WebMO Job Summary

385491: CH2O2 formaldehyde-O-oxide NBO7, 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,NBO7Read)
Method B3LYP
Stoichiometry CH2O2
Symmetry CS
Basis 6-311+G(2d,p)
RB3LYP Energy -189.649185596 Hartree
Dipole Moment 4.3937 Debye
Server class (387074)
CPU time 44.6 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 80.8100569 2.69553335128
b 12.3984483 0.41356771891
c 10.7492263 0.35855559448

Partial Charges

Atom Symbol Charge
1 C 0.021296  
2 O 0.107656  
3 O -0.431077  
4 H 0.154791  
5 H 0.147335  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -19.30296
2 - 2 - -19.13736
3 - 2 - -10.29588
4 - 2 - -1.22099
5 - 2 - -0.92205
6 - 2 - -0.67841
7 - 2 - -0.56796
8 - 2 - -0.54673
9 - 2 - -0.51483
10 - 2 - -0.42301
11 - 2 - -0.26775
12 - 2 - -0.26291
13 - 0 - -0.11081
14 - 0 - -0.0017
15 - 0 - 0.02608
16 - 0 - 0.03899
17 - 0 - 0.05673
18 - 0 - 0.05805
19 - 0 - 0.10235
20 - 0 - 0.1696
21 - 0 - 0.19278
22 - 0 - 0.19676
23 - 0 - 0.19972
24 - 0 - 0.222
25 - 0 - 0.22445
26 - 0 - 0.24482
27 - 0 - 0.25873
28 - 0 - 0.28883
29 - 0 - 0.36856
30 - 0 - 0.42015
31 - 0 - 0.49026
32 - 0 - 0.50768
33 - 0 - 0.54801
34 - 0 - 0.55471
35 - 0 - 0.6321
36 - 0 - 0.74225
37 - 0 - 0.77178
38 - 0 - 0.83106
39 - 0 - 0.91473
40 - 0 - 0.96956
41 - 0 - 1.01058
42 - 0 - 1.0376
43 - 0 - 1.072
44 - 0 - 1.10146
45 - 0 - 1.1112
46 - 0 - 1.20004
47 - 0 - 1.28125
48 - 0 - 1.36791
49 - 0 - 1.45355
50 - 0 - 1.50917
51 - 0 - 1.54744
52 - 0 - 1.60383
53 - 0 - 1.61115
54 - 0 - 1.78658
55 - 0 - 1.84337
56 - 0 - 1.8556
57 - 0 - 1.95685
58 - 0 - 1.99247
59 - 0 - 2.19083
60 - 0 - 2.19159
61 - 0 - 2.32238
62 - 0 - 2.36446
63 - 0 - 2.44298
64 - 0 - 2.54966
65 - 0 - 2.70608
66 - 0 - 2.70706
67 - 0 - 2.75439
68 - 0 - 3.15126
69 - 0 - 3.21462
70 - 0 - 3.2682
71 - 0 - 3.33415
72 - 0 - 3.44596
73 - 0 - 3.87415
74 - 0 - 3.98531
75 - 0 - 4.76915
76 - 0 - 4.84143
77 - 0 - 4.99688
78 - 0 - 5.01878
79 - 0 - 5.47058
80 - 0 - 6.14213
81 - 0 - 6.69078
82 - 0 - 6.75851
83 - 0 - 6.77216
84 - 0 - 6.88025
85 - 0 - 6.8845
86 - 0 - 6.89343
87 - 0 - 6.94692
88 - 0 - 7.03689
89 - 0 - 7.16852
90 - 0 - 7.5051
91 - 0 - 23.95918
92 - 0 - 49.74629
93 - 0 - 49.87382
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C 0.15591  
2 O -0.09217  
3 O -0.41725  
4 H 0.17774  
5 H 0.17577  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1s) 1.999985167 - -10.295766524
2 C1 Val(2s) 1.064177531 - -0.269227936
3 C1 Ryd(3s) 0.005828628 - 0.691276079
4 C1 Ryd(4s) 0.000308183 - 3.142677237
5 C1 Ryd(5s) 0.000004987 - 19.128476640
6 C1 Val(2p) 0.861569958 - -0.092020483
7 C1 Ryd(3p) 0.008454191 - 0.705365695
8 C1 Ryd(5p) 0.000248506 - 2.054275368
9 C1 Ryd(4p) 0.000122596 - 1.335877702
10 C1 Val(2p) 1.054178697 - -0.109439230
11 C1 Ryd(3p) 0.003724996 - 0.799055378
12 C1 Ryd(5p) 0.000452566 - 2.279206716
13 C1 Ryd(4p) 0.000060222 - 1.099209692
14 C1 Val(2p) 0.832896948 - -0.197396658
15 C1 Ryd(3p) 0.005757187 - 0.506263672
16 C1 Ryd(5p) 0.000467680 - 1.546681406
17 C1 Ryd(4p) 0.000004217 - 1.238232115
18 C1 Ryd(3d) 0.001894292 - 2.602548064
19 C1 Ryd(4d) 0.000039625 - 2.689371176
20 C1 Ryd(3d) 0.000733905 - 1.885649484
21 C1 Ryd(4d) 0.000089246 - 2.230901321
22 C1 Ryd(3d) 0.000566462 - 1.753673561
23 C1 Ryd(4d) 0.000074285 - 2.189151501
24 C1 Ryd(3d) 0.001468568 - 2.523851184
25 C1 Ryd(4d) 0.000060764 - 2.532726729
26 C1 Ryd(3d) 0.000796616 - 2.133663892
27 C1 Ryd(4d) 0.000121270 - 2.526537683
28 O2 Cor(1s) 1.999995064 - -19.302864321
29 O2 Val(2s) 1.601466244 - -0.808327319
30 O2 Ryd(3s) 0.006716053 - 1.258001003
31 O2 Ryd(4s) 0.000099787 - 1.970078175
32 O2 Ryd(5s) 0.000000153 - 48.934835637
33 O2 Val(2p) 1.283684454 - -0.369818584
34 O2 Ryd(4p) 0.004681531 - 1.046057311
35 O2 Ryd(3p) 0.000180810 - 0.855180363
36 O2 Ryd(5p) 0.000011570 - 5.466300865
37 O2 Val(2p) 1.706408301 - -0.410978590
38 O2 Ryd(4p) 0.004124523 - 0.769813697
39 O2 Ryd(3p) 0.000169750 - 0.741900268
40 O2 Ryd(5p) 0.000019313 - 5.119330084
41 O2 Val(2p) 1.466091989 - -0.394395063
42 O2 Ryd(4p) 0.000195900 - 0.607108365
43 O2 Ryd(3p) 0.000126613 - 0.652464581
44 O2 Ryd(5p) 0.000010245 - 4.778946756
45 O2 Ryd(3d) 0.006399733 - 2.240986976
46 O2 Ryd(4d) 0.000027698 - 7.106117971
47 O2 Ryd(3d) 0.002682949 - 1.686466151
48 O2 Ryd(4d) 0.000011791 - 6.796535253
49 O2 Ryd(3d) 0.002679429 - 1.596696663
50 O2 Ryd(4d) 0.000007235 - 6.677725856
51 O2 Ryd(3d) 0.003076537 - 1.903673080
52 O2 Ryd(4d) 0.000060349 - 7.061235037
53 O2 Ryd(3d) 0.003231880 - 1.802034756
54 O2 Ryd(4d) 0.000014370 - 6.829324260
55 O3 Cor(1s) 1.999996180 - -19.136706536
56 O3 Val(2s) 1.878423266 - -0.780461357
57 O3 Ryd(3s) 0.003722164 - 1.340612127
58 O3 Ryd(4s) 0.000126248 - 1.576231892
59 O3 Ryd(5s) 0.000000118 - 48.903061355
60 O3 Val(2p) 1.121808294 - -0.213931018
61 O3 Ryd(4p) 0.003866365 - 0.785353243
62 O3 Ryd(3p) 0.000124062 - 0.668898102
63 O3 Ryd(5p) 0.000019416 - 5.332156468
64 O3 Val(2p) 1.714112141 - -0.254628278
65 O3 Ryd(4p) 0.002846691 - 0.682505599
66 O3 Ryd(3p) 0.000220548 - 0.685486001
67 O3 Ryd(5p) 0.000005105 - 5.085580883
68 O3 Val(2p) 1.684228066 - -0.266401490
69 O3 Ryd(4p) 0.001428746 - 0.631984983
70 O3 Ryd(3p) 0.000072659 - 0.648940565
71 O3 Ryd(5p) 0.000000910 - 4.952652969
72 O3 Ryd(3d) 0.002249621 - 2.124659873
73 O3 Ryd(4d) 0.000011368 - 6.934560902
74 O3 Ryd(3d) 0.001253657 - 1.894846729
75 O3 Ryd(4d) 0.000005339 - 6.719979558
76 O3 Ryd(3d) 0.000279997 - 1.766621856
77 O3 Ryd(4d) 0.000003458 - 6.624615694
78 O3 Ryd(3d) 0.001583797 - 2.063337446
79 O3 Ryd(4d) 0.000017974 - 6.900953331
80 O3 Ryd(3d) 0.000844281 - 1.864276927
81 O3 Ryd(4d) 0.000001922 - 6.747563769
82 H4 Val(1s) 0.818002648 - -0.036898666
83 H4 Ryd(2s) 0.003297577 - 0.408549389
84 H4 Ryd(3s) 0.000049810 - 2.105718734
85 H4 Ryd(2p) 0.000082415 - 1.938085783
86 H4 Ryd(2p) 0.000703690 - 2.625645997
87 H4 Ryd(2p) 0.000121446 - 1.668782684
88 H5 Val(1s) 0.822465281 - -0.045944167
89 H5 Ryd(2s) 0.000753055 - 0.371820720
90 H5 Ryd(3s) 0.000041534 - 2.184017858
91 H5 Ryd(2p) 0.000493632 - 2.466715123
92 H5 Ryd(2p) 0.000265317 - 2.099747257
93 H5 Ryd(2p) 0.000209642 - 1.663549986

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 CR(1)C1 s(100.00%) 1.999985167 - -10.295766524
2 CR(1)O2 s(100.00%) 1.999995064 - -19.302864321
3 CR(1)O3 s(100.00%) 1.999996180 - -19.136706536
4 LP(1)O2 s(39.55%)p1.53(60.35%)d0.00(0.10%) 1.974873306 - -0.589967857
5 LP(1)O3 s(79.05%)p0.26(20.93%)d0.00(0.01%) 1.993001052 - -0.693792316
6 LP(2)O3 s(11.88%)p7.41(88.07%)d0.00(0.05%) 1.979061795 - -0.335475595
7 LP(3)O3 s(0.00%)p1.00(99.92%)d0.00(0.08%) 1.685827579 - -0.267285574
8 BD(1)C1(O2) 1s(28.80%)p2.46(70.98%)d0.01(0.22%) 0.625763087 - -0.002832203
9 BD(1)O2(C1) 2s(38.97%)p1.56(60.62%)d0.01(0.40%) 1.384934306 - -0.547260207
10 BD(2)C1(O2) 1s(0.00%)p1.00(99.83%)d0.00(0.17%) 0.836706974 - -0.198585775
11 BD(2)O2(C1) 2s(0.00%)p1.00(99.77%)d0.00(0.23%) 1.469009848 - -0.396137152
12 BD(1)C1(H4) 1s(36.54%)p1.73(63.38%)d0.00(0.09%) 1.194662282 - -0.213253914
13 BD(1)H4(C1) 4s(99.92%)p0.00(0.08%) 0.818618821 - -0.032562822
14 BD(1)C1(H5) 1s(34.89%)p1.86(65.02%)d0.00(0.09%) 1.172570489 - -0.205311922
15 BD(1)H5(C1) 5s(99.92%)p0.00(0.08%) 0.823126009 - -0.043331019
16 BD(1)O2(O3) 2s(21.63%)p3.61(78.16%)d0.01(0.21%) 1.251853911 - -0.448175919
17 BD(1)O3(O2) 3s(9.43%)p9.56(90.14%)d0.05(0.43%) 0.755228353 - -0.197493545
18 RY(1)C1 s(35.07%)p1.69(59.33%)d0.16(5.60%) 0.007757332 - 1.179411465
19 RY(2)C1 s(0.00%)p1.00(80.82%)d0.24(19.18%) 0.003882956 - 0.571605987
20 RY(3)C1 s(3.47%)p24.23(84.08%)d3.59(12.45%) 0.002225436 - 1.222973881
21 RY(4)C1 s(3.74%)p4.42(16.52%)d21.31(79.74%) 0.000438139 - 1.694896273
22 RY(5)C1 s(30.51%)p1.14(34.88%)d1.13(34.60%) 0.000091997 - 1.980512749
23 RY(6)C1 s(21.74%)p0.52(11.38%)d3.08(66.88%) 0.000002276 - 4.371983566
24 RY(7)C1 s(17.00%)p2.88(49.04%)d2.00(33.96%) 0.000000115 - 1.999826279
25 RY(8)C1 s(21.35%)p2.45(52.22%)d1.24(26.43%) 0.000001041 - 1.304519542
26 RY(9)C1 s(87.19%)p0.06(5.07%)d0.09(7.74%) 0.000000000 - 16.156992048
27 RY(10)C1 s(1.67%)p56.99(95.28%)d1.83(3.05%) 0.000000000 - 2.086623638
28 RY(11)C1 s(4.36%)p12.55(54.67%)d9.41(40.97%) 0.000000000 - 1.571189318
29 RY(12)C1 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000000 - 1.675262938
30 RY(13)C1 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000000 - 1.237528114
31 RY(14)C1 s(13.40%)p4.03(53.96%)d2.44(32.64%) 0.000000000 - 1.802638740
32 RY(15)C1 s(0.96%)p1.80(1.72%)d99.99(97.32%) 0.000000000 - 2.845291463
33 RY(16)C1 s(0.00%)p1.00(17.57%)d4.69(82.43%) 0.000000000 - 1.637426139
34 RY(17)C1 s(0.00%)p1.00(0.86%)d99.99(99.14%) 0.000000000 - 2.314866944
35 RY(18)C1 s(0.00%)p1.00(0.17%)d99.99(99.83%) 0.000000000 - 1.747245748
36 RY(19)C1 s(0.00%)p1.00(0.76%)d99.99(99.24%) 0.000000000 - 2.167806308
37 RY(20)C1 s(24.14%)p1.61(38.82%)d1.53(37.04%) 0.000000000 - 2.596326450
38 RY(21)C1 s(11.51%)p1.70(19.55%)d5.99(68.95%) 0.000000000 - 2.487334591
39 RY(22)C1 s(23.66%)p1.02(24.12%)d2.21(52.22%) 0.000000000 - 2.894309622
40 RY(1)O2 s(29.10%)p1.35(39.20%)d1.09(31.70%) 0.005278081 - 0.915242636
41 RY(2)O2 s(0.00%)p1.00(9.65%)d9.36(90.35%) 0.002796303 - 1.684832138
42 RY(3)O2 s(2.13%)p22.05(46.96%)d23.91(50.91%) 0.002024708 - 1.755819235
43 RY(4)O2 s(11.78%)p6.65(78.34%)d0.84(9.87%) 0.000990788 - 0.995153483
44 RY(5)O2 s(28.28%)p1.49(42.23%)d1.04(29.49%) 0.000411710 - 1.182104269
45 RY(6)O2 s(39.12%)p1.15(45.09%)d0.40(15.79%) 0.000004793 - 3.213164233
46 RY(7)O2 s(4.11%)p17.27(70.93%)d6.08(24.96%) 0.000001128 - 3.807005513
47 RY(8)O2 s(17.83%)p4.00(71.37%)d0.61(10.80%) 0.000000000 - 3.774617778
48 RY(9)O2 s(3.28%)p8.08(26.54%)d21.37(70.18%) 0.000000000 - 5.093771704
49 RY(10)O2 s(0.00%)p1.00(89.50%)d0.12(10.50%) 0.000000000 - 1.092563528
50 RY(11)O2 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000000 - 0.240352090
51 RY(12)O2 s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.000000000 - 4.776206008
52 RY(13)O2 s(99.42%)p0.00(0.42%)d0.00(0.16%) 0.000000000 - 48.820402567
53 RY(14)O2 s(16.06%)p0.76(12.16%)d4.47(71.78%) 0.000000325 - 4.040468136
54 RY(15)O2 s(12.31%)p3.88(47.84%)d3.24(39.84%) 0.000000000 - 4.068979625
55 RY(16)O2 s(0.00%)p1.00(0.05%)d99.99(99.95%) 0.000000000 - 6.712643513
56 RY(17)O2 s(0.00%)p1.00(1.04%)d94.93(98.96%) 0.000000000 - 1.608618588
57 RY(18)O2 s(0.00%)p1.00(0.02%)d99.99(99.98%) 0.000000000 - 6.682469849
58 RY(19)O2 s(11.58%)p5.22(60.47%)d2.42(27.95%) 0.000000000 - 2.307232092
59 RY(20)O2 s(1.36%)p2.87(3.90%)d69.73(94.74%) 0.000000000 - 6.717180184
60 RY(21)O2 s(17.11%)p1.13(19.42%)d3.71(63.46%) 0.000000000 - 2.394732482
61 RY(22)O2 s(6.37%)p5.65(36.01%)d9.05(57.62%) 0.000000000 - 4.015275035
62 RY(1)O3 s(17.60%)p4.30(75.73%)d0.38(6.66%) 0.002371027 - 0.987836111
63 RY(2)O3 s(0.00%)p1.00(86.26%)d0.16(13.74%) 0.001445253 - 0.972471959
64 RY(3)O3 s(23.72%)p2.64(62.60%)d0.58(13.68%) 0.000235677 - 1.140074995
65 RY(4)O3 s(42.52%)p0.79(33.55%)d0.56(23.93%) 0.000060877 - 1.324618404
66 RY(5)O3 s(8.15%)p3.38(27.53%)d7.90(64.33%) 0.000021868 - 2.268933944
67 RY(6)O3 s(13.51%)p5.35(72.29%)d1.05(14.20%) 0.000002291 - 2.803824418
68 RY(7)O3 s(15.90%)p0.83(13.21%)d4.46(70.89%) 0.000000381 - 3.624320503
69 RY(8)O3 s(94.65%)p0.04(3.78%)d0.02(1.57%) 0.000000000 - 46.575139336
70 RY(9)O3 s(0.36%)p99.99(98.48%)d3.19(1.16%) 0.000000000 - 4.968484363
71 RY(10)O3 s(52.91%)p0.50(26.42%)d0.39(20.67%) 0.000000000 - 2.230165794
72 RY(11)O3 s(0.00%)p1.00(99.93%)d0.00(0.07%) 0.000000000 - 0.468212437
73 RY(12)O3 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000000 - 4.951440072
74 RY(13)O3 s(5.20%)p10.39(54.06%)d7.83(40.74%) 0.000000000 - 2.893310752
75 RY(14)O3 s(6.42%)p5.51(35.34%)d9.08(58.24%) 0.000000000 - 4.308286620
76 RY(15)O3 s(0.00%)p1.00(12.08%)d7.28(87.92%) 0.000000000 - 1.803076766
77 RY(16)O3 s(0.00%)p1.00(0.23%)d99.99(99.77%) 0.000000000 - 6.678289405
78 RY(17)O3 s(0.00%)p1.00(1.40%)d70.25(98.60%) 0.000000000 - 1.761421535
79 RY(18)O3 s(0.00%)p1.00(0.19%)d99.99(99.81%) 0.000000000 - 6.605614266
80 RY(19)O3 s(6.33%)p11.27(71.38%)d3.52(22.28%) 0.000000058 - 4.445478164
81 RY(20)O3 s(3.05%)p2.20(6.69%)d29.61(90.26%) 0.000000000 - 5.973769133
82 RY(21)O3 s(8.38%)p1.20(10.09%)d9.73(81.53%) 0.000000000 - 1.950900781
83 RY(22)O3 s(0.94%)p10.37(9.70%)d95.53(89.37%) 0.000000000 - 6.177835405
84 RY(1)H4 s(99.79%)p0.00(0.21%) 0.003342504 - 0.409871961
85 RY(2)H4 s(0.00%)p1.00(100.00%) 0.000121446 - 1.668782684
86 RY(3)H4 s(16.58%)p5.03(83.42%) 0.000101742 - 2.425909780
87 RY(4)H4 s(45.77%)p1.19(54.23%) 0.000069751 - 2.094228492
88 RY(5)H4 s(37.95%)p1.64(62.05%) 0.000003322 - 2.143653825
89 RY(1)H5 s(98.36%)p0.02(1.64%) 0.000769213 - 0.425138365
90 RY(2)H5 s(0.00%)p1.00(100.00%) 0.000209642 - 1.663549986
91 RY(3)H5 s(18.95%)p4.28(81.05%) 0.000085975 - 2.480132649
92 RY(4)H5 s(78.08%)p0.28(21.92%) 0.000033326 - 2.076206017
93 RY(5)H5 s(4.69%)p20.30(95.31%) 0.000004297 - 2.138210780

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 CR(1)C1 3121 1.999985167 - -10.295766524
2 CR(1)O2 3122 1.999995064 - -19.302864321
3 CR(1)O3 3123 1.999996180 - -19.136706536
4 LP(1)O2 3124 1.974873306 - -0.589967857
5 LP(1)O3 3125 1.993001052 - -0.693792316
6 LP(2)O3 3126 1.979061795 - -0.335475595
7 LP(3)O3 3127 1.685827579 - -0.267285574
8 BD(1)C1-O2 3128, 3129 1.998431261 - -0.982430225
9 BD(2)C1-O2 3130, 3131 1.998395599 - -0.481385491
10 BD(1)C1-H4 3132, 3133 1.994845846 - -0.581363728
11 BD(1)C1-H5 3134, 3135 1.982299241 - -0.581950207
12 BD(1)O2-O3 3136, 3137 1.989413888 - -0.817849156
13 BD*(1)C1-O2 0.012266131 - 0.432337815
14 BD*(2)C1-O2 0.307321222 - -0.113337436
15 BD*(1)C1-H4 0.018435257 - 0.335546992
16 BD*(1)C1-H5 0.013397258 - 0.333307265
17 BD*(1)O2-O3 0.017668376 - 0.172179692
18 RY(1)C1 3138 0.007757332 - 1.179411465
19 RY(2)C1 3139 0.003882956 - 0.571605987
20 RY(3)C1 3140 0.002225436 - 1.222973881
21 RY(4)C1 3141 0.000438139 - 1.694896273
22 RY(5)C1 3142 0.000091997 - 1.980512749
23 RY(6)C1 3143 0.000002276 - 4.371983566
24 RY(7)C1 3144 0.000000115 - 1.999826279
25 RY(8)C1 3145 0.000001041 - 1.304519542
26 RY(9)C1 3146 0.000000000 - 16.156992048
27 RY(10)C1 3147 0.000000000 - 2.086623638
28 RY(11)C1 3148 0.000000000 - 1.571189318
29 RY(12)C1 3149 0.000000000 - 1.675262938
30 RY(13)C1 3150 0.000000000 - 1.237528114
31 RY(14)C1 3151 0.000000000 - 1.802638740
32 RY(15)C1 3152 0.000000000 - 2.845291463
33 RY(16)C1 3153 0.000000000 - 1.637426139
34 RY(17)C1 3154 0.000000000 - 2.314866944
35 RY(18)C1 3155 0.000000000 - 1.747245748
36 RY(19)C1 3156 0.000000000 - 2.167806308
37 RY(20)C1 3157 0.000000000 - 2.596326450
38 RY(21)C1 3158 0.000000000 - 2.487334591
39 RY(22)C1 3159 0.000000000 - 2.894309622
40 RY(1)O2 3160 0.005278081 - 0.915242636
41 RY(2)O2 3161 0.002796303 - 1.684832138
42 RY(3)O2 3162 0.002024708 - 1.755819235
43 RY(4)O2 3163 0.000990788 - 0.995153483
44 RY(5)O2 3164 0.000411710 - 1.182104269
45 RY(6)O2 3165 0.000004793 - 3.213164233
46 RY(7)O2 3166 0.000001128 - 3.807005513
47 RY(8)O2 3167 0.000000000 - 3.774617778
48 RY(9)O2 3168 0.000000000 - 5.093771704
49 RY(10)O2 3169 0.000000000 - 1.092563528
50 RY(11)O2 3170 0.000000000 - 0.240352090
51 RY(12)O2 3171 0.000000000 - 4.776206008
52 RY(13)O2 3172 0.000000000 - 48.820402567
53 RY(14)O2 3173 0.000000325 - 4.040468136
54 RY(15)O2 3174 0.000000000 - 4.068979625
55 RY(16)O2 3175 0.000000000 - 6.712643513
56 RY(17)O2 3176 0.000000000 - 1.608618588
57 RY(18)O2 3177 0.000000000 - 6.682469849
58 RY(19)O2 3178 0.000000000 - 2.307232092
59 RY(20)O2 3179 0.000000000 - 6.717180184
60 RY(21)O2 3180 0.000000000 - 2.394732482
61 RY(22)O2 3181 0.000000000 - 4.015275035
62 RY(1)O3 3182 0.002371027 - 0.987836111
63 RY(2)O3 3183 0.001445253 - 0.972471959
64 RY(3)O3 3184 0.000235677 - 1.140074995
65 RY(4)O3 3185 0.000060877 - 1.324618404
66 RY(5)O3 3186 0.000021868 - 2.268933944
67 RY(6)O3 3187 0.000002291 - 2.803824418
68 RY(7)O3 3188 0.000000381 - 3.624320503
69 RY(8)O3 3189 0.000000000 - 46.575139336
70 RY(9)O3 3190 0.000000000 - 4.968484363
71 RY(10)O3 3191 0.000000000 - 2.230165794
72 RY(11)O3 3192 0.000000000 - 0.468212437
73 RY(12)O3 3193 0.000000000 - 4.951440072
74 RY(13)O3 3194 0.000000000 - 2.893310752
75 RY(14)O3 3195 0.000000000 - 4.308286620
76 RY(15)O3 3196 0.000000000 - 1.803076766
77 RY(16)O3 3197 0.000000000 - 6.678289405
78 RY(17)O3 3198 0.000000000 - 1.761421535
79 RY(18)O3 3199 0.000000000 - 6.605614266
80 RY(19)O3 3200 0.000000058 - 4.445478164
81 RY(20)O3 3201 0.000000000 - 5.973769133
82 RY(21)O3 3202 0.000000000 - 1.950900781
83 RY(22)O3 3203 0.000000000 - 6.177835405
84 RY(1)H4 3204 0.003342504 - 0.409871961
85 RY(2)H4 3205 0.000121446 - 1.668782684
86 RY(3)H4 3206 0.000101742 - 2.425909780
87 RY(4)H4 3207 0.000069751 - 2.094228492
88 RY(5)H4 3208 0.000003322 - 2.143653825
89 RY(1)H5 3209 0.000769213 - 0.425138365
90 RY(2)H5 3210 0.000209642 - 1.663549986
91 RY(3)H5 3211 0.000085975 - 2.480132649
92 RY(4)H5 3212 0.000033326 - 2.076206017
93 RY(5)H5 3213 0.000004297 - 2.138210780

Quote

Experience is what you get when you don't get what you want. -- Dan Stanford