(40.30%)d4.98(49.71%) 0.000009323 - 1.589922098
990 RY*(16)O70 s(0.35%)p7.28(2.58%)d99.99(97.07%) 0.000000628 - 6.575612617
991 RY*(17)O70 s(1.09%)p5.56(6.09%)d84.82(92.82%) 0.000001232 - 2.778655294
992 RY*(18)O70 s(0.25%)p3.26(0.83%)d99.99(98.91%) 0.000000218 - 6.797658859
993 RY*(19)O70 s(1.63%)p57.94(94.21%)d2.56(4.16%) 0.000001102 - 4.922663135
994 RY*(20)O70 s(0.01%)p1.00(1.07%)d92.28(98.92%) 0.000000836 - 6.661398487
995 RY*(21)O70 s(99.91%)p0.00(0.03%)d0.00(0.06%) 0.000000020 - 49.680262256
996 RY*(22)O70 s(0.21%)p7.65(1.63%)d99.99(98.16%) 0.000000408 - 6.759659317
997 RY*(1)H71 s(94.02%)p0.06(5.98%) 0.002524759 - 1.448402458
998 RY*(2)H71 s(3.69%)p26.11(96.31%) 0.000876495 - 1.843258096
999 RY*(3)H71 s(3.72%)p25.85(96.28%) 0.000651814 - 2.013837409
1000 RY*(4)H71 s(95.09%)p0.05(4.91%) 0.000323429 - 1.594122810
1001 RY*(5)H71 s(3.54%)p27.27(96.46%) 0.000014051 - 2.705707763
1002 RY*(1)H72 s(1.71%)p57.34(98.29%) 0.001265339 - 1.748525401
1003 RY*(2)H72 s(13.72%)p6.29(86.28%) 0.000992722 - 1.815761634
1004 RY*(3)H72 s(85.40%)p0.17(14.60%) 0.000522045 - 1.449850371
1005 RY*(4)H72 s(96.57%)p0.04(3.43%) 0.000272057 - 1.218436280
1006 RY*(5)H72 s(2.63%)p36.97(97.37%) 0.000011770 - 2.784783817
1007 RY*(1)H73 s(0.40%)p99.99(99.60%) 0.001428503 - 1.673962317
1008 RY*(2)H73 s(7.00%)p13.28(93.00%) 0.001054243 - 1.774956015
1009 RY*(3)H73 s(94.07%)p0.06(5.93%) 0.000483644 - 1.955880301
1010 RY*(4)H73 s(96.32%)p0.04(3.68%) 0.000210536 - 0.570578658
1011 RY*(5)H73 s(2.27%)p43.12(97.73%) 0.000005817 - 2.723315443
1012 RY*(1)O74 s(0.28%)p99.99(96.20%)d12.35(3.51%) 0.001119775 - 0.435430033
1013 RY*(2)O74 s(11.36%)p6.39(72.55%)d1.42(16.09%) 0.000329188 - 0.569118549
1014 RY*(3)O74 s(70.20%)p0.32(22.19%)d0.11(7.61%) 0.000216245 - 0.664182774
1015 RY*(4)O74 s(23.25%)p2.40(55.70%)d0.91(21.05%) 0.000090132 - 0.898156471
1016 RY*(5)O74 s(5.62%)p14.89(83.73%)d1.89(10.65%) 0.000029663 - 1.092569347
1017 RY*(6)O74 s(8.52%)p8.64(73.63%)d2.10(17.85%) 0.000025458 - 1.455322649
1018 RY*(7)O74 s(15.00%)p4.98(74.75%)d0.68(10.26%) 0.000031695 - 1.089262018
1019 RY*(8)O74 s(99.94%)p0.00(0.05%)d0.00(0.01%) 0.000000005 - 49.582777839
1020 RY*(9)O74 s(0.32%)p99.99(99.54%)d0.44(0.14%) 0.000000665 - 5.523899887
1021 RY*(10)O74 s(0.24%)p99.99(97.41%)d9.66(2.34%) 0.000000554 - 4.575025348
1022 RY*(11)O74 s(45.73%)p0.64(29.19%)d0.55(25.08%) 0.000004213 - 1.405762298
1023 RY*(12)O74 s(0.04%)p99.99(99.35%)d16.10(0.61%) 0.000001574 - 5.168778883
1024 RY*(13)O74 s(0.11%)p80.83(8.95%)d99.99(90.94%) 0.000000371 - 1.929331322
1025 RY*(14)O74 s(0.18%)p2.77(0.50%)d99.99(99.32%) 0.000000103 - 6.671029330
1026 RY*(15)O74 s(0.54%)p15.15(8.15%)d99.99(91.31%) 0.000000896 - 1.823845242
1027 RY*(16)O74 s(0.26%)p1.36(0.35%)d99.99(99.39%) 0.000000082 - 6.653862349
1028 RY*(17)O74 s(0.34%)p7.20(2.48%)d99.99(97.18%) 0.000003238 - 2.131624089
1029 RY*(18)O74 s(0.03%)p8.32(0.24%)d99.99(99.73%) 0.000000078 - 6.751113686
1030 RY*(19)O74 s(16.13%)p3.65(58.78%)d1.56(25.09%) 0.000006629 - 1.283154100
1031 RY*(20)O74 s(0.56%)p11.39(6.35%)d99.99(93.09%) 0.000000174 - 6.413640992
1032 RY*(21)O74 s(1.33%)p6.06(8.08%)d68.02(90.59%) 0.000001004 - 2.244722866
1033 RY*(22)O74 s(0.05%)p45.24(2.21%)d99.99(97.74%) 0.000000111 - 6.674219490
1034 RY*(1)H75 s(0.50%)p99.99(99.50%) 0.001448637 - 1.671364969
1035 RY*(2)H75 s(7.95%)p11.58(92.05%) 0.001064814 - 1.762468598
1036 RY*(3)H75 s(93.24%)p0.07(6.76%) 0.000491450 - 1.878243475
1037 RY*(4)H75 s(95.93%)p0.04(4.07%) 0.000155096 - 0.595709341
1038 RY*(5)H75 s(2.44%)p39.90(97.56%) 0.000006008 - 2.720390312
1039 RY*(1)H76 s(85.92%)p0.16(14.08%) 0.001727933 - 1.897748381
1040 RY*(2)H76 s(1.35%)p73.12(98.65%) 0.000917600 - 1.827865546
1041 RY*(3)H76 s(9.73%)p9.28(90.27%) 0.000626442 - 2.012480034
1042 RY*(4)H76 s(40.05%)p1.50(59.95%) 0.000071542 - 1.821553531
1043 RY*(5)H76 s(63.01%)p0.59(36.99%) 0.000039495 - 2.394783591
1044 RY*(1)O77 s(0.08%)p99.99(99.07%)d10.77(0.86%) 0.002340805 - 0.439009583
1045 RY*(2)O77 s(78.22%)p0.24(19.01%)d0.04(2.78%) 0.001690832 - 0.645756705
1046 RY*(3)O77 s(0.47%)p99.99(93.44%)d12.95(6.09%) 0.000855882 - 0.503488497
1047 RY*(4)O77 s(15.33%)p5.30(81.33%)d0.22(3.34%) 0.000401866 - 0.563630329
1048 RY*(5)O77 s(30.08%)p2.19(66.02%)d0.13(3.90%) 0.000176479 - 1.658467659
1049 RY*(6)O77 s(0.43%)p99.99(86.75%)d29.60(12.81%) 0.000129440 - 1.487450916
1050 RY*(7)O77 s(2.90%)p22.00(63.84%)d11.46(33.25%) 0.000133160 - 1.584068057
1051 RY*(8)O77 s(1.19%)p8.57(10.19%)d74.50(88.62%) 0.000067945 - 1.874222651
1052 RY*(9)O77 s(58.06%)p0.59(34.04%)d0.14(7.89%) 0.000039447 - 1.649421693
1053 RY*(10)O77 s(6.54%)p2.16(14.14%)d12.13(79.32%) 0.000019055 - 2.395259935
1054 RY*(11)O77 s(3.53%)p3.46(12.22%)d23.86(84.25%) 0.000024819 - 2.606316039
1055 RY*(12)O77 s(0.08%)p99.99(30.90%)d99.99(69.01%) 0.000016772 - 1.904832982
1056 RY*(13)O77 s(0.03%)p99.99(93.51%)d99.99(6.46%) 0.000004202 - 5.707140955
1057 RY*(14)O77 s(0.00%)p1.00(0.11%)d99.99(99.89%) 0.000000130 - 6.517699711
1058 RY*(15)O77 s(0.73%)p4.06(2.95%)d99.99(96.33%) 0.000009803 - 2.495354680
1059 RY*(16)O77 s(0.00%)p1.00(0.13%)d99.99(99.86%) 0.000000178 - 6.529017934
1060 RY*(17)O77 s(99.91%)p0.00(0.03%)d0.00(0.06%) 0.000000129 - 49.615309994
1061 RY*(18)O77 s(0.04%)p16.69(0.65%)d99.99(99.31%) 0.000000441 - 6.736283817
1062 RY*(19)O77 s(1.72%)p56.12(96.36%)d1.12(1.92%) 0.000002284 - 4.843877191
1063 RY*(20)O77 s(0.04%)p11.71(0.50%)d99.99(99.46%) 0.000001144 - 6.770738038
1064 RY*(21)O77 s(0.50%)p99.99(94.60%)d9.79(4.90%) 0.000002761 - 5.221288405
1065 RY*(22)O77 s(0.15%)p3.63(0.54%)d99.99(99.31%) 0.000000611 - 6.789382789
1066 RY*(1)H78 s(82.51%)p0.21(17.49%) 0.001601236 - 1.915234525
1067 RY*(2)H78 s(1.95%)p50.35(98.05%) 0.000957478 - 1.821344625
1068 RY*(3)H78 s(12.69%)p6.88(87.31%) 0.000626415 - 2.002680993
1069 RY*(4)H78 s(37.74%)p1.65(62.26%) 0.000074464 - 1.835587429
1070 RY*(5)H78 s(65.18%)p0.53(34.82%) 0.000036775 - 2.352956312
1071 RY*(1)O79 s(23.83%)p3.19(76.04%)d0.01(0.13%) 0.000351705 - 0.595443424
1072 RY*(2)O79 s(56.84%)p0.69(39.41%)d0.07(3.75%) 0.000299834 - 0.782889439
1073 RY*(3)O79 s(5.48%)p16.81(92.16%)d0.43(2.36%) 0.000200623 - 0.610693156
1074 RY*(4)O79 s(24.09%)p2.55(61.52%)d0.60(14.39%) 0.000060577 - 1.300677231
1075 RY*(5)O79 s(3.51%)p26.28(92.11%)d1.25(4.39%) 0.000042370 - 0.560332706
1076 RY*(6)O79 s(0.01%)p99.99(99.97%)d1.31(0.02%) 0.000001770 - 5.707753085
1077 RY*(7)O79 s(0.03%)p99.99(99.40%)d19.90(0.57%) 0.000009813 - 1.088897498
1078 RY*(8)O79 s(83.36%)p0.17(13.89%)d0.03(2.75%) 0.000011008 - 1.536672954
1079 RY*(9)O79 s(0.01%)p1.00(99.97%)d0.00(0.02%) 0.000000954 - 5.115951612
1080 RY*(10)O79 s(99.99%)p0.00(0.01%)d0.00(0.01%) 0.000000007 - 49.787811507
1081 RY*(11)O79 s(0.66%)p99.99(97.86%)d2.25(1.48%) 0.000003234 - 1.043423030
1082 RY*(12)O79 s(0.00%)p1.00(99.95%)d0.00(0.05%) 0.000001965 - 5.368415161
1083 RY*(13)O79 s(0.05%)p34.66(1.81%)d99.99(98.14%) 0.000003744 - 1.936371378
1084 RY*(14)O79 s(0.68%)p0.24(0.16%)d99.99(99.16%) 0.000000698 - 6.725745796
1085 RY*(15)O79 s(0.02%)p99.99(8.32%)d99.99(91.65%) 0.000004240 - 2.045090464
1086 RY*(16)O79 s(0.86%)p0.42(0.36%)d99.99(98.78%) 0.000000389 - 6.793440573
1087 RY*(17)O79 s(0.12%)p4.56(0.56%)d99.99(99.32%) 0.000001944 - 2.164621264
1088 RY*(18)O79 s(0.02%)p5.95(0.14%)d99.99(99.84%) 0.000000108 - 6.815155949
1089 RY*(19)O79 s(0.09%)p99.99(10.68%)d99.99(89.23%) 0.000002600 - 2.398087323
1090 RY*(20)O79 s(0.04%)p52.38(2.14%)d99.99(97.82%) 0.000000089 - 6.830836784
1091 RY*(21)O79 s(0.07%)p46.63(3.22%)d99.99(96.71%) 0.000000688 - 2.208010932
1092 RY*(22)O79 s(0.28%)p2.67(0.75%)d99.99(98.96%) 0.000000096 - 6.797208896
1093 RY*(1)H80 s(3.93%)p24.47(96.07%) 0.001514473 - 1.835509109
1094 RY*(2)H80 s(28.07%)p2.56(71.93%) 0.001423488 - 1.758523122
1095 RY*(3)H80 s(68.37%)p0.46(31.63%) 0.000833460 - 1.972314857
1096 RY*(4)H80 s(95.79%)p0.04(4.21%) 0.000225847 - 1.460202128
1097 RY*(5)H80 s(3.89%)p24.70(96.11%) 0.000013760 - 2.848537908
1098 RY*(1)H81 s(0.50%)p99.99(99.50%) 0.001681441 - 1.756470198
1099 RY*(2)H81 s(0.80%)p99.99(99.20%) 0.001257924 - 1.889177592
1100 RY*(3)H81 s(98.77%)p0.01(1.23%) 0.000410883 - 1.339059397
1101 RY*(4)H81 s(96.51%)p0.04(3.49%) 0.000252497 - 1.474680665
1102 RY*(5)H81 s(3.49%)p27.62(96.51%) 0.000002076 - 2.827562487
1103 RY*(1)O82 s(23.83%)p3.19(76.04%)d0.01(0.13%) 0.000351705 - 0.595443426
1104 RY*(2)O82 s(56.84%)p0.69(39.41%)d0.07(3.75%) 0.000299834 - 0.782889437
1105 RY*(3)O82 s(5.48%)p16.81(92.16%)d0.43(2.36%) 0.000200623 - 0.610693157
1106 RY*(4)O82 s(24.09%)p2.55(61.52%)d0.60(14.39%) 0.000060577 - 1.300677231
1107 RY*(5)O82 s(3.51%)p26.28(92.11%)d1.25(4.39%) 0.000042370 - 0.560332706
1108 RY*(6)O82 s(0.01%)p99.99(99.97%)d1.31(0.02%) 0.000001770 - 5.707753085
1109 RY*(7)O82 s(0.03%)p99.99(99.40%)d19.90(0.57%) 0.000009813 - 1.088897498
1110 RY*(8)O82 s(83.36%)p0.17(13.89%)d0.03(2.75%) 0.000011008 - 1.536672957
1111 RY*(9)O82 s(0.01%)p1.00(99.97%)d0.00(0.02%) 0.000000954 - 5.115951612
1112 RY*(10)O82 s(99.99%)p0.00(0.01%)d0.00(0.01%) 0.000000007 - 49.787811507
1113 RY*(11)O82 s(0.66%)p99.99(97.86%)d2.25(1.48%) 0.000003234 - 1.043423030
1114 RY*(12)O82 s(0.00%)p1.00(99.95%)d0.00(0.05%) 0.000001965 - 5.368415161
1115 RY*(13)O82 s(0.05%)p34.66(1.81%)d99.99(98.14%) 0.000003744 - 1.936371377
1116 RY*(14)O82 s(0.68%)p0.24(0.16%)d99.99(99.16%) 0.000000698 - 6.725745796
1117 RY*(15)O82 s(0.02%)p99.99(8.32%)d99.99(91.65%) 0.000004240 - 2.045090464
1118 RY*(16)O82 s(0.86%)p0.42(0.36%)d99.99(98.78%) 0.000000389 - 6.793440571
1119 RY*(17)O82 s(0.12%)p4.56(0.56%)d99.99(99.32%) 0.000001944 - 2.164621264
1120 RY*(18)O82 s(0.02%)p5.95(0.14%)d99.99(99.84%) 0.000000108 - 6.815155949
1121 RY*(19)O82 s(0.09%)p99.99(10.68%)d99.99(89.23%) 0.000002600 - 2.398087323
1122 RY*(20)O82 s(0.04%)p52.38(2.14%)d99.99(97.82%) 0.000000089 - 6.830836784
1123 RY*(21)O82 s(0.07%)p46.63(3.22%)d99.99(96.71%) 0.000000688 - 2.208010931
1124 RY*(22)O82 s(0.28%)p2.67(0.75%)d99.99(98.96%) 0.000000096 - 6.797208896
1125 RY*(1)H83 s(3.93%)p24.47(96.07%) 0.001514473 - 1.835509109
1126 RY*(2)H83 s(28.07%)p2.56(71.93%) 0.001423488 - 1.758523122
1127 RY*(3)H83 s(68.37%)p0.46(31.63%) 0.000833460 - 1.972314857
1128 RY*(4)H83 s(95.79%)p0.04(4.21%) 0.000225847 - 1.460202128
1129 RY*(5)H83 s(3.89%)p24.70(96.11%) 0.000013760 - 2.848537908
1130 RY*(1)H84 s(0.50%)p99.99(99.50%) 0.001681441 - 1.756470198
1131 RY*(2)H84 s(0.80%)p99.99(99.20%) 0.001257924 - 1.889177592
1132 RY*(3)H84 s(98.77%)p0.01(1.23%) 0.000410883 - 1.339059396
1133 RY*(4)H84 s(96.51%)p0.04(3.49%) 0.000252497 - 1.474680666
1134 RY*(5)H84 s(3.49%)p27.62(96.51%) 0.000002076 - 2.827562487
1135 RY*(1)O85 s(32.45%)p2.08(67.46%)d0.00(0.08%) 0.000343304 - 0.542847034
1136 RY*(2)O85 s(37.77%)p1.40(52.87%)d0.25(9.35%) 0.000228053 - 1.116745780
1137 RY*(3)O85 s(0.00%)p1.00(99.70%)d0.00(0.30%) 0.000125373 - 0.309660366
1138 RY*(4)O85 s(64.50%)p0.53(34.50%)d0.02(1.00%) 0.000073511 - 0.986438246
1139 RY*(5)O85 s(2.03%)p38.21(77.47%)d10.12(20.51%) 0.000020141 - 1.020926188
1140 RY*(6)O85 s(0.03%)p99.99(99.86%)d3.53(0.11%) 0.000001940 - 5.574282015
1141 RY*(7)O85 s(43.93%)p1.24(54.63%)d0.03(1.44%) 0.000001095 - 1.146395824
1142 RY*(8)O85 s(12.34%)p7.05(86.95%)d0.06(0.71%) 0.000003679 - 0.972174159
1143 RY*(9)O85 s(1.61%)p60.99(98.33%)d0.04(0.06%) 0.000001845 - 5.318354267
1144 RY*(10)O85 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000009501 - 1.059852389
1145 RY*(11)O85 s(99.98%)p0.00(0.02%)d0.00(0.00%) 0.000000010 - 49.684481046
1146 RY*(12)O85 s(0.00%)p1.00(100.00%) 0.000000519 - 4.940757235
1147 RY*(13)O85 s(0.62%)p19.58(12.07%)d99.99(87.32%) 0.000003026 - 1.997918667
1148 RY*(14)O85 s(0.00%)p1.00(0.27%)d99.99(99.73%) 0.000000338 - 6.868202755
1149 RY*(15)O85 s(0.00%)p1.00(0.06%)d99.99(99.94%) 0.000000599 - 1.851467050
1150 RY*(16)O85 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000080 - 6.688800027
1151 RY*(17)O85 s(0.00%)p1.00(0.29%)d99.99(99.71%) 0.000000138 - 1.805866181
1152 RY*(18)O85 s(0.00%)p1.00(0.08%)d99.99(99.92%) 0.000000032 - 6.673502055
1153 RY*(19)O85 s(2.45%)p1.54(3.77%)d38.22(93.78%) 0.000000377 - 2.824586531
1154 RY*(20)O85 s(0.74%)p1.50(1.10%)d99.99(98.16%) 0.000000133 - 6.908909301
1155 RY*(21)O85 s(1.54%)p7.12(10.94%)d57.02(87.53%) 0.000002981 - 1.897945390
1156 RY*(22)O85 s(0.05%)p1.04(0.05%)d99.99(99.90%) 0.000000050 - 6.771975028
1157 RY*(1)H86 s(0.00%)p1.00(100.00%) 0.001629695 - 1.822141506
1158 RY*(2)H86 s(18.92%)p4.28(81.08%) 0.001290385 - 1.754170515
1159 RY*(3)H86 s(83.76%)p0.19(16.24%) 0.000645286 - 1.986889482
1160 RY*(4)H86 s(91.91%)p0.09(8.09%) 0.000125705 - 1.238413031
1161 RY*(5)H86 s(5.46%)p17.33(94.54%) 0.000020481 - 2.740733874
1162 RY*(1)H87 s(0.00%)p1.00(100.00%) 0.001519826 - 1.752527718
1163 RY*(2)H87 s(2.30%)p42.41(97.70%) 0.001161902 - 1.861242066
1164 RY*(3)H87 s(98.62%)p0.01(1.38%) 0.000408129 - 0.666927283
1165 RY*(4)H87 s(96.39%)p0.04(3.61%) 0.000339109 - 2.102983686
1166 RY*(5)H87 s(2.76%)p35.29(97.24%) 0.000000958 - 2.802056438
1167 RY*(1)O88 s(2.24%)p42.54(95.27%)d1.11(2.49%) 0.000744758 - 0.457527903
1168 RY*(2)O88 s(22.96%)p3.23(74.20%)d0.12(2.84%) 0.000482924 - 0.505315147
1169 RY*(3)O88 s(51.59%)p0.77(39.83%)d0.17(8.58%) 0.000239049 - 0.761450281
1170 RY*(4)O88 s(20.63%)p3.57(73.62%)d0.28(5.75%) 0.000151973 - 0.653537574
1171 RY*(5)O88 s(38.48%)p1.54(59.26%)d0.06(2.26%) 0.000111774 - 1.368560966
1172 RY*(6)O88 s(9.05%)p4.98(45.12%)d5.06(45.83%) 0.000094957 - 1.752169841
1173 RY*(7)O88 s(4.74%)p11.08(52.48%)d9.03(42.78%) 0.000080150 - 1.620604326
1174 RY*(8)O88 s(15.19%)p3.93(59.74%)d1.65(25.07%) 0.000048927 - 1.746033383
1175 RY*(9)O88 s(3.95%)p14.06(55.45%)d10.29(40.60%) 0.000019349 - 1.889625674
1176 RY*(10)O88 s(99.94%)p0.00(0.04%)d0.00(0.01%) 0.000000024 - 49.699700314
1177 RY*(11)O88 s(1.37%)p68.72(93.92%)d3.45(4.71%) 0.000001530 - 5.349118114
1178 RY*(12)O88 s(0.87%)p99.99(98.60%)d0.60(0.52%) 0.000003133 - 5.248142789
1179 RY*(13)O88 s(3.12%)p0.83(2.60%)d30.26(94.29%) 0.000003811 - 1.845615485
1180 RY*(14)O88 s(0.08%)p3.75(0.32%)d99.99(99.60%) 0.000000451 - 6.700372234
1181 RY*(15)O88 s(18.42%)p1.59(29.31%)d2.84(52.27%) 0.000009564 - 1.729203131
1182 RY*(16)O88 s(0.94%)p1.63(1.53%)d99.99(97.52%) 0.000000724 - 6.725521592
1183 RY*(17)O88 s(0.07%)p99.99(99.51%)d5.62(0.42%) 0.000001943 - 5.053127634
1184 RY*(18)O88 s(0.03%)p54.91(1.72%)d99.99(98.24%) 0.000000551 - 6.719244476
1185 RY*(19)O88 s(1.35%)p4.68(6.30%)d68.56(92.35%) 0.000002591 - 2.239263009
1186 RY*(20)O88 s(0.15%)p8.19(1.20%)d99.99(98.65%) 0.000000606 - 6.761496459
1187 RY*(21)O88 s(4.82%)p1.81(8.73%)d17.92(86.45%) 0.000009351 - 2.264662714
1188 RY*(22)O88 s(0.05%)p31.23(1.61%)d99.99(98.34%) 0.000001016 - 6.736591502
1189 RY*(1)H89 s(44.11%)p1.27(55.89%) 0.001474422 - 1.570070909
1190 RY*(2)H89 s(13.29%)p6.52(86.71%) 0.001364924 - 1.768562725
1191 RY*(3)H89 s(47.91%)p1.09(52.09%) 0.000624812 - 1.996014695
1192 RY*(4)H89 s(92.57%)p0.08(7.43%) 0.000319897 - 1.455527741
1193 RY*(5)H89 s(2.16%)p45.31(97.84%) 0.000029569 - 2.855828637
1194 RY*(1)H90 s(87.65%)p0.14(12.35%) 0.001996302 - 1.466560445
1195 RY*(2)H90 s(0.13%)p99.99(99.87%) 0.001068007 - 1.826570382
1196 RY*(3)H90 s(11.78%)p7.49(88.22%) 0.000733879 - 2.042815527
1197 RY*(4)H90 s(97.28%)p0.03(2.72%) 0.000266225 - 1.684616710
1198 RY*(5)H90 s(3.22%)p30.04(96.78%) 0.000011318 - 2.741453891
1199 RY*(1)O91 s(2.24%)p42.54(95.27%)d1.11(2.49%) 0.000744758 - 0.457527903
1200 RY*(2)O91 s(22.96%)p3.23(74.20%)d0.12(2.84%) 0.000482924 - 0.505315146
1201 RY*(3)O91 s(51.59%)p0.77(39.83%)d0.17(8.58%) 0.000239049 - 0.761450282
1202 RY*(4)O91 s(20.63%)p3.57(73.62%)d0.28(5.75%) 0.000151973 - 0.653537575
1203 RY*(5)O91 s(38.48%)p1.54(59.26%)d0.06(2.26%) 0.000111774 - 1.368560965
1204 RY*(6)O91 s(9.05%)p4.98(45.12%)d5.06(45.83%) 0.000094957 - 1.752169843
1205 RY*(7)O91 s(4.74%)p11.08(52.48%)d9.03(42.78%) 0.000080150 - 1.620604325
1206 RY*(8)O91 s(15.19%)p3.93(59.74%)d1.65(25.07%) 0.000048927 - 1.746033383
1207 RY*(9)O91 s(3.95%)p14.06(55.45%)d10.29(40.60%) 0.000019349 - 1.889625676
1208 RY*(10)O91 s(99.94%)p0.00(0.04%)d0.00(0.01%) 0.000000024 - 49.699700314
1209 RY*(11)O91 s(1.37%)p68.72(93.92%)d3.45(4.71%) 0.000001530 - 5.349118113
1210 RY*(12)O91 s(0.87%)p99.99(98.60%)d0.60(0.52%) 0.000003133 - 5.248142789
1211 RY*(13)O91 s(3.12%)p0.83(2.60%)d30.26(94.29%) 0.000003811 - 1.845615484
1212 RY*(14)O91 s(0.08%)p3.75(0.32%)d99.99(99.60%) 0.000000451 - 6.700372234
1213 RY*(15)O91 s(18.42%)p1.59(29.31%)d2.84(52.27%) 0.000009564 - 1.729203131
1214 RY*(16)O91 s(0.94%)p1.63(1.53%)d99.99(97.52%) 0.000000724 - 6.725521592
1215 RY*(17)O91 s(0.07%)p99.99(99.51%)d5.62(0.42%) 0.000001943 - 5.053127634
1216 RY*(18)O91 s(0.03%)p54.91(1.72%)d99.99(98.24%) 0.000000551 - 6.719244476
1217 RY*(19)O91 s(1.35%)p4.68(6.30%)d68.56(92.35%) 0.000002591 - 2.239263009
1218 RY*(20)O91 s(0.15%)p8.19(1.20%)d99.99(98.65%) 0.000000606 - 6.761496459
1219 RY*(21)O91 s(4.82%)p1.81(8.73%)d17.92(86.45%) 0.000009351 - 2.264662715
1220 RY*(22)O91 s(0.05%)p31.23(1.61%)d99.99(98.34%) 0.000001016 - 6.736591502
1221 RY*(1)H92 s(44.11%)p1.27(55.89%) 0.001474422 - 1.570070909
1222 RY*(2)H92 s(13.29%)p6.52(86.71%) 0.001364924 - 1.768562725
1223 RY*(3)H92 s(47.91%)p1.09(52.09%) 0.000624812 - 1.996014695
1224 RY*(4)H92 s(92.57%)p0.08(7.43%) 0.000319897 - 1.455527741
1225 RY*(5)H92 s(2.16%)p45.31(97.84%) 0.000029569 - 2.855828637
1226 RY*(1)H93 s(87.65%)p0.14(12.35%) 0.001996302 - 1.466560445
1227 RY*(2)H93 s(0.13%)p99.99(99.87%) 0.001068007 - 1.826570382
1228 RY*(3)H93 s(11.78%)p7.49(88.22%) 0.000733879 - 2.042815527
1229 RY*(4)H93 s(97.28%)p0.03(2.72%) 0.000266225 - 1.684616710
1230 RY*(5)H93 s(3.22%)p30.04(96.78%) 0.000011318 - 2.741453891
1231 RY*(1)O94 s(41.27%)p1.40(57.66%)d0.03(1.07%) 0.002376608 - 0.525931819
1232 RY*(2)O94 s(20.79%)p3.69(76.64%)d0.12(2.57%) 0.001064492 - 0.443483302
1233 RY*(3)O94 s(34.38%)p1.87(64.39%)d0.04(1.24%) 0.000771813 - 0.656874681
1234 RY*(4)O94 s(0.00%)p1.00(98.04%)d0.02(1.96%) 0.000523986 - 0.444443692
1235 RY*(5)O94 s(0.00%)p1.00(73.07%)d0.37(26.93%) 0.000202868 - 1.400820443
1236 RY*(6)O94 s(67.19%)p0.47(31.34%)d0.02(1.47%) 0.000163155 - 1.438016798
1237 RY*(7)O94 s(17.60%)p4.31(75.80%)d0.37(6.60%) 0.000114810 - 1.487659658
1238 RY*(8)O94 s(0.00%)p1.00(23.70%)d3.22(76.30%) 0.000101854 - 1.810793773
1239 RY*(9)O94 s(6.01%)p12.27(73.80%)d3.36(20.19%) 0.000069476 - 1.463049884
1240 RY*(10)O94 s(5.45%)p1.48(8.04%)d15.88(86.51%) 0.000037857 - 2.230188367
1241 RY*(11)O94 s(0.00%)p1.00(7.95%)d11.57(92.05%) 0.000020673 - 1.972721927
1242 RY*(12)O94 s(6.02%)p2.04(12.29%)d13.57(81.69%) 0.000025446 - 2.418634834
1243 RY*(13)O94 s(0.09%)p99.99(99.25%)d7.52(0.66%) 0.000004111 - 5.439354455
1244 RY*(14)O94 s(0.02%)p14.67(0.34%)d99.99(99.64%) 0.000000472 - 6.624487312
1245 RY*(15)O94 s(99.93%)p0.00(0.05%)d0.00(0.02%) 0.000000055 - 49.551371512
1246 RY*(16)O94 s(0.00%)p1.00(0.06%)d99.99(99.94%) 0.000000167 - 6.577483012
1247 RY*(17)O94 s(0.37%)p99.99(97.52%)d5.67(2.11%) 0.000003065 - 5.522643581
1248 RY*(18)O94 s(0.00%)p1.00(0.14%)d99.99(99.86%) 0.000000452 - 6.649857927
1249 RY*(19)O94 s(0.87%)p1.77(1.53%)d99.99(97.60%) 0.000005035 - 2.959355917
1250 RY*(20)O94 s(0.03%)p37.81(0.95%)d99.99(99.02%) 0.000001524 - 6.869257211
1251 RY*(21)O94 s(0.00%)p1.00(97.11%)d0.03(2.89%) 0.000000648 - 4.979106477
1252 RY*(22)O94 s(0.03%)p23.87(0.65%)d99.99(99.32%) 0.000000543 - 6.626073427
1253 RY*(1)H95 s(62.68%)p0.60(37.32%) 0.001361858 - 1.827475061
1254 RY*(2)H95 s(0.00%)p1.00(100.00%) 0.001089710 - 1.829863065
1255 RY*(3)H95 s(36.15%)p1.77(63.85%) 0.000605694 - 1.924567510
1256 RY*(4)H95 s(96.51%)p0.04(3.49%) 0.000126141 - 1.161772914
1257 RY*(5)H95 s(4.71%)p20.25(95.29%) 0.000074154 - 3.001558386
1258 RY*(1)H96 s(66.30%)p0.51(33.70%) 0.001332338 - 1.855151526
1259 RY*(2)H96 s(0.00%)p1.00(100.00%) 0.000908956 - 1.813882985
1260 RY*(3)H96 s(30.52%)p2.28(69.48%) 0.000608549 - 2.003395266
1261 RY*(4)H96 s(80.81%)p0.24(19.19%) 0.000097530 - 1.206102092
1262 RY*(5)H96 s(22.43%)p3.46(77.57%) 0.000056030 - 2.852379973
1263 RY*(1)O97 s(0.00%)p1.00(96.54%)d0.04(3.46%) 0.000813417 - 0.449977967
1264 RY*(2)O97 s(23.05%)p3.31(76.35%)d0.03(0.60%) 0.000480054 - 0.506029241
1265 RY*(3)O97 s(52.52%)p0.46(24.24%)d0.44(23.23%) 0.000310753 - 0.890170106
1266 RY*(4)O97 s(43.06%)p1.19(51.42%)d0.13(5.52%) 0.000080473 - 0.827663004
1267 RY*(5)O97 s(0.00%)p1.00(95.20%)d0.05(4.80%) 0.000079025 - 0.943361534
1268 RY*(6)O97 s(42.29%)p1.36(57.43%)d0.01(0.28%) 0.000014447 - 1.424215705
1269 RY*(7)O97 s(3.00%)p25.73(77.17%)d6.61(19.83%) 0.000020044 - 1.645313369
1270 RY*(8)O97 s(12.12%)p7.17(86.91%)d0.08(0.96%) 0.000008985 - 1.035306491
1271 RY*(9)O97 s(13.81%)p1.38(19.10%)d4.86(67.09%) 0.000013253 - 1.607335620
1272 RY*(10)O97 s(2.10%)p43.22(90.77%)d3.40(7.13%) 0.000000542 - 4.471469213
1273 RY*(11)O97 s(99.93%)p0.00(0.01%)d0.00(0.06%) 0.000000006 - 49.628460383
1274 RY*(12)O97 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000250 - 5.661847518
1275 RY*(13)O97 s(2.75%)p3.14(8.64%)d32.17(88.60%) 0.000004452 - 1.697969534
1276 RY*(14)O97 s(0.36%)p1.80(0.65%)d99.99(98.99%) 0.000000661 - 6.638226657
1277 RY*(15)O97 s(0.00%)p1.00(3.18%)d30.42(96.82%) 0.000001248 - 1.974660739
1278 RY*(16)O97 s(0.00%)p1.00(0.17%)d99.99(99.83%) 0.000000229 - 6.701901985
1279 RY*(17)O97 s(0.00%)p1.00(3.96%)d24.24(96.04%) 0.000000585 - 2.468234635
1280 RY*(18)O97 s(0.00%)p1.00(1.04%)d95.37(98.96%) 0.000000095 - 6.797188051
1281 RY*(19)O97 s(1.46%)p65.65(95.53%)d2.07(3.01%) 0.000002031 - 4.484511738
1282 RY*(20)O97 s(0.13%)p21.80(2.87%)d99.99(97.00%) 0.000000064 - 6.523628657
1283 RY*(21)O97 s(3.38%)p2.67(9.03%)d25.92(87.59%) 0.000007837 - 1.910187412
1284 RY*(22)O97 s(0.05%)p4.08(0.19%)d99.99(99.77%) 0.000000142 - 6.695025233
1285 RY*(1)H98 s(1.83%)p53.53(98.17%) 0.001592997 - 1.655872268
1286 RY*(2)H98 s(12.97%)p6.71(87.03%) 0.001202488 - 1.680182459
1287 RY*(3)H98 s(88.28%)p0.13(11.72%) 0.000528988 - 1.497944311
1288 RY*(4)H98 s(94.34%)p0.06(5.66%) 0.000360185 - 1.194807277
1289 RY*(5)H98 s(2.64%)p36.91(97.36%) 0.000006134 - 2.716332190
1290 RY*(1)H99 s(1.83%)p53.53(98.17%) 0.001592997 - 1.655872268
1291 RY*(2)H99 s(12.97%)p6.71(87.03%) 0.001202488 - 1.680182459
1292 RY*(3)H99 s(88.28%)p0.13(11.72%) 0.000528988 - 1.497944311
1293 RY*(4)H99 s(94.34%)p0.06(5.66%) 0.000360185 - 1.194807277
1294 RY*(5)H99 s(2.64%)p36.91(97.36%) 0.000006134 - 2.716332190
1295 RY*(1)O100 s(0.00%)p1.00(98.90%)d0.01(1.10%) 0.001896619 - 0.382644503
1296 RY*(2)O100 s(33.62%)p1.76(59.20%)d0.21(7.17%) 0.000477601 - 0.576121019
1297 RY*(3)O100 s(11.57%)p6.57(76.01%)d1.07(12.42%) 0.000417228 - 0.568318253
1298 RY*(4)O100 s(45.53%)p0.90(41.19%)d0.29(13.28%) 0.000196063 - 0.847425586
1299 RY*(5)O100 s(0.00%)p1.00(42.66%)d1.34(57.34%) 0.000081453 - 1.471093191
1300 RY*(6)O100 s(10.03%)p2.35(23.57%)d6.62(66.39%) 0.000072479 - 1.420121588
1301 RY*(7)O100 s(9.94%)p8.22(81.70%)d0.84(8.37%) 0.000039364 - 1.570739958
1302 RY*(8)O100 s(2.00%)p42.58(85.09%)d6.46(12.92%) 0.000015163 - 1.425215949
1303 RY*(9)O100 s(0.04%)p99.99(99.84%)d3.17(0.12%) 0.000001677 - 5.024037623
1304 RY*(10)O100 s(0.17%)p99.99(99.58%)d1.51(0.25%) 0.000001569 - 4.932366673
1305 RY*(11)O100 s(99.97%)p0.00(0.03%)d0.00(0.00%) 0.000000010 - 49.529867444
1306 RY*(12)O100 s(0.00%)p1.00(99.95%)d0.00(0.05%) 0.000000311 - 5.695804717
1307 RY*(13)O100 s(1.40%)p7.45(10.45%)d62.88(88.15%) 0.000002542 - 1.710070508
1308 RY*(14)O100 s(0.22%)p12.93(2.91%)d99.99(96.87%) 0.000000510 - 6.499707947
1309 RY*(15)O100 s(0.00%)p1.00(38.59%)d1.59(61.41%) 0.000008335 - 1.541759941
1310 RY*(16)O100 s(0.00%)p1.00(2.61%)d37.32(97.39%) 0.000000629 - 6.585429977
1311 RY*(17)O100 s(0.00%)p1.00(15.78%)d5.34(84.22%) 0.000002177 - 2.603114406
1312 RY*(18)O100 s(0.00%)p1.00(1.62%)d60.75(98.38%) 0.000000246 - 6.820485044
1313 RY*(19)O100 s(62.72%)p0.18(11.27%)d0.41(26.00%) 0.000005214 - 1.608853073
1314 RY*(20)O100 s(0.36%)p7.06(2.55%)d99.99(97.09%) 0.000000227 - 6.539318796
1315 RY*(21)O100 s(22.10%)p0.26(5.85%)d3.26(72.05%) 0.000007306 - 1.887499293
1316 RY*(22)O100 s(0.34%)p3.01(1.01%)d99.99(98.65%) 0.000000646 - 6.743840716
1317 RY*(1)H101 s(2.51%)p38.88(97.49%) 0.001210640 - 1.710027720
1318 RY*(2)H101 s(15.57%)p5.42(84.43%) 0.001016744 - 1.764507254
1319 RY*(3)H101 s(84.94%)p0.18(15.06%) 0.000512388 - 1.852438471
1320 RY*(4)H101 s(94.97%)p0.05(5.03%) 0.000211156 - 0.690516334
1321 RY*(5)H101 s(2.06%)p47.52(97.94%) 0.000010142 - 2.756035200
1322 RY*(1)H102 s(2.51%)p38.88(97.49%) 0.001210640 - 1.710027720
1323 RY*(2)H102 s(15.57%)p5.42(84.43%) 0.001016744 - 1.764507254
1324 RY*(3)H102 s(84.94%)p0.18(15.06%) 0.000512388 - 1.852438471
1325 RY*(4)H102 s(94.97%)p0.05(5.03%) 0.000211156 - 0.690516334
1326 RY*(5)H102 s(2.06%)p47.52(97.94%) 0.000010142 - 2.756035200

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)O1-H2 193, 194 1.998974227 - -0.840105158
2 BD(1)O1-H3 195, 196 1.999037879 - -0.782321538
3 BD(1)O4-H5 197, 198 1.999160363 - -0.925964670
4 BD(1)O4-H6 199, 200 1.999075790 - -0.880289159
5 BD(1)O7-H8 201, 202 1.999160363 - -0.925964670
6 BD(1)O7-H9 203, 204 1.999075790 - -0.880289159
7 BD(1)O10-H11 205, 206 1.998646708 - -0.871393478
8 BD(1)O10-H12 207, 208 1.998764247 - -0.829788253
9 BD(1)O13-H14 209, 210 1.999356621 - -0.910613252
10 BD(1)O13-H15 211, 212 1.999356621 - -0.910613252
11 BD(1)O16-H17 213, 214 1.998658936 - -0.840375231
12 BD(1)O16-H18 215, 216 1.998658936 - -0.840375231
13 BD(1)H19-O20 217, 218 1.999110700 - -0.922825196
14 BD(1)O20-H21 219, 220 1.999107400 - -0.922785776
15 BD(1)H22-O23 221, 222 1.999110700 - -0.922825196
16 BD(1)O23-H24 223, 224 1.999107400 - -0.922785776
17 BD(1)H25-O26 225, 226 1.998420390 - -0.844247774
18 BD(1)O26-H27 227, 228 1.998536756 - -0.844984554
19 BD(1)H28-O29 229, 230 1.998420390 - -0.844247774
20 BD(1)O29-H30 231, 232 1.998536756 - -0.844984554
21 BD(1)O31-H32 233, 234 1.999009850 - -0.844069669
22 BD(1)O31-H33 235, 236 1.998996736 - -0.785605076
23 BD(1)O34-H35 237, 238 1.999067164 - -0.798010636
24 BD(1)O34-H36 239, 240 1.998962822 - -0.855952533
25 BD(1)O37-H38 241, 242 1.998144826 - -0.908715180
26 BD(1)O37-H39 243, 244 1.998528212 - -0.868331828
27 BD(1)O40-H41 245, 246 1.998476407 - -0.885823845
28 BD(1)O40-H42 247, 248 1.998521426 - -0.844525206
29 BD(1)O43-H44 249, 250 1.999345647 - -0.900128788
30 BD(1)O43-H45 251, 252 1.999262768 - -0.900230992
31 BD(1)O46-H47 253, 254 1.999074557 - -0.851957909
32 BD(1)O46-H48 255, 256 1.998818353 - -0.870061617
33 BD(1)H49-O50 257, 258 1.999278047 - -0.907527133
34 BD(1)O50-H51 259, 260 1.999349374 - -0.907603762
35 BD(1)H52-O53 261, 262 1.998662648 - -0.846201469
36 BD(1)O53-H54 263, 264 1.998600426 - -0.846144764
37 BD(1)O55-H56 265, 266 1.999009850 - -0.844069669
38 BD(1)O55-H57 267, 268 1.998996736 - -0.785605076
39 BD(1)O58-H59 269, 270 1.998962822 - -0.855952533
40 BD(1)O58-H60 271, 272 1.999067164 - -0.798010636
41 BD(1)O61-H62 273, 274 1.998144826 - -0.908715180
42 BD(1)O61-H63 275, 276 1.998528212 - -0.868331828
43 BD(1)O64-H65 277, 278 1.998476407 - -0.885823845
44 BD(1)O64-H66 279, 280 1.998521426 - -0.844525206
45 BD(1)O67-H68 281, 282 1.999345647 - -0.900128788
46 BD(1)O67-H69 283, 284 1.999262768 - -0.900230992
47 BD(1)O70-H71 285, 286 1.998818353 - -0.870061617
48 BD(1)O70-H72 287, 288 1.999074557 - -0.851957909
49 BD(1)H73-O74 289, 290 1.999278047 - -0.907527133
50 BD(1)O74-H75 291, 292 1.999349374 - -0.907603762
51 BD(1)H76-O77 293, 294 1.998662648 - -0.846201469
52 BD(1)O77-H78 295, 296 1.998600426 - -0.846144764
53 BD(1)O79-H80 297, 298 1.998982904 - -0.838921706
54 BD(1)O79-H81 299, 300 1.998996302 - -0.780598649
55 BD(1)O82-H83 301, 302 1.998982904 - -0.838921706
56 BD(1)O82-H84 303, 304 1.998996302 - -0.780598649
57 BD(1)O85-H86 305, 306 1.998968526 - -0.862615157
58 BD(1)O85-H87 307, 308 1.999055643 - -0.803776891
59 BD(1)O88-H89 309, 310 1.998437106 - -0.890613700
60 BD(1)O88-H90 311, 312 1.998615282 - -0.849841468
61 BD(1)O91-H92 313, 314 1.998437106 - -0.890613700
62 BD(1)O91-H93 315, 316 1.998615282 - -0.849841468
63 BD(1)O94-H95 317, 318 1.998298854 - -0.922565115
64 BD(1)O94-H96 319, 320 1.998377227 - -0.881282935
65 BD(1)O97-H98 321, 322 1.999110584 - -0.921834011
66 BD(1)O97-H99 323, 324 1.999110584 - -0.921834011
67 BD(1)O100-H101 325, 326 1.999247169 - -0.899264614
68 BD(1)O100-H102 327, 328 1.999247169 - -0.899264614
69 CR(1)O1 329 1.999715099 - -18.772553396
70 CR(1)O4 330 1.999708637 - -18.872640517
71 CR(1)O7 331 1.999708636 - -18.872640507
72 CR(1)O10 332 1.999706582 - -18.803166361
73 CR(1)O13 333 1.999742153 - -18.923037809
74 CR(1)O16 334 1.999693970 - -18.834546630
75 CR(1)O20 335 1.999739163 - -18.936439595
76 CR(1)O23 336 1.999739163 - -18.936439595
77 CR(1)O26 337 1.999692387 - -18.839130351
78 CR(1)O29 338 1.999692387 - -18.839130351
79 CR(1)O31 339 1.999715256 - -18.776071075
80 CR(1)O34 340 1.999717303 - -18.788070030
81 CR(1)O37 341 1.999662415 - -18.842867339
82 CR(1)O40 342 1.999680177 - -18.819750194
83 CR(1)O43 343 1.999740874 - -18.912933797
84 CR(1)O46 344 1.999705165 - -18.864574132
85 CR(1)O50 345 1.999740213 - -18.920317927
86 CR(1)O53 346 1.999693345 - -18.840629390
87 CR(1)O55 347 1.999715256 - -18.776071075
88 CR(1)O58 348 1.999717303 - -18.788070030
89 CR(1)O61 349 1.999662414 - -18.842867329
90 CR(1)O64 350 1.999680177 - -18.819750194
91 CR(1)O67 351 1.999740874 - -18.912933797
92 CR(1)O70 352 1.999705165 - -18.864574132
93 CR(1)O74 353 1.999740213 - -18.920317927
94 CR(1)O77 354 1.999693345 - -18.840629390
95 CR(1)O79 355 1.999715643 - -18.771105869
96 CR(1)O82 356 1.999715643 - -18.771105869
97 CR(1)O85 357 1.999719211 - -18.794324526
98 CR(1)O88 358 1.999678574 - -18.824734368
99 CR(1)O91 359 1.999678574 - -18.824734368
100 CR(1)O94 360 1.999666141 - -18.856595783
101 CR(1)O97 361 1.999738623 - -18.935569456
102 CR(1)O100 362 1.999723485 - -18.913347006
103 LP(1)O1 363 1.996689118 - -0.507545764
104 LP(2)O1 364 1.994649284 - -0.261004680
105 LP(1)O4 365 1.996671219 - -0.496906384
106 LP(2)O4 366 1.981754393 - -0.474065114
107 LP(1)O7 367 1.996671219 - -0.496906384
108 LP(2)O7 368 1.981754392 - -0.474065114
109 LP(1)O10 369 1.996490228 - -0.535164338
110 LP(2)O10 370 1.993174234 - -0.299281055
111 LP(1)O13 371 1.997044188 - -0.543352306
112 LP(2)O13 372 1.989012820 - -0.490956255
113 LP(1)O16 373 1.986646236 - -0.473852129
114 LP(2)O16 374 1.979077946 - -0.389410032
115 LP(1)O20 375 1.996352106 - -0.558281168
116 LP(2)O20 376 1.987585875 - -0.501253048
117 LP(1)O23 377 1.996352106 - -0.558281168
118 LP(2)O23 378 1.987585875 - -0.501253048
119 LP(1)O26 379 1.986959639 - -0.468267722
120 LP(2)O26 380 1.976234827 - -0.404849491
121 LP(1)O29 381 1.986959639 - -0.468267722
122 LP(2)O29 382 1.976234827 - -0.404849491
123 LP(1)O31 383 1.997107474 - -0.512285800
124 LP(2)O31 384 1.994760278 - -0.266453757
125 LP(1)O34 385 1.997131908 - -0.524648174
126 LP(2)O34 386 1.995076631 - -0.277382617
127 LP(1)O37 387 1.980062876 - -0.577423474
128 LP(2)O37 388 1.977835657 - -0.341659989
129 LP(1)O40 389 1.995618732 - -0.447112253
130 LP(2)O40 390 1.976361657 - -0.421523293
131 LP(1)O43 391 1.997033039 - -0.531240701
132 LP(2)O43 392 1.987974767 - -0.482816022
133 LP(1)O46 393 1.988104428 - -0.499328742
134 LP(2)O46 394 1.981133894 - -0.424321840
135 LP(1)O50 395 1.997044422 - -0.539112679
136 LP(2)O50 396 1.988127298 - -0.490752054
137 LP(1)O53 397 1.986919252 - -0.473093147
138 LP(2)O53 398 1.977845207 - -0.401968044
139 LP(1)O55 399 1.997107474 - -0.512285800
140 LP(2)O55 400 1.994760278 - -0.266453757
141 LP(1)O58 401 1.997131908 - -0.524648174
142 LP(2)O58 402 1.995076631 - -0.277382617
143 LP(1)O61 403 1.980062875 - -0.577423474
144 LP(2)O61 404 1.977835657 - -0.341659989
145 LP(1)O64 405 1.995618732 - -0.447112253
146 LP(2)O64 406 1.976361657 - -0.421523293
147 LP(1)O67 407 1.997033039 - -0.531240701
148 LP(2)O67 408 1.987974767 - -0.482816022
149 LP(1)O70 409 1.988104428 - -0.499328742
150 LP(2)O70 410 1.981133894 - -0.424321840
151 LP(1)O74 411 1.997044422 - -0.539112679
152 LP(2)O74 412 1.988127298 - -0.490752054
153 LP(1)O77 413 1.986919252 - -0.473093147
154 LP(2)O77 414 1.977845207 - -0.401968044
155 LP(1)O79 415 1.996684757 - -0.505918894
156 LP(2)O79 416 1.994313906 - -0.260178607
157 LP(1)O82 417 1.996684757 - -0.505918894
158 LP(2)O82 418 1.994313906 - -0.260178607
159 LP(1)O85 419 1.997210928 - -0.530912486
160 LP(2)O85 420 1.994867349 - -0.282987060
161 LP(1)O88 421 1.995606716 - -0.450623733
162 LP(2)O88 422 1.975821836 - -0.429272091
163 LP(1)O91 423 1.995606716 - -0.450623733
164 LP(2)O91 424 1.975821836 - -0.429272091
165 LP(1)O94 425 1.980812764 - -0.592871229
166 LP(2)O94 426 1.978652311 - -0.353246392
167 LP(1)O97 427 1.996278296 - -0.557370511
168 LP(2)O97 428 1.987013284 - -0.500045767
169 LP(1)O100 429 1.989783261 - -0.551574030
170 LP(2)O100 430 1.982185887 - -0.466778088
171 RY*(1)O1 431 0.000323850 - 0.463669376
172 RY*(2)O1 432 0.000310825 - 0.842838385
173 RY*(3)O1 433 0.000150393 - 0.694966145
174 RY*(4)O1 434 0.000055977 - 1.053095795
175 RY*(5)O1 435 0.000039059 - 0.782351997
176 RY*(6)O1 436 0.000001714 - 5.680665464
177 RY*(7)O1 437 0.000000010 - 49.695236976
178 RY*(8)O1 438 0.000004613 - 1.474796587
179 RY*(9)O1 439 0.000002491 - 5.461415543
180 RY*(10)O1 440 0.000008866 - 1.078968543
181 RY*(11)O1 441 0.000001803 - 1.115848530
182 RY*(12)O1 442 0.000000509 - 4.993050876
183 RY*(13)O1 443 0.000003244 - 2.081950930
184 RY*(14)O1 444 0.000000360 - 6.881385112
185 RY*(15)O1 445 0.000003675 - 1.866652977
186 RY*(16)O1 446 0.000000806 - 6.721966923
187 RY*(17)O1 447 0.000000279 - 1.823420067
188 RY*(18)O1 448 0.000000057 - 6.708473693
189 RY*(19)O1 449 0.000001543 - 2.866606984
190 RY*(20)O1 450 0.000000090 - 6.898304071
191 RY*(21)O1 451 0.000003641 - 2.130129849
192 RY*(22)O1 452 0.000000081 - 6.800632690
193 RY*(1)H2 453 0.001477731 - 1.857321263
194 RY*(2)H2 454 0.001457755 - 1.712464178
195 RY*(3)H2 455 0.000857004 - 1.989863294
196 RY*(4)H2 456 0.000233788 - 1.457154503
197 RY*(5)H2 457 0.000013291 - 2.848493075
198 RY*(1)H3 458 0.001719103 - 1.757027687
199 RY*(2)H3 459 0.001300578 - 1.865114938
200 RY*(3)H3 460 0.000399529 - 1.444575184
201 RY*(4)H3 461 0.000190763 - 1.281087244
202 RY*(5)H3 462 0.000002182 - 2.816985440
203 RY*(1)O4 463 0.000641058 - 0.542565343
204 RY*(2)O4 464 0.000431118 - 0.442005877
205 RY*(3)O4 465 0.000312868 - 0.884559745
206 RY*(4)O4 466 0.000057670 - 0.858481668
207 RY*(5)O4 467 0.000032152 - 1.056416050
208 RY*(6)O4 468 0.000020508 - 1.204366047
209 RY*(7)O4 469 0.000003585 - 1.300404466
210 RY*(8)O4 470 0.000000006 - 49.653095823
211 RY*(9)O4 471 0.000000827 - 5.079907818
212 RY*(10)O4 472 0.000001102 - 5.602110882
213 RY*(11)O4 473 0.000003792 - 0.892261911
214 RY*(12)O4 474 0.000001642 - 5.224036389
215 RY*(13)O4 475 0.000002547 - 1.648218367
216 RY*(14)O4 476 0.000000240 - 6.625851164
217 RY*(15)O4 477 0.000003353 - 1.946341764
218 RY*(16)O4 478 0.000000287 - 6.705888276
219 RY*(17)O4 479 0.000001912 - 2.015556152
220 RY*(18)O4 480 0.000000087 - 6.698201170
221 RY*(19)O4 481 0.000003828 - 2.119067459
222 RY*(20)O4 482 0.000000434 - 6.624523796
223 RY*(21)O4 483 0.000001531 - 2.131091639
224 RY*(22)O4 484 0.000000201 - 6.595085917
225 RY*(1)H5 485 0.001712219 - 1.732415335
226 RY*(2)H5 486 0.001218584 - 1.828921906
227 RY*(3)H5 487 0.000470481 - 1.616327312
228 RY*(4)H5 488 0.000253800 - 0.850434661
229 RY*(5)H5 489 0.000006292 - 2.798225091
230 RY*(1)H6 490 0.001456168 - 1.716282605
231 RY*(2)H6 491 0.001115374 - 1.848461788
232 RY*(3)H6 492 0.000487922 - 0.855555387
233 RY*(4)H6 493 0.000373274 - 1.715389420
234 RY*(5)H6 494 0.000005675 - 2.744980994
235 RY*(1)O7 495 0.000641058 - 0.542565343
236 RY*(2)O7 496 0.000431118 - 0.442005877
237 RY*(3)O7 497 0.000312868 - 0.884559745
238 RY*(4)O7 498 0.000057670 - 0.858481668
239 RY*(5)O7 499 0.000032152 - 1.056416050
240 RY*(6)O7 500 0.000020508 - 1.204366048
241 RY*(7)O7 501 0.000003585 - 1.300404466
242 RY*(8)O7 502 0.000000006 - 49.653095823
243 RY*(9)O7 503 0.000000827 - 5.079907817
244 RY*(10)O7 504 0.000001102 - 5.602110882
245 RY*(11)O7 505 0.000003792 - 0.892261910
246 RY*(12)O7 506 0.000001642 - 5.224036388
247 RY*(13)O7 507 0.000002547 - 1.648218367
248 RY*(14)O7 508 0.000000240 - 6.625851164
249 RY*(15)O7 509 0.000003353 - 1.946341764
250 RY*(16)O7 510 0.000000287 - 6.705888276
251 RY*(17)O7 511 0.000001912 - 2.015556152
252 RY*(18)O7 512 0.000000087 - 6.698201170
253 RY*(19)O7 513 0.000003828 - 2.119067459
254 RY*(20)O7 514 0.000000434 - 6.624523796
255 RY*(21)O7 515 0.000001531 - 2.131091639
256 RY*(22)O7 516 0.000000201 - 6.595085917
257 RY*(1)H8 517 0.001712219 - 1.732415335
258 RY*(2)H8 518 0.001218584 - 1.828921906
259 RY*(3)H8 519 0.000470481 - 1.616327312
260 RY*(4)H8 520 0.000253800 - 0.850434661
261 RY*(5)H8 521 0.000006292 - 2.798225091
262 RY*(1)H9 522 0.001456168 - 1.716282605
263 RY*(2)H9 523 0.001115374 - 1.848461788
264 RY*(3)H9 524 0.000487922 - 0.855555387
265 RY*(4)H9 525 0.000373274 - 1.715389420
266 RY*(5)H9 526 0.000005675 - 2.744980994
267 RY*(1)O10 527 0.000341848 - 0.548477029
268 RY*(2)O10 528 0.000285151 - 0.768402241
269 RY*(3)O10 529 0.000267276 - 0.443633168
270 RY*(4)O10 530 0.000149589 - 0.815019006
271 RY*(5)O10 531 0.000094140 - 1.168726871
272 RY*(6)O10 532 0.000032558 - 1.083105029
273 RY*(7)O10 533 0.000042201 - 1.625095038
274 RY*(8)O10 534 0.000000020 - 49.703069356
275 RY*(9)O10 535 0.000003532 - 5.344156510
276 RY*(10)O10 536 0.000002794 - 5.672203825
277 RY*(11)O10 537 0.000008474 - 1.372457454
278 RY*(12)O10 538 0.000000888 - 4.952819503
279 RY*(13)O10 539 0.000008964 - 2.031860232
280 RY*(14)O10 540 0.000000467 - 6.859844113
281 RY*(15)O10 541 0.000000890 - 1.833880695
282 RY*(16)O10 542 0.000000126 - 6.676725199
283 RY*(17)O10 543 0.000002957 - 1.781200367
284 RY*(18)O10 544 0.000000585 - 6.652859124
285 RY*(19)O10 545 0.000001511 - 2.727013358
286 RY*(20)O10 546 0.000000245 - 6.825833441
287 RY*(21)O10 547 0.000005992 - 2.018651678
288 RY*(22)O10 548 0.000000258 - 6.704834592
289 RY*(1)H11 549 0.001558926 - 1.800226520
290 RY*(2)H11 550 0.001457862 - 1.545352997
291 RY*(3)H11 551 0.000649034 - 1.891319624
292 RY*(4)H11 552 0.000241092 - 1.463635763
293 RY*(5)H11 553 0.000030312 - 2.872197159
294 RY*(1)H12 554 0.001816106 - 1.438413482
295 RY*(2)H12 555 0.001163001 - 1.802458271
296 RY*(3)H12 556 0.000880960 - 2.065142546
297 RY*(4)H12 557 0.000229294 - 1.714164874
298 RY*(5)H12 558 0.000006394 - 2.707757067
299 RY*(1)O13 559 0.001553241 - 0.366662203
300 RY*(2)O13 560 0.000366168 - 0.473904507
301 RY*(3)O13 561 0.000175286 - 0.747665034
302 RY*(4)O13 562 0.000108118 - 0.723427913
303 RY*(5)O13 563 0.000030921 - 1.125759245
304 RY*(6)O13 564 0.000011459 - 1.624997473
305 RY*(7)O13 565 0.000017811 - 1.034280370
306 RY*(8)O13 566 0.000001081 - 4.608297447
307 RY*(9)O13 567 0.000002065 - 5.017448558
308 RY*(10)O13 568 0.000001804 - 1.363281848
309 RY*(11)O13 569 0.000007088 - 1.010580830
310 RY*(12)O13 570 0.000000132 - 5.583274119
311 RY*(13)O13 571 0.000000419 - 1.772060038
312 RY*(14)O13 572 0.000000042 - 6.630396691
313 RY*(15)O13 573 0.000000145 - 1.997650995
314 RY*(16)O13 574 0.000000034 - 6.705056151
315 RY*(17)O13 575 0.000000360 - 2.509332730
316 RY*(18)O13 576 0.000000061 - 6.819055408
317 RY*(19)O13 577 0.000000002 - 49.533790623
318 RY*(20)O13 578 0.000000122 - 6.451833808
319 RY*(21)O13 579 0.000006882 - 2.073282723
320 RY*(22)O13 580 0.000000075 - 6.682596141
321 RY*(1)H14 581 0.001470287 - 1.661470740
322 RY*(2)H14 582 0.001079396 - 1.766002516
323 RY*(3)H14 583 0.000482203 - 1.863050811
324 RY*(4)H14 584 0.000137609 - 0.561649066
325 RY*(5)H14 585 0.000008421 - 2.719709985
326 RY*(1)H15 586 0.001470287 - 1.661470740
327 RY*(2)H15 587 0.001079396 - 1.766002516
328 RY*(3)H15 588 0.000482203 - 1.863050811
329 RY*(4)H15 589 0.000137609 - 0.561649066
330 RY*(5)H15 590 0.000008421 - 2.719709985
331 RY*(1)O16 591 0.002358108 - 0.438411635
332 RY*(2)O16 592 0.001681236 - 0.648430364
333 RY*(3)O16 593 0.000930478 - 0.503926621
334 RY*(4)O16 594 0.000427751 - 0.567628649
335 RY*(5)O16 595 0.000182262 - 1.666237316
336 RY*(6)O16 596 0.000132292 - 1.507505142
337 RY*(7)O16 597 0.000121106 - 1.542057871
338 RY*(8)O16 598 0.000062380 - 1.856988199
339 RY*(9)O16 599 0.000036944 - 1.703889861
340 RY*(10)O16 600 0.000017771 - 2.842177512
341 RY*(11)O16 601 0.000019225 - 1.800726032
342 RY*(12)O16 602 0.000026646 - 2.463874888
343 RY*(13)O16 603 0.000006934 - 2.141227388
344 RY*(14)O16 604 0.000000179 - 6.554279857
345 RY*(15)O16 605 0.000002860 - 5.096710109
346 RY*(16)O16 606 0.000000144 - 6.546130735
347 RY*(17)O16 607 0.000000126 - 49.618703382
348 RY*(18)O16 608 0.000000371 - 6.741733224
349 RY*(19)O16 609 0.000002012 - 4.832539281
350 RY*(20)O16 610 0.000000977 - 6.734255168
351 RY*(21)O16 611 0.000004372 - 6.013458336
352 RY*(22)O16 612 0.000000879 - 6.773200521
353 RY*(1)H17 613 0.001666416 - 1.911933023
354 RY*(2)H17 614 0.000934126 - 1.830518150
355 RY*(3)H17 615 0.000631639 - 2.010639297
356 RY*(4)H17 616 0.000072704 - 1.873150650
357 RY*(5)H17 617 0.000037417 - 2.329849746
358 RY*(1)H18 618 0.001666416 - 1.911933023
359 RY*(2)H18 619 0.000934126 - 1.830518150
360 RY*(3)H18 620 0.000631639 - 2.010639297
361 RY*(4)H18 621 0.000072704 - 1.873150638
362 RY*(5)H18 622 0.000037417 - 2.329849758
363 RY*(1)H19 623 0.001553175 - 1.664200595
364 RY*(2)H19 624 0.001236943 - 1.648006951
365 RY*(3)H19 625 0.000536763 - 1.455321271
366 RY*(4)H19 626 0.000369508 - 1.281094815
367 RY*(5)H19 627 0.000007028 - 2.719179510
368 RY*(1)O20 628 0.000912903 - 0.449733202
369 RY*(2)O20 629 0.000515998 - 0.477529666
370 RY*(3)O20 630 0.000386953 - 0.891793645
371 RY*(4)O20 631 0.000085656 - 0.796627040
372 RY*(5)O20 632 0.000084673 - 0.998738367
373 RY*(6)O20 633 0.000039415 - 0.937702455
374 RY*(7)O20 634 0.000015242 - 1.590629911
375 RY*(8)O20 635 0.000018051 - 1.176829921
376 RY*(9)O20 636 0.000014922 - 2.422706301
377 RY*(10)O20 637 0.000000007 - 49.657378413
378 RY*(11)O20 638 0.000000580 - 4.589336530
379 RY*(12)O20 639 0.000001502 - 4.724502336
380 RY*(13)O20 640 0.000001789 - 1.871601751
381 RY*(14)O20 641 0.000000359 - 6.678738300
382 RY*(15)O20 642 0.000002872 - 1.675224436
383 RY*(16)O20 643 0.000000508 - 6.619980943
384 RY*(17)O20 644 0.000001577 - 2.128775672
385 RY*(18)O20 645 0.000000125 - 6.750297736
386 RY*(19)O20 646 0.000000715 - 5.297635790
387 RY*(20)O20 647 0.000000173 - 6.567063807
388 RY*(21)O20 648 0.000001731 - 2.166757822
389 RY*(22)O20 649 0.000000171 - 6.684979487
390 RY*(1)H21 650 0.001551836 - 1.664601068
391 RY*(2)H21 651 0.001236168 - 1.642355549
392 RY*(3)H21 652 0.000535573 - 1.420173987
393 RY*(4)H21 653 0.000375762 - 1.322843436
394 RY*(5)H21 654 0.000006662 - 2.718040978
395 RY*(1)H22 655 0.001553175 - 1.664200595
396 RY*(2)H22 656 0.001236943 - 1.648006951
397 RY*(3)H22 657 0.000536763 - 1.455321270
398 RY*(4)H22 658 0.000369508 - 1.281094816
399 RY*(5)H22 659 0.000007028 - 2.719179510
400 RY*(1)O23 660 0.000912903 - 0.449733202
401 RY*(2)O23 661 0.000515998 - 0.477529667
402 RY*(3)O23 662 0.000386953 - 0.891793645
403 RY*(4)O23 663 0.000085656 - 0.796627039
404 RY*(5)O23 664 0.000084673 - 0.998738367
405 RY*(6)O23 665 0.000039415 - 0.937702460
406 RY*(7)O23 666 0.000015242 - 1.590629910
407 RY*(8)O23 667 0.000018051 - 1.176829920
408 RY*(9)O23 668 0.000014922 - 2.422706303
409 RY*(10)O23 669 0.000000007 - 49.657378413
410 RY*(11)O23 670 0.000000580 - 4.589336529
411 RY*(12)O23 671 0.000001502 - 4.724502335
412 RY*(13)O23 672 0.000001789 - 1.871601751
413 RY*(14)O23 673 0.000000359 - 6.678738300
414 RY*(15)O23 674 0.000002872 - 1.675224436
415 RY*(16)O23 675 0.000000508 - 6.619980943
416 RY*(17)O23 676 0.000001577 - 2.128775673
417 RY*(18)O23 677 0.000000125 - 6.750297736
418 RY*(19)O23 678 0.000000715 - 5.297635788
419 RY*(20)O23 679 0.000000173 - 6.567063807
420 RY*(21)O23 680 0.000001731 - 2.166757821
421 RY*(22)O23 681 0.000000171 - 6.684979487
422 RY*(1)H24 682 0.001551836 - 1.664601068
423 RY*(2)H24 683 0.001236168 - 1.642355549
424 RY*(3)H24 684 0.000535573 - 1.420173987
425 RY*(4)H24 685 0.000375762 - 1.322843437
426 RY*(5)H24 686 0.000006662 - 2.718040978
427 RY*(1)H25 687 0.001488098 - 1.897446517
428 RY*(2)H25 688 0.000964130 - 1.827108264
429 RY*(3)H25 689 0.000573273 - 2.018391102
430 RY*(4)H25 690 0.000113580 - 1.041643330
431 RY*(5)H25 691 0.000060636 - 2.949935712
432 RY*(1)O26 692 0.002127883 - 0.458130941
433 RY*(2)O26 693 0.001656159 - 0.583367049
434 RY*(3)O26 694 0.000683460 - 0.491051658
435 RY*(4)O26 695 0.000371132 - 0.583847385
436 RY*(5)O26 696 0.000159805 - 1.355650196
437 RY*(6)O26 697 0.000145659 - 1.875405842
438 RY*(7)O26 698 0.000118693 - 1.400924746
439 RY*(8)O26 699 0.000077842 - 1.435047090
440 RY*(9)O26 700 0.000056561 - 1.851126891
441 RY*(10)O26 701 0.000031022 - 1.891574168
442 RY*(11)O26 702 0.000015026 - 2.559230247
443 RY*(12)O26 703 0.000002256 - 5.198122018
444 RY*(13)O26 704 0.000002881 - 5.641170818
445 RY*(14)O26 705 0.000000158 - 6.590770459
446 RY*(15)O26 706 0.000009110 - 2.121193756
447 RY*(16)O26 707 0.000000763 - 6.649627035
448 RY*(17)O26 708 0.000000135 - 49.666265064
449 RY*(18)O26 709 0.000000478 - 6.753741907
450 RY*(19)O26 710 0.000002091 - 4.908029668
451 RY*(20)O26 711 0.000001667 - 6.814028519
452 RY*(21)O26 712 0.000008884 - 2.659616226
453 RY*(22)O26 713 0.000001151 - 6.820572377
454 RY*(1)H27 714 0.002094578 - 1.829313114
455 RY*(2)H27 715 0.000867917 - 1.828871759
456 RY*(3)H27 716 0.000587324 - 2.042284926
457 RY*(4)H27 717 0.000102825 - 1.219308425
458 RY*(5)H27 718 0.000048582 - 2.853166061
459 RY*(1)H28 719 0.001488098 - 1.897446517
460 RY*(2)H28 720 0.000964130 - 1.827108263
461 RY*(3)H28 721 0.000573273 - 2.018391102
462 RY*(4)H28 722 0.000113580 - 1.041643331
463 RY*(5)H28 723 0.000060636 - 2.949935711
464 RY*(1)O29 724 0.002127883 - 0.458130941
465 RY*(2)O29 725 0.001656159 - 0.583367049
466 RY*(3)O29 726 0.000683460 - 0.491051658
467 RY*(4)O29 727 0.000371132 - 0.583847385
468 RY*(5)O29 728 0.000159805 - 1.355650195
469 RY*(6)O29 729 0.000145659 - 1.875405845
470 RY*(7)O29 730 0.000118693 - 1.400924746
471 RY*(8)O29 731 0.000077842 - 1.435047085
472 RY*(9)O29 732 0.000056561 - 1.851126895
473 RY*(10)O29 733 0.000031022 - 1.891574168
474 RY*(11)O29 734 0.000015026 - 2.559230247
475 RY*(12)O29 735 0.000002256 - 5.198122017
476 RY*(13)O29 736 0.000002881 - 5.641170819
477 RY*(14)O29 737 0.000000158 - 6.590770459
478 RY*(15)O29 738 0.000009110 - 2.121193756
479 RY*(16)O29 739 0.000000763 - 6.649627035
480 RY*(17)O29 740 0.000000135 - 49.666265063
481 RY*(18)O29 741 0.000000478 - 6.753741907
482 RY*(19)O29 742 0.000002091 - 4.908029669
483 RY*(20)O29 743 0.000001667 - 6.814028519
484 RY*(21)O29 744 0.000008884 - 2.659616226
485 RY*(22)O29 745 0.000001151 - 6.820572377
486 RY*(1)H30 746 0.002094578 - 1.829313114
487 RY*(2)H30 747 0.000867917 - 1.828871758
488 RY*(3)H30 748 0.000587324 - 2.042284926
489 RY*(4)H30 749 0.000102825 - 1.219308428
490 RY*(5)H30 750 0.000048582 - 2.853166058
491 RY*(1)O31 751 0.000359208 - 0.724331145
492 RY*(2)O31 752 0.000264800 - 0.686487016
493 RY*(3)O31 753 0.000220176 - 0.503398418
494 RY*(4)O31 754 0.000038648 - 0.754837430
495 RY*(5)O31 755 0.000005766 - 0.969584603
496 RY*(6)O31 756 0.000012692 - 1.281338088
497 RY*(7)O31 757 0.000013059 - 1.151137221
498 RY*(8)O31 758 0.000001730 - 5.660497965
499 RY*(9)O31 759 0.000000688 - 5.106057027
500 RY*(10)O31 760 0.000000009 - 49.656559468
501 RY*(11)O31 761 0.000008467 - 1.612605993
502 RY*(12)O31 762 0.000001550 - 5.366619466
503 RY*(13)O31 763 0.000003132 - 1.938757169
504 RY*(14)O31 764 0.000000299 - 6.534524931
505 RY*(15)O31 765 0.000003825 - 2.054711522
506 RY*(16)O31 766 0.000000311 - 6.740378732
507 RY*(17)O31 767 0.000001641 - 2.153672495
508 RY*(18)O31 768 0.000000075 - 6.805787418
509 RY*(19)O31 769 0.000003449 - 2.197093088
510 RY*(20)O31 770 0.000000102 - 6.765240658
511 RY*(21)O31 771 0.000000440 - 2.243724044
512 RY*(22)O31 772 0.000000061 - 6.759103977
513 RY*(1)H32 773 0.001466533 - 1.841755113
514 RY*(2)H32 774 0.001423397 - 1.623419734
515 RY*(3)H32 775 0.000809941 - 2.020904866
516 RY*(4)H32 776 0.000206922 - 1.480737148
517 RY*(5)H32 777 0.000011217 - 2.817634130
518 RY*(1)H33 778 0.001562789 - 1.767366317
519 RY*(2)H33 779 0.001144548 - 1.863886528
520 RY*(3)H33 780 0.000412885 - 0.847518249
521 RY*(4)H33 781 0.000331788 - 1.982715393
522 RY*(5)H33 782 0.000001473 - 2.822648806
523 RY*(1)O34 783 0.000393648 - 0.589498629
524 RY*(2)O34 784 0.000258106 - 0.871697926
525 RY*(3)O34 785 0.000097784 - 0.845641210
526 RY*(4)O34 786 0.000063060 - 0.767932062
527 RY*(5)O34 787 0.000030117 - 0.941311370
528 RY*(6)O34 788 0.000002019 - 5.685036173
529 RY*(7)O34 789 0.000000008 - 49.696629716
530 RY*(8)O34 790 0.000004007 - 1.212501175
531 RY*(9)O34 791 0.000001989 - 5.444091927
532 RY*(10)O34 792 0.000005572 - 0.673631010
533 RY*(11)O34 793 0.000009066 - 1.022523978
534 RY*(12)O34 794 0.000000473 - 4.967989290
535 RY*(13)O34 795 0.000002258 - 1.994403980
536 RY*(14)O34 796 0.000000258 - 6.866446829
537 RY*(15)O34 797 0.000001369 - 1.855442747
538 RY*(16)O34 798 0.000000243 - 6.689338884
539 RY*(17)O34 799 0.000000091 - 1.813369978
540 RY*(18)O34 800 0.000000020 - 6.676848615
541 RY*(19)O34 801 0.000000335 - 2.846599650
542 RY*(20)O34 802 0.000000148 - 6.906929461
543 RY*(21)O34 803 0.000003042 - 2.090561724
544 RY*(22)O34 804 0.000000047 - 6.783014842
545 RY*(1)H35 805 0.001603218 - 1.739567523
546 RY*(2)H35 806 0.001170009 - 1.878587956
547 RY*(3)H35 807 0.000379526 - 1.254525388
548 RY*(4)H35 808 0.000283578 - 1.438938201
549 RY*(5)H35 809 0.000001563 - 2.804676628
550 RY*(1)H36 810 0.001524462 - 1.777301523
551 RY*(2)H36 811 0.001371335 - 1.656506363
552 RY*(3)H36 812 0.000773441 - 1.972892819
553 RY*(4)H36 813 0.000185666 - 1.434675885
554 RY*(5)H36 814 0.000014794 - 2.792795253
555 RY*(1)O37 815 0.002740080 - 0.564532706
556 RY*(2)O37 816 0.001313168 - 0.451521291
557 RY*(3)O37 817 0.000718172 - 0.655515306
558 RY*(4)O37 818 0.000594720 - 0.454143863
559 RY*(5)O37 819 0.000230943 - 1.455392404
560 RY*(6)O37 820 0.000135570 - 1.550233071
561 RY*(7)O37 821 0.000103943 - 1.744966893
562 RY*(8)O37 822 0.000103848 - 1.872184529
563 RY*(9)O37 823 0.000073129 - 1.500071593
564 RY*(10)O37 824 0.000032498 - 2.153917707
565 RY*(11)O37 825 0.000030278 - 2.229482424
566 RY*(12)O37 826 0.000023184 - 2.022483107
567 RY*(13)O37 827 0.000001983 - 5.095256979
568 RY*(14)O37 828 0.000000299 - 6.627849731
569 RY*(15)O37 829 0.000000070 - 49.498628071
570 RY*(16)O37 830 0.000000434 - 6.677939846
571 RY*(17)O37 831 0.000002517 - 5.550080553
572 RY*(18)O37 832 0.000000491 - 6.574916208
573 RY*(19)O37 833 0.000004111 - 3.037752402
574 RY*(20)O37 834 0.000001115 - 6.784855706
575 RY*(21)O37 835 0.000004265 - 5.368805140
576 RY*(22)O37 836 0.000000805 - 6.722778889
577 RY*(1)H38 837 0.001334389 - 1.854827430
578 RY*(2)H38 838 0.001132645 - 1.840035274
579 RY*(3)H38 839 0.000597101 - 1.928272800
580 RY*(4)H38 840 0.000137090 - 1.133721907
581 RY*(5)H38 841 0.000071513 - 3.088956090
582 RY*(1)H39 842 0.001987104 - 1.813681756
583 RY*(2)H39 843 0.000795001 - 1.838429218
584 RY*(3)H39 844 0.000635760 - 2.065965306
585 RY*(4)H39 845 0.000068747 - 1.301726660
586 RY*(5)H39 846 0.000042240 - 2.882720309
587 RY*(1)O40 847 0.000762795 - 0.501726440
588 RY*(2)O40 848 0.000548050 - 0.429903116
589 RY*(3)O40 849 0.000293905 - 0.951648703
590 RY*(4)O40 850 0.000131393 - 0.598700551
591 RY*(5)O40 851 0.000115727 - 1.379908482
592 RY*(6)O40 852 0.000079241 - 1.408616779
593 RY*(7)O40 853 0.000073174 - 1.659860733
594 RY*(8)O40 854 0.000055921 - 1.771429984
595 RY*(9)O40 855 0.000014730 - 1.942016707
596 RY*(10)O40 856 0.000000029 - 49.686030536
597 RY*(11)O40 857 0.000000985 - 5.202628145
598 RY*(12)O40 858 0.000000701 - 4.986557016
599 RY*(13)O40 859 0.000003983 - 5.373457022
600 RY*(14)O40 860 0.000001203 - 6.806102258
601 RY*(15)O40 861 0.000004410 - 1.796372172
602 RY*(16)O40 862 0.000000611 - 6.681587391
603 RY*(17)O40 863 0.000006883 - 1.867711042
604 RY*(18)O40 864 0.000000787 - 6.646066055
605 RY*(19)O40 865 0.000002199 - 2.799320414
606 RY*(20)O40 866 0.000000578 - 6.853828213
607 RY*(21)O40 867 0.000008874 - 1.875079065
608 RY*(22)O40 868 0.000001001 - 6.732586446
609 RY*(1)H41 869 0.001429208 - 1.616522736
610 RY*(2)H41 870 0.001363290 - 1.778145326
611 RY*(3)H41 871 0.000623369 - 1.954302462
612 RY*(4)H41 872 0.000348850 - 1.430837715
613 RY*(5)H41 873 0.000031597 - 2.869714631
614 RY*(1)H42 874 0.001536114 - 1.531080025
615 RY*(2)H42 875 0.001133105 - 1.822901860
616 RY*(3)H42 876 0.000720698 - 1.993682930
617 RY*(4)H42 877 0.000310419 - 1.609109234
618 RY*(5)H42 878 0.000015523 - 2.729670659
619 RY*(1)O43 879 0.001042079 - 0.442045889
620 RY*(2)O43 880 0.000298904 - 0.579592511
621 RY*(3)O43 881 0.000193072 - 0.723617883
622 RY*(4)O43 882 0.000087347 - 0.843123432
623 RY*(5)O43 883 0.000025170 - 1.267589144
624 RY*(6)O43 884 0.000027790 - 0.925702534
625 RY*(7)O43 885 0.000020280 - 1.335886582
626 RY*(8)O43 886 0.000001178 - 1.277247167
627 RY*(9)O43 887 0.000002299 - 5.066239996
628 RY*(10)O43 888 0.000002915 - 1.037458485
629 RY*(11)O43 889 0.000000961 - 4.702024399
630 RY*(12)O43 890 0.000000118 - 5.674468732
631 RY*(13)O43 891 0.000000728 - 1.729992112
632 RY*(14)O43 892 0.000000098 - 6.639006438
633 RY*(15)O43 893 0.000000216 - 1.991948043
634 RY*(16)O43 894 0.000000044 - 6.713045061
635 RY*(17)O43 895 0.000000389 - 2.513135921
636 RY*(18)O43 896 0.000000091 - 6.826059389
637 RY*(19)O43 897 0.000000004 - 49.589388673
638 RY*(20)O43 898 0.000000102 - 6.448042533
639 RY*(21)O43 899 0.000006425 - 2.000846317
640 RY*(22)O43 900 0.000000060 - 6.707484404
641 RY*(1)H44 901 0.001469268 - 1.683892927
642 RY*(2)H44 902 0.001097811 - 1.770912866
643 RY*(3)H44 903 0.000494846 - 1.895096711
644 RY*(4)H44 904 0.000150704 - 0.585423644
645 RY*(5)H44 905 0.000006034 - 2.725438824
646 RY*(1)H45 906 0.001512863 - 1.680950428
647 RY*(2)H45 907 0.001114164 - 1.750624950
648 RY*(3)H45 908 0.000482484 - 1.920541926
649 RY*(4)H45 909 0.000189402 - 0.627083955
650 RY*(5)H45 910 0.000005229 - 2.722989867
651 RY*(1)O46 911 0.001971899 - 0.386365055
652 RY*(2)O46 912 0.000676061 - 0.458497616
653 RY*(3)O46 913 0.000568496 - 0.533722763
654 RY*(4)O46 914 0.000217439 - 1.155709072
655 RY*(5)O46 915 0.000137687 - 1.335571466
656 RY*(6)O46 916 0.000103163 - 1.742736944
657 RY*(7)O46 917 0.000070854 - 1.274926537
658 RY*(8)O46 918 0.000070082 - 1.449108399
659 RY*(9)O46 919 0.000050284 - 1.688966549
660 RY*(10)O46 920 0.000038417 - 2.386595359
661 RY*(11)O46 921 0.000001720 - 4.941705215
662 RY*(12)O46 922 0.000001088 - 5.711980149
663 RY*(13)O46 923 0.000002103 - 1.878772797
664 RY*(14)O46 924 0.000000397 - 6.692858096
665 RY*(15)O46 925 0.000009323 - 1.589922098
666 RY*(16)O46 926 0.000000628 - 6.575612617
667 RY*(17)O46 927 0.000001232 - 2.778655294
668 RY*(18)O46 928 0.000000218 - 6.797658859
669 RY*(19)O46 929 0.000001102 - 4.922663136
670 RY*(20)O46 930 0.000000836 - 6.661398487
671 RY*(21)O46 931 0.000000020 - 49.680262255
672 RY*(22)O46 932 0.000000408 - 6.759659317
673 RY*(1)H47 933 0.001265339 - 1.748525401
674 RY*(2)H47 934 0.000992722 - 1.815761634
675 RY*(3)H47 935 0.000522045 - 1.449850371
676 RY*(4)H47 936 0.000272057 - 1.218436280
677 RY*(5)H47 937 0.000011770 - 2.784783817
678 RY*(1)H48 938 0.002524759 - 1.448402458
679 RY*(2)H48 939 0.000876495 - 1.843258096
680 RY*(3)H48 940 0.000651814 - 2.013837409
681 RY*(4)H48 941 0.000323429 - 1.594122809
682 RY*(5)H48 942 0.000014051 - 2.705707764
683 RY*(1)H49 943 0.001428503 - 1.673962317
684 RY*(2)H49 944 0.001054243 - 1.774956015
685 RY*(3)H49 945 0.000483644 - 1.955880301
686 RY*(4)H49 946 0.000210536 - 0.570578658
687 RY*(5)H49 947 0.000005817 - 2.723315443
688 RY*(1)O50 948 0.001119775 - 0.435430033
689 RY*(2)O50 949 0.000329188 - 0.569118549
690 RY*(3)O50 950 0.000216245 - 0.664182774
691 RY*(4)O50 951 0.000090132 - 0.898156471
692 RY*(5)O50 952 0.000029663 - 1.092569347
693 RY*(6)O50 953 0.000025458 - 1.455322649
694 RY*(7)O50 954 0.000031695 - 1.089262018
695 RY*(8)O50 955 0.000000005 - 49.582777839
696 RY*(9)O50 956 0.000000665 - 5.523899887
697 RY*(10)O50 957 0.000000554 - 4.575025349
698 RY*(11)O50 958 0.000004213 - 1.405762298
699 RY*(12)O50 959 0.000001574 - 5.168778883
700 RY*(13)O50 960 0.000000371 - 1.929331322
701 RY*(14)O50 961 0.000000103 - 6.671029330
702 RY*(15)O50 962 0.000000896 - 1.823845242
703 RY*(16)O50 963 0.000000082 - 6.653862349
704 RY*(17)O50 964 0.000003238 - 2.131624089
705 RY*(18)O50 965 0.000000078 - 6.751113686
706 RY*(19)O50 966 0.000006629 - 1.283154101
707 RY*(20)O50 967 0.000000174 - 6.413640992
708 RY*(21)O50 968 0.000001004 - 2.244722866
709 RY*(22)O50 969 0.000000111 - 6.674219489
710 RY*(1)H51 970 0.001448637 - 1.671364969
711 RY*(2)H51 971 0.001064814 - 1.762468598
712 RY*(3)H51 972 0.000491450 - 1.878243475
713 RY*(4)H51 973 0.000155096 - 0.595709341
714 RY*(5)H51 974 0.000006008 - 2.720390312
715 RY*(1)H52 975 0.001727933 - 1.897748381
716 RY*(2)H52 976 0.000917600 - 1.827865546
717 RY*(3)H52 977 0.000626442 - 2.012480034
718 RY*(4)H52 978 0.000071542 - 1.821553488
719 RY*(5)H52 979 0.000039495 - 2.394783635
720 RY*(1)O53 980 0.002340805 - 0.439009583
721 RY*(2)O53 981 0.001690832 - 0.645756705
722 RY*(3)O53 982 0.000855882 - 0.503488497
723 RY*(4)O53 983 0.000401866 - 0.563630329
724 RY*(5)O53 984 0.000176479 - 1.658467659
725 RY*(6)O53 985 0.000129440 - 1.487450916
726 RY*(7)O53 986 0.000133160 - 1.584068057
727 RY*(8)O53 987 0.000067945 - 1.874222651
728 RY*(9)O53 988 0.000039447 - 1.649421690
729 RY*(10)O53 989 0.000019055 - 2.395259938
730 RY*(11)O53 990 0.000024819 - 2.606316038
731 RY*(12)O53 991 0.000016772 - 1.904832983
732 RY*(13)O53 992 0.000004202 - 5.707140954
733 RY*(14)O53 993 0.000000130 - 6.517699711
734 RY*(15)O53 994 0.000009803 - 2.495354678
735 RY*(16)O53 995 0.000000178 - 6.529017934
736 RY*(17)O53 996 0.000000129 - 49.615309994
737 RY*(18)O53 997 0.000000441 - 6.736283817
738 RY*(19)O53 998 0.000002284 - 4.843877193
739 RY*(20)O53 999 0.000001144 - 6.770738038
740 RY*(21)O53 1000 0.000002761 - 5.221288405
741 RY*(22)O53 1001 0.000000611 - 6.789382789
742 RY*(1)H54 1002 0.001601236 - 1.915234525
743 RY*(2)H54 1003 0.000957478 - 1.821344625
744 RY*(3)H54 1004 0.000626415 - 2.002680993
745 RY*(4)H54 1005 0.000074464 - 1.835587432
746 RY*(5)H54 1006 0.000036775 - 2.352956309
747 RY*(1)O55 1007 0.000359208 - 0.724331145
748 RY*(2)O55 1008 0.000264800 - 0.686487016
749 RY*(3)O55 1009 0.000220176 - 0.503398418
750 RY*(4)O55 1010 0.000038648 - 0.754837433
751 RY*(5)O55 1011 0.000005766 - 0.969584604
752 RY*(6)O55 1012 0.000012692 - 1.281338088
753 RY*(7)O55 1013 0.000013059 - 1.151137221
754 RY*(8)O55 1014 0.000001730 - 5.660497964
755 RY*(9)O55 1015 0.000000688 - 5.106057027
756 RY*(10)O55 1016 0.000000009 - 49.656559468
757 RY*(11)O55 1017 0.000008467 - 1.612605993
758 RY*(12)O55 1018 0.000001550 - 5.366619466
759 RY*(13)O55 1019 0.000003132 - 1.938757168
760 RY*(14)O55 1020 0.000000299 - 6.534524931
761 RY*(15)O55 1021 0.000003825 - 2.054711522
762 RY*(16)O55 1022 0.000000311 - 6.740378733
763 RY*(17)O55 1023 0.000001641 - 2.153672495
764 RY*(18)O55 1024 0.000000075 - 6.805787418
765 RY*(19)O55 1025 0.000003449 - 2.197093088
766 RY*(20)O55 1026 0.000000102 - 6.765240657
767 RY*(21)O55 1027 0.000000440 - 2.243724044
768 RY*(22)O55 1028 0.000000061 - 6.759103977
769 RY*(1)H56 1029 0.001466533 - 1.841755113
770 RY*(2)H56 1030 0.001423397 - 1.623419734
771 RY*(3)H56 1031 0.000809941 - 2.020904866
772 RY*(4)H56 1032 0.000206922 - 1.480737148
773 RY*(5)H56 1033 0.000011217 - 2.817634130
774 RY*(1)H57 1034 0.001562789 - 1.767366317
775 RY*(2)H57 1035 0.001144548 - 1.863886528
776 RY*(3)H57 1036 0.000412885 - 0.847518250
777 RY*(4)H57 1037 0.000331788 - 1.982715392
778 RY*(5)H57 1038 0.000001473 - 2.822648806
779 RY*(1)O58 1039 0.000393648 - 0.589498629
780 RY*(2)O58 1040 0.000258106 - 0.871697925
781 RY*(3)O58 1041 0.000097784 - 0.845641209
782 RY*(4)O58 1042 0.000063060 - 0.767932063
783 RY*(5)O58 1043 0.000030117 - 0.941311370
784 RY*(6)O58 1044 0.000002019 - 5.685036173
785 RY*(7)O58 1045 0.000000008 - 49.696629716
786 RY*(8)O58 1046 0.000004007 - 1.212501175
787 RY*(9)O58 1047 0.000001989 - 5.444091926
788 RY*(10)O58 1048 0.000005572 - 0.673631012
789 RY*(11)O58 1049 0.000009066 - 1.022523978
790 RY*(12)O58 1050 0.000000473 - 4.967989290
791 RY*(13)O58 1051 0.000002258 - 1.994403980
792 RY*(14)O58 1052 0.000000258 - 6.866446829
793 RY*(15)O58 1053 0.000001369 - 1.855442747
794 RY*(16)O58 1054 0.000000243 - 6.689338884
795 RY*(17)O58 1055 0.000000091 - 1.813369978
796 RY*(18)O58 1056 0.000000020 - 6.676848615
797 RY*(19)O58 1057 0.000000335 - 2.846599650
798 RY*(20)O58 1058 0.000000148 - 6.906929461
799 RY*(21)O58 1059 0.000003042 - 2.090561723
800 RY*(22)O58 1060 0.000000047 - 6.783014842
801 RY*(1)H59 1061 0.001524462 - 1.777301523
802 RY*(2)H59 1062 0.001371335 - 1.656506363
803 RY*(3)H59 1063 0.000773441 - 1.972892819
804 RY*(4)H59 1064 0.000185666 - 1.434675886
805 RY*(5)H59 1065 0.000014794 - 2.792795253
806 RY*(1)H60 1066 0.001603218 - 1.739567523
807 RY*(2)H60 1067 0.001170009 - 1.878587956
808 RY*(3)H60 1068 0.000379526 - 1.254525388
809 RY*(4)H60 1069 0.000283578 - 1.438938201
810 RY*(5)H60 1070 0.000001563 - 2.804676628
811 RY*(1)O61 1071 0.002740080 - 0.564532706
812 RY*(2)O61 1072 0.001313168 - 0.451521291
813 RY*(3)O61 1073 0.000718172 - 0.655515306
814 RY*(4)O61 1074 0.000594720 - 0.454143863
815 RY*(5)O61 1075 0.000230943 - 1.455392404
816 RY*(6)O61 1076 0.000135570 - 1.550233074
817 RY*(7)O61 1077 0.000103943 - 1.744966888
818 RY*(8)O61 1078 0.000103848 - 1.872184529
819 RY*(9)O61 1079 0.000073129 - 1.500071594
820 RY*(10)O61 1080 0.000032498 - 2.153917707
821 RY*(11)O61 1081 0.000030278 - 2.229482423
822 RY*(12)O61 1082 0.000023184 - 2.022483107
823 RY*(13)O61 1083 0.000001983 - 5.095256979
824 RY*(14)O61 1084 0.000000299 - 6.627849731
825 RY*(15)O61 1085 0.000000070 - 49.498628073
826 RY*(16)O61 1086 0.000000434 - 6.677939846
827 RY*(17)O61 1087 0.000002517 - 5.550080553
828 RY*(18)O61 1088 0.000000491 - 6.574916208
829 RY*(19)O61 1089 0.000004111 - 3.037752402
830 RY*(20)O61 1090 0.000001115 - 6.784855706
831 RY*(21)O61 1091 0.000004265 - 5.368805139
832 RY*(22)O61 1092 0.000000805 - 6.722778889
833 RY*(1)H62 1093 0.001334389 - 1.854827430
834 RY*(2)H62 1094 0.001132645 - 1.840035274
835 RY*(3)H62 1095 0.000597101 - 1.928272800
836 RY*(4)H62 1096 0.000137090 - 1.133721906
837 RY*(5)H62 1097 0.000071513 - 3.088956091
838 RY*(1)H63 1098 0.001987104 - 1.813681756
839 RY*(2)H63 1099 0.000795001 - 1.838429218
840 RY*(3)H63 1100 0.000635760 - 2.065965306
841 RY*(4)H63 1101 0.000068747 - 1.301726660
842 RY*(5)H63 1102 0.000042240 - 2.882720310
843 RY*(1)O64 1103 0.000762795 - 0.501726440
844 RY*(2)O64 1104 0.000548050 - 0.429903116
845 RY*(3)O64 1105 0.000293905 - 0.951648703
846 RY*(4)O64 1106 0.000131393 - 0.598700551
847 RY*(5)O64 1107 0.000115727 - 1.379908480
848 RY*(6)O64 1108 0.000079241 - 1.408616780
849 RY*(7)O64 1109 0.000073174 - 1.659860733
850 RY*(8)O64 1110 0.000055921 - 1.771429984
851 RY*(9)O64 1111 0.000014730 - 1.942016706
852 RY*(10)O64 1112 0.000000029 - 49.686030534
853 RY*(11)O64 1113 0.000000985 - 5.202628147
854 RY*(12)O64 1114 0.000000701 - 4.986557016
855 RY*(13)O64 1115 0.000003983 - 5.373457021
856 RY*(14)O64 1116 0.000001203 - 6.806102258
857 RY*(15)O64 1117 0.000004410 - 1.796372172
858 RY*(16)O64 1118 0.000000611 - 6.681587391
859 RY*(17)O64 1119 0.000006883 - 1.867711042
860 RY*(18)O64 1120 0.000000787 - 6.646066055
861 RY*(19)O64 1121 0.000002199 - 2.799320414
862 RY*(20)O64 1122 0.000000578 - 6.853828213
863 RY*(21)O64 1123 0.000008874 - 1.875079066
864 RY*(22)O64 1124 0.000001001 - 6.732586446
865 RY*(1)H65 1125 0.001429208 - 1.616522736
866 RY*(2)H65 1126 0.001363290 - 1.778145326
867 RY*(3)H65 1127 0.000623369 - 1.954302462
868 RY*(4)H65 1128 0.000348850 - 1.430837715
869 RY*(5)H65 1129 0.000031597 - 2.869714631
870 RY*(1)H66 1130 0.001536114 - 1.531080026
871 RY*(2)H66 1131 0.001133105 - 1.822901860
872 RY*(3)H66 1132 0.000720698 - 1.993682930
873 RY*(4)H66 1133 0.000310419 - 1.609109234
874 RY*(5)H66 1134 0.000015523 - 2.729670659
875 RY*(1)O67 1135 0.001042079 - 0.442045889
876 RY*(2)O67 1136 0.000298904 - 0.579592511
877 RY*(3)O67 1137 0.000193072 - 0.723617883
878 RY*(4)O67 1138 0.000087347 - 0.843123432
879 RY*(5)O67 1139 0.000025170 - 1.267589144
880 RY*(6)O67 1140 0.000027790 - 0.925702534
881 RY*(7)O67 1141 0.000020280 - 1.335886580
882 RY*(8)O67 1142 0.000001178 - 1.277247166
883 RY*(9)O67 1143 0.000002299 - 5.066239996
884 RY*(10)O67 1144 0.000002915 - 1.037458485
885 RY*(11)O67 1145 0.000000961 - 4.702024400
886 RY*(12)O67 1146 0.000000118 - 5.674468732
887 RY*(13)O67 1147 0.000000728 - 1.729992112
888 RY*(14)O67 1148 0.000000098 - 6.639006438
889 RY*(15)O67 1149 0.000000216 - 1.991948043
890 RY*(16)O67 1150 0.000000044 - 6.713045061
891 RY*(17)O67 1151 0.000000389 - 2.513135922
892 RY*(18)O67 1152 0.000000091 - 6.826059389
893 RY*(19)O67 1153 0.000000004 - 49.589388674
894 RY*(20)O67 1154 0.000000102 - 6.448042533
895 RY*(21)O67 1155 0.000006425 - 2.000846317
896 RY*(22)O67 1156 0.000000060 - 6.707484404
897 RY*(1)H68 1157 0.001469268 - 1.683892927
898 RY*(2)H68 1158 0.001097811 - 1.770912866
899 RY*(3)H68 1159 0.000494846 - 1.895096711
900 RY*(4)H68 1160 0.000150704 - 0.585423645
901 RY*(5)H68 1161 0.000006034 - 2.725438824
902 RY*(1)H69 1162 0.001512863 - 1.680950428
903 RY*(2)H69 1163 0.001114164 - 1.750624950
904 RY*(3)H69 1164 0.000482484 - 1.920541926
905 RY*(4)H69 1165 0.000189402 - 0.627083955
906 RY*(5)H69 1166 0.000005229 - 2.722989867
907 RY*(1)O70 1167 0.001971899 - 0.386365055
908 RY*(2)O70 1168 0.000676061 - 0.458497616
909 RY*(3)O70 1169 0.000568496 - 0.533722763
910 RY*(4)O70 1170 0.000217439 - 1.155709077
911 RY*(5)O70 1171 0.000137687 - 1.335571464
912 RY*(6)O70 1172 0.000103163 - 1.742736944
913 RY*(7)O70 1173 0.000070854 - 1.274926536
914 RY*(8)O70 1174 0.000070082 - 1.449108399
915 RY*(9)O70 1175 0.000050284 - 1.688966549
916 RY*(10)O70 1176 0.000038417 - 2.386595359
917 RY*(11)O70 1177 0.000001720 - 4.941705215
918 RY*(12)O70 1178 0.000001088 - 5.711980149
919 RY*(13)O70 1179 0.000002103 - 1.878772797
920 RY*(14)O70 1180 0.000000397 - 6.692858096
921 RY*(15)O70 1181 0.000009323 - 1.589922098
922 RY*(16)O70 1182 0.000000628 - 6.575612617
923 RY*(17)O70 1183 0.000001232 - 2.778655294
924 RY*(18)O70 1184 0.000000218 - 6.797658859
925 RY*(19)O70 1185 0.000001102 - 4.922663135
926 RY*(20)O70 1186 0.000000836 - 6.661398487
927 RY*(21)O70 1187 0.000000020 - 49.680262256
928 RY*(22)O70 1188 0.000000408 - 6.759659317
929 RY*(1)H71 1189 0.002524759 - 1.448402458
930 RY*(2)H71 1190 0.000876495 - 1.843258096
931 RY*(3)H71 1191 0.000651814 - 2.013837409
932 RY*(4)H71 1192 0.000323429 - 1.594122810
933 RY*(5)H71 1193 0.000014051 - 2.705707763
934 RY*(1)H72 1194 0.001265339 - 1.748525401
935 RY*(2)H72 1195 0.000992722 - 1.815761634
936 RY*(3)H72 1196 0.000522045 - 1.449850371
937 RY*(4)H72 1197 0.000272057 - 1.218436280
938 RY*(5)H72 1198 0.000011770 - 2.784783817
939 RY*(1)H73 1199 0.001428503 - 1.673962317
940 RY*(2)H73 1200 0.001054243 - 1.774956015
941 RY*(3)H73 1201 0.000483644 - 1.955880301
942 RY*(4)H73 1202 0.000210536 - 0.570578658
943 RY*(5)H73 1203 0.000005817 - 2.723315443
944 RY*(1)O74 1204 0.001119775 - 0.435430033
945 RY*(2)O74 1205 0.000329188 - 0.569118549
946 RY*(3)O74 1206 0.000216245 - 0.664182774
947 RY*(4)O74 1207 0.000090132 - 0.898156471
948 RY*(5)O74 1208 0.000029663 - 1.092569347
949 RY*(6)O74 1209 0.000025458 - 1.455322649
950 RY*(7)O74 1210 0.000031695 - 1.089262018
951 RY*(8)O74 1211 0.000000005 - 49.582777839
952 RY*(9)O74 1212 0.000000665 - 5.523899887
953 RY*(10)O74 1213 0.000000554 - 4.575025348
954 RY*(11)O74 1214 0.000004213 - 1.405762298
955 RY*(12)O74 1215 0.000001574 - 5.168778883
956 RY*(13)O74 1216 0.000000371 - 1.929331322
957 RY*(14)O74 1217 0.000000103 - 6.671029330
958 RY*(15)O74 1218 0.000000896 - 1.823845242
959 RY*(16)O74 1219 0.000000082 - 6.653862349
960 RY*(17)O74 1220 0.000003238 - 2.131624089
961 RY*(18)O74 1221 0.000000078 - 6.751113686
962 RY*(19)O74 1222 0.000006629 - 1.283154100
963 RY*(20)O74 1223 0.000000174 - 6.413640992
964 RY*(21)O74 1224 0.000001004 - 2.244722866
965 RY*(22)O74 1225 0.000000111 - 6.674219490
966 RY*(1)H75 1226 0.001448637 - 1.671364969
967 RY*(2)H75 1227 0.001064814 - 1.762468598
968 RY*(3)H75 1228 0.000491450 - 1.878243475
969 RY*(4)H75 1229 0.000155096 - 0.595709341
970 RY*(5)H75 1230 0.000006008 - 2.720390312
971 RY*(1)H76 1231 0.001727933 - 1.897748381
972 RY*(2)H76 1232 0.000917600 - 1.827865546
973 RY*(3)H76 1233 0.000626442 - 2.012480034
974 RY*(4)H76 1234 0.000071542 - 1.821553531
975 RY*(5)H76 1235 0.000039495 - 2.394783591
976 RY*(1)O77 1236 0.002340805 - 0.439009583
977 RY*(2)O77 1237 0.001690832 - 0.645756705
978 RY*(3)O77 1238 0.000855882 - 0.503488497
979 RY*(4)O77 1239 0.000401866 - 0.563630329
980 RY*(5)O77 1240 0.000176479 - 1.658467659
981 RY*(6)O77 1241 0.000129440 - 1.487450916
982 RY*(7)O77 1242 0.000133160 - 1.584068057
983 RY*(8)O77 1243 0.000067945 - 1.874222651
984 RY*(9)O77 1244 0.000039447 - 1.649421693
985 RY*(10)O77 1245 0.000019055 - 2.395259935
986 RY*(11)O77 1246 0.000024819 - 2.606316039
987 RY*(12)O77 1247 0.000016772 - 1.904832982
988 RY*(13)O77 1248 0.000004202 - 5.707140955
989 RY*(14)O77 1249 0.000000130 - 6.517699711
990 RY*(15)O77 1250 0.000009803 - 2.495354680
991 RY*(16)O77 1251 0.000000178 - 6.529017934
992 RY*(17)O77 1252 0.000000129 - 49.615309994
993 RY*(18)O77 1253 0.000000441 - 6.736283817
994 RY*(19)O77 1254 0.000002284 - 4.843877191
995 RY*(20)O77 1255 0.000001144 - 6.770738038
996 RY*(21)O77 1256 0.000002761 - 5.221288405
997 RY*(22)O77 1257 0.000000611 - 6.789382789
998 RY*(1)H78 1258 0.001601236 - 1.915234525
999 RY*(2)H78 1259 0.000957478 - 1.821344625
1000 RY*(3)H78 1260 0.000626415 - 2.002680993
1001 RY*(4)H78 1261 0.000074464 - 1.835587429
1002 RY*(5)H78 1262 0.000036775 - 2.352956312
1003 RY*(1)O79 1263 0.000351705 - 0.595443424
1004 RY*(2)O79 1264 0.000299834 - 0.782889439
1005 RY*(3)O79 1265 0.000200623 - 0.610693156
1006 RY*(4)O79 1266 0.000060577 - 1.300677231
1007 RY*(5)O79 1267 0.000042370 - 0.560332706
1008 RY*(6)O79 1268 0.000001770 - 5.707753085
1009 RY*(7)O79 1269 0.000009813 - 1.088897498
1010 RY*(8)O79 1270 0.000011008 - 1.536672954
1011 RY*(9)O79 1271 0.000000954 - 5.115951612
1012 RY*(10)O79 1272 0.000000007 - 49.787811507
1013 RY*(11)O79 1273 0.000003234 - 1.043423030
1014 RY*(12)O79 1274 0.000001965 - 5.368415161
1015 RY*(13)O79 1275 0.000003744 - 1.936371378
1016 RY*(14)O79 1276 0.000000698 - 6.725745796
1017 RY*(15)O79 1277 0.000004240 - 2.045090464
1018 RY*(16)O79 1278 0.000000389 - 6.793440573
1019 RY*(17)O79 1279 0.000001944 - 2.164621264
1020 RY*(18)O79 1280 0.000000108 - 6.815155949
1021 RY*(19)O79 1281 0.000002600 - 2.398087323
1022 RY*(20)O79 1282 0.000000089 - 6.830836784
1023 RY*(21)O79 1283 0.000000688 - 2.208010932
1024 RY*(22)O79 1284 0.000000096 - 6.797208896
1025 RY*(1)H80 1285 0.001514473 - 1.835509109
1026 RY*(2)H80 1286 0.001423488 - 1.758523122
1027 RY*(3)H80 1287 0.000833460 - 1.972314857
1028 RY*(4)H80 1288 0.000225847 - 1.460202128
1029 RY*(5)H80 1289 0.000013760 - 2.848537908
1030 RY*(1)H81 1290 0.001681441 - 1.756470198
1031 RY*(2)H81 1291 0.001257924 - 1.889177592
1032 RY*(3)H81 1292 0.000410883 - 1.339059397
1033 RY*(4)H81 1293 0.000252497 - 1.474680665
1034 RY*(5)H81 1294 0.000002076 - 2.827562487
1035 RY*(1)O82 1295 0.000351705 - 0.595443426
1036 RY*(2)O82 1296 0.000299834 - 0.782889437
1037 RY*(3)O82 1297 0.000200623 - 0.610693157
1038 RY*(4)O82 1298 0.000060577 - 1.300677231
1039 RY*(5)O82 1299 0.000042370 - 0.560332706
1040 RY*(6)O82 1300 0.000001770 - 5.707753085
1041 RY*(7)O82 1301 0.000009813 - 1.088897498
1042 RY*(8)O82 1302 0.000011008 - 1.536672957
1043 RY*(9)O82 1303 0.000000954 - 5.115951612
1044 RY*(10)O82 1304 0.000000007 - 49.787811507
1045 RY*(11)O82 1305 0.000003234 - 1.043423030
1046 RY*(12)O82 1306 0.000001965 - 5.368415161
1047 RY*(13)O82 1307 0.000003744 - 1.936371377
1048 RY*(14)O82 1308 0.000000698 - 6.725745796
1049 RY*(15)O82 1309 0.000004240 - 2.045090464
1050 RY*(16)O82 1310 0.000000389 - 6.793440571
1051 RY*(17)O82 1311 0.000001944 - 2.164621264
1052 RY*(18)O82 1312 0.000000108 - 6.815155949
1053 RY*(19)O82 1313 0.000002600 - 2.398087323
1054 RY*(20)O82 1314 0.000000089 - 6.830836784
1055 RY*(21)O82 1315 0.000000688 - 2.208010931
1056 RY*(22)O82 1316 0.000000096 - 6.797208896
1057 RY*(1)H83 1317 0.001514473 - 1.835509109
1058 RY*(2)H83 1318 0.001423488 - 1.758523122
1059 RY*(3)H83 1319 0.000833460 - 1.972314857
1060 RY*(4)H83 1320 0.000225847 - 1.460202128
1061 RY*(5)H83 1321 0.000013760 - 2.848537908
1062 RY*(1)H84 1322 0.001681441 - 1.756470198
1063 RY*(2)H84 1323 0.001257924 - 1.889177592
1064 RY*(3)H84 1324 0.000410883 - 1.339059396
1065 RY*(4)H84 1325 0.000252497 - 1.474680666
1066 RY*(5)H84 1326 0.000002076 - 2.827562487
1067 RY*(1)O85 1327 0.000343304 - 0.542847034
1068 RY*(2)O85 1328 0.000228053 - 1.116745780
1069 RY*(3)O85 1329 0.000125373 - 0.309660366
1070 RY*(4)O85 1330 0.000073511 - 0.986438246
1071 RY*(5)O85 1331 0.000020141 - 1.020926188
1072 RY*(6)O85 1332 0.000001940 - 5.574282015
1073 RY*(7)O85 1333 0.000001095 - 1.146395824
1074 RY*(8)O85 1334 0.000003679 - 0.972174159
1075 RY*(9)O85 1335 0.000001845 - 5.318354267
1076 RY*(10)O85 1336 0.000009501 - 1.059852389
1077 RY*(11)O85 1337 0.000000010 - 49.684481046
1078 RY*(12)O85 1338 0.000000519 - 4.940757235
1079 RY*(13)O85 1339 0.000003026 - 1.997918667
1080 RY*(14)O85 1340 0.000000338 - 6.868202755
1081 RY*(15)O85 1341 0.000000599 - 1.851467050
1082 RY*(16)O85 1342 0.000000080 - 6.688800027
1083 RY*(17)O85 1343 0.000000138 - 1.805866181
1084 RY*(18)O85 1344 0.000000032 - 6.673502055
1085 RY*(19)O85 1345 0.000000377 - 2.824586531
1086 RY*(20)O85 1346 0.000000133 - 6.908909301
1087 RY*(21)O85 1347 0.000002981 - 1.897945390
1088 RY*(22)O85 1348 0.000000050 - 6.771975028
1089 RY*(1)H86 1349 0.001629695 - 1.822141506
1090 RY*(2)H86 1350 0.001290385 - 1.754170515
1091 RY*(3)H86 1351 0.000645286 - 1.986889482
1092 RY*(4)H86 1352 0.000125705 - 1.238413031
1093 RY*(5)H86 1353 0.000020481 - 2.740733874
1094 RY*(1)H87 1354 0.001519826 - 1.752527718
1095 RY*(2)H87 1355 0.001161902 - 1.861242066
1096 RY*(3)H87 1356 0.000408129 - 0.666927283
1097 RY*(4)H87 1357 0.000339109 - 2.102983686
1098 RY*(5)H87 1358 0.000000958 - 2.802056438
1099 RY*(1)O88 1359 0.000744758 - 0.457527903
1100 RY*(2)O88 1360 0.000482924 - 0.505315147
1101 RY*(3)O88 1361 0.000239049 - 0.761450281
1102 RY*(4)O88 1362 0.000151973 - 0.653537574
1103 RY*(5)O88 1363 0.000111774 - 1.368560966
1104 RY*(6)O88 1364 0.000094957 - 1.752169841
1105 RY*(7)O88 1365 0.000080150 - 1.620604326
1106 RY*(8)O88 1366 0.000048927 - 1.746033383
1107 RY*(9)O88 1367 0.000019349 - 1.889625674
1108 RY*(10)O88 1368 0.000000024 - 49.699700314
1109 RY*(11)O88 1369 0.000001530 - 5.349118114
1110 RY*(12)O88 1370 0.000003133 - 5.248142789
1111 RY*(13)O88 1371 0.000003811 - 1.845615485
1112 RY*(14)O88 1372 0.000000451 - 6.700372234
1113 RY*(15)O88 1373 0.000009564 - 1.729203131
1114 RY*(16)O88 1374 0.000000724 - 6.725521592
1115 RY*(17)O88 1375 0.000001943 - 5.053127634
1116 RY*(18)O88 1376 0.000000551 - 6.719244476
1117 RY*(19)O88 1377 0.000002591 - 2.239263009
1118 RY*(20)O88 1378 0.000000606 - 6.761496459
1119 RY*(21)O88 1379 0.000009351 - 2.264662714
1120 RY*(22)O88 1380 0.000001016 - 6.736591502
1121 RY*(1)H89 1381 0.001474422 - 1.570070909
1122 RY*(2)H89 1382 0.001364924 - 1.768562725
1123 RY*(3)H89 1383 0.000624812 - 1.996014695
1124 RY*(4)H89 1384 0.000319897 - 1.455527741
1125 RY*(5)H89 1385 0.000029569 - 2.855828637
1126 RY*(1)H90 1386 0.001996302 - 1.466560445
1127 RY*(2)H90 1387 0.001068007 - 1.826570382
1128 RY*(3)H90 1388 0.000733879 - 2.042815527
1129 RY*(4)H90 1389 0.000266225 - 1.684616710
1130 RY*(5)H90 1390 0.000011318 - 2.741453891
1131 RY*(1)O91 1391 0.000744758 - 0.457527903
1132 RY*(2)O91 1392 0.000482924 - 0.505315146
1133 RY*(3)O91 1393 0.000239049 - 0.761450282
1134 RY*(4)O91 1394 0.000151973 - 0.653537575
1135 RY*(5)O91 1395 0.000111774 - 1.368560965
1136 RY*(6)O91 1396 0.000094957 - 1.752169843
1137 RY*(7)O91 1397 0.000080150 - 1.620604325
1138 RY*(8)O91 1398 0.000048927 - 1.746033383
1139 RY*(9)O91 1399 0.000019349 - 1.889625676
1140 RY*(10)O91 1400 0.000000024 - 49.699700314
1141 RY*(11)O91 1401 0.000001530 - 5.349118113
1142 RY*(12)O91 1402 0.000003133 - 5.248142789
1143 RY*(13)O91 1403 0.000003811 - 1.845615484
1144 RY*(14)O91 1404 0.000000451 - 6.700372234
1145 RY*(15)O91 1405 0.000009564 - 1.729203131
1146 RY*(16)O91 1406 0.000000724 - 6.725521592
1147 RY*(17)O91 1407 0.000001943 - 5.053127634
1148 RY*(18)O91 1408 0.000000551 - 6.719244476
1149 RY*(19)O91 1409 0.000002591 - 2.239263009
1150 RY*(20)O91 1410 0.000000606 - 6.761496459
1151 RY*(21)O91 1411 0.000009351 - 2.264662715
1152 RY*(22)O91 1412 0.000001016 - 6.736591502
1153 RY*(1)H92 1413 0.001474422 - 1.570070909
1154 RY*(2)H92 1414 0.001364924 - 1.768562725
1155 RY*(3)H92 1415 0.000624812 - 1.996014695
1156 RY*(4)H92 1416 0.000319897 - 1.455527741
1157 RY*(5)H92 1417 0.000029569 - 2.855828637
1158 RY*(1)H93 1418 0.001996302 - 1.466560445
1159 RY*(2)H93 1419 0.001068007 - 1.826570382
1160 RY*(3)H93 1420 0.000733879 - 2.042815527
1161 RY*(4)H93 1421 0.000266225 - 1.684616710
1162 RY*(5)H93 1422 0.000011318 - 2.741453891
1163 RY*(1)O94 1423 0.002376608 - 0.525931819
1164 RY*(2)O94 1424 0.001064492 - 0.443483302
1165 RY*(3)O94 1425 0.000771813 - 0.656874681
1166 RY*(4)O94 1426 0.000523986 - 0.444443692
1167 RY*(5)O94 1427 0.000202868 - 1.400820443
1168 RY*(6)O94 1428 0.000163155 - 1.438016798
1169 RY*(7)O94 1429 0.000114810 - 1.487659658
1170 RY*(8)O94 1430 0.000101854 - 1.810793773
1171 RY*(9)O94 1431 0.000069476 - 1.463049884
1172 RY*(10)O94 1432 0.000037857 - 2.230188367
1173 RY*(11)O94 1433 0.000020673 - 1.972721927
1174 RY*(12)O94 1434 0.000025446 - 2.418634834
1175 RY*(13)O94 1435 0.000004111 - 5.439354455
1176 RY*(14)O94 1436 0.000000472 - 6.624487312
1177 RY*(15)O94 1437 0.000000055 - 49.551371512
1178 RY*(16)O94 1438 0.000000167 - 6.577483012
1179 RY*(17)O94 1439 0.000003065 - 5.522643581
1180 RY*(18)O94 1440 0.000000452 - 6.649857927
1181 RY*(19)O94 1441 0.000005035 - 2.959355917
1182 RY*(20)O94 1442 0.000001524 - 6.869257211
1183 RY*(21)O94 1443 0.000000648 - 4.979106477
1184 RY*(22)O94 1444 0.000000543 - 6.626073427
1185 RY*(1)H95 1445 0.001361858 - 1.827475061
1186 RY*(2)H95 1446 0.001089710 - 1.829863065
1187 RY*(3)H95 1447 0.000605694 - 1.924567510
1188 RY*(4)H95 1448 0.000126141 - 1.161772914
1189 RY*(5)H95 1449 0.000074154 - 3.001558386
1190 RY*(1)H96 1450 0.001332338 - 1.855151526
1191 RY*(2)H96 1451 0.000908956 - 1.813882985
1192 RY*(3)H96 1452 0.000608549 - 2.003395266
1193 RY*(4)H96 1453 0.000097530 - 1.206102092
1194 RY*(5)H96 1454 0.000056030 - 2.852379973
1195 RY*(1)O97 1455 0.000813417 - 0.449977967
1196 RY*(2)O97 1456 0.000480054 - 0.506029241
1197 RY*(3)O97 1457 0.000310753 - 0.890170106
1198 RY*(4)O97 1458 0.000080473 - 0.827663004
1199 RY*(5)O97 1459 0.000079025 - 0.943361534
1200 RY*(6)O97 1460 0.000014447 - 1.424215705
1201 RY*(7)O97 1461 0.000020044 - 1.645313369
1202 RY*(8)O97 1462 0.000008985 - 1.035306491
1203 RY*(9)O97 1463 0.000013253 - 1.607335620
1204 RY*(10)O97 1464 0.000000542 - 4.471469213
1205 RY*(11)O97 1465 0.000000006 - 49.628460383
1206 RY*(12)O97 1466 0.000000250 - 5.661847518
1207 RY*(13)O97 1467 0.000004452 - 1.697969534
1208 RY*(14)O97 1468 0.000000661 - 6.638226657
1209 RY*(15)O97 1469 0.000001248 - 1.974660739
1210 RY*(16)O97 1470 0.000000229 - 6.701901985
1211 RY*(17)O97 1471 0.000000585 - 2.468234635
1212 RY*(18)O97 1472 0.000000095 - 6.797188051
1213 RY*(19)O97 1473 0.000002031 - 4.484511738
1214 RY*(20)O97 1474 0.000000064 - 6.523628657
1215 RY*(21)O97 1475 0.000007837 - 1.910187412
1216 RY*(22)O97 1476 0.000000142 - 6.695025233
1217 RY*(1)H98 1477 0.001592997 - 1.655872268
1218 RY*(2)H98 1478 0.001202488 - 1.680182459
1219 RY*(3)H98 1479 0.000528988 - 1.497944311
1220 RY*(4)H98 1480 0.000360185 - 1.194807277
1221 RY*(5)H98 1481 0.000006134 - 2.716332190
1222 RY*(1)H99 1482 0.001592997 - 1.655872268
1223 RY*(2)H99 1483 0.001202488 - 1.680182459
1224 RY*(3)H99 1484 0.000528988 - 1.497944311
1225 RY*(4)H99 1485 0.000360185 - 1.194807277
1226 RY*(5)H99 1486 0.000006134 - 2.716332190
1227 RY*(1)O100 1487 0.001896619 - 0.382644503
1228 RY*(2)O100 1488 0.000477601 - 0.576121019
1229 RY*(3)O100 1489 0.000417228 - 0.568318253
1230 RY*(4)O100 1490 0.000196063 - 0.847425586
1231 RY*(5)O100 1491 0.000081453 - 1.471093191
1232 RY*(6)O100 1492 0.000072479 - 1.420121588
1233 RY*(7)O100 1493 0.000039364 - 1.570739958
1234 RY*(8)O100 1494 0.000015163 - 1.425215949
1235 RY*(9)O100 1495 0.000001677 - 5.024037623
1236 RY*(10)O100 1496 0.000001569 - 4.932366673
1237 RY*(11)O100 1497 0.000000010 - 49.529867444
1238 RY*(12)O100 1498 0.000000311 - 5.695804717
1239 RY*(13)O100 1499 0.000002542 - 1.710070508
1240 RY*(14)O100 1500 0.000000510 - 6.499707947
1241 RY*(15)O100 1501 0.000008335 - 1.541759941
1242 RY*(16)O100 1502 0.000000629 - 6.585429977
1243 RY*(17)O100 1503 0.000002177 - 2.603114406
1244 RY*(18)O100 1504 0.000000246 - 6.820485044
1245 RY*(19)O100 1505 0.000005214 - 1.608853073
1246 RY*(20)O100 1506 0.000000227 - 6.539318796
1247 RY*(21)O100 1507 0.000007306 - 1.887499293
1248 RY*(22)O100 1508 0.000000646 - 6.743840716
1249 RY*(1)H101 1509 0.001210640 - 1.710027720
1250 RY*(2)H101 1510 0.001016744 - 1.764507254
1251 RY*(3)H101 1511 0.000512388 - 1.852438471
1252 RY*(4)H101 1512 0.000211156 - 0.690516334
1253 RY*(5)H101 1513 0.000010142 - 2.756035200
1254 RY*(1)H102 1514 0.001210640 - 1.710027720
1255 RY*(2)H102 1515 0.001016744 - 1.764507254
1256 RY*(3)H102 1516 0.000512388 - 1.852438471
1257 RY*(4)H102 1517 0.000211156 - 0.690516334
1258 RY*(5)H102 1518 0.000010142 - 2.756035200
1259 BD*(1)O1-H2 0.009426970 - 0.896472417
1260 BD*(1)O1-H3 0.000396212 - 0.740383316
1261 BD*(1)O4-H5 0.000318180 - 0.791352209
1262 BD*(1)O4-H6 0.000321373 - 0.665473348
1263 BD*(1)O7-H8 0.000318180 - 0.791352209
1264 BD*(1)O7-H9 0.000321373 - 0.665473348
1265 BD*(1)O10-H11 0.008671753 - 0.850836707
1266 BD*(1)O10-H12 0.016270206 - 0.730861073
1267 BD*(1)O13-H14 0.000219183 - 0.618355542
1268 BD*(1)O13-H15 0.000219183 - 0.618355542
1269 BD*(1)O16-H17 0.016590069 - 0.707987924
1270 BD*(1)O16-H18 0.016590069 - 0.707987924
1271 BD*(1)H19-O20 0.000208160 - 0.603194817
1272 BD*(1)O20-H21 0.000207972 - 0.603559570
1273 BD*(1)H22-O23 0.000208160 - 0.603194817
1274 BD*(1)O23-H24 0.000207972 - 0.603559570
1275 BD*(1)H25-O26 0.015293289 - 0.700507594
1276 BD*(1)O26-H27 0.018449643 - 0.710056279
1277 BD*(1)H28-O29 0.015293289 - 0.700507594
1278 BD*(1)O29-H30 0.018449643 - 0.710056279
1279 BD*(1)O31-H32 0.009443891 - 0.892553734
1280 BD*(1)O31-H33 0.000410225 - 0.750560736
1281 BD*(1)O34-H35 0.000394738 - 0.734872479
1282 BD*(1)O34-H36 0.009095777 - 0.879716744
1283 BD*(1)O37-H38 0.010000666 - 0.821922780
1284 BD*(1)O37-H39 0.019266539 - 0.704297539
1285 BD*(1)O40-H41 0.009696518 - 0.842098338
1286 BD*(1)O40-H42 0.015622494 - 0.714545579
1287 BD*(1)O43-H44 0.000206099 - 0.630095389
1288 BD*(1)O43-H45 0.000189760 - 0.627838373
1289 BD*(1)O46-H47 0.000522671 - 0.659564707
1290 BD*(1)O46-H48 0.018579855 - 0.690098302
1291 BD*(1)H49-O50 0.000199264 - 0.625121969
1292 BD*(1)O50-H51 0.000210171 - 0.622597157
1293 BD*(1)H52-O53 0.016851348 - 0.704244227
1294 BD*(1)O53-H54 0.016086852 - 0.700571165
1295 BD*(1)O55-H56 0.009443891 - 0.892553734
1296 BD*(1)O55-H57 0.000410225 - 0.750560736
1297 BD*(1)O58-H59 0.009095777 - 0.879716744
1298 BD*(1)O58-H60 0.000394738 - 0.734872479
1299 BD*(1)O61-H62 0.010000666 - 0.821922780
1300 BD*(1)O61-H63 0.019266539 - 0.704297539
1301 BD*(1)O64-H65 0.009696518 - 0.842098338
1302 BD*(1)O64-H66 0.015622494 - 0.714545579
1303 BD*(1)O67-H68 0.000206099 - 0.630095389
1304 BD*(1)O67-H69 0.000189760 - 0.627838373
1305 BD*(1)O70-H71 0.018579855 - 0.690098302
1306 BD*(1)O70-H72 0.000522671 - 0.659564707
1307 BD*(1)H73-O74 0.000199264 - 0.625121969
1308 BD*(1)O74-H75 0.000210171 - 0.622597157
1309 BD*(1)H76-O77 0.016851348 - 0.704244227
1310 BD*(1)O77-H78 0.016086852 - 0.700571165
1311 BD*(1)O79-H80 0.009191571 - 0.896035301
1312 BD*(1)O79-H81 0.000394045 - 0.746817556
1313 BD*(1)O82-H83 0.009191571 - 0.896035301
1314 BD*(1)O82-H84 0.000394045 - 0.746817556
1315 BD*(1)O85-H86 0.007889381 - 0.866721137
1316 BD*(1)O85-H87 0.000366153 - 0.736602803
1317 BD*(1)O88-H89 0.009649706 - 0.836472511
1318 BD*(1)O88-H90 0.017525545 - 0.713343909
1319 BD*(1)O91-H92 0.009649706 - 0.836472511
1320 BD*(1)O91-H93 0.017525545 - 0.713343909
1321 BD*(1)O94-H95 0.010445857 - 0.812749187
1322 BD*(1)O94-H96 0.015207936 - 0.680734347
1323 BD*(1)O97-H98 0.000198390 - 0.604294943
1324 BD*(1)O97-H99 0.000198390 - 0.604294943
1325 BD*(1)O100-H101 0.000298894 - 0.631068969
1326 BD*(1)O100-H102 0.000298894 - 0.631068969

Quote

FIREWORKS ENDED AND SPECTATORS GONE AWAY.... AH, HOW VAST AND DARK SHIKI