1 |
BD(1)C1(C2) 1s(30.54%)p2.27(69.36%)d0.00(0.10%) |
1.094042296 |
- |
-0.417033517 |
|
2 |
BD(1)C2(C1) 2s(25.66%)p2.89(74.21%)d0.00(0.13%) |
0.849982053 |
- |
-0.335357537 |
|
3 |
BD(1)C1(C6) 1s(22.38%)p3.46(77.39%)d0.01(0.23%) |
0.955706589 |
- |
-0.403175472 |
|
4 |
BD(1)C6(C1) 6s(60.63%)p0.65(39.36%)d0.00(0.01%) |
1.056688225 |
- |
-0.459869972 |
|
5 |
BD(1)C1(H8) 1s(23.56%)p3.24(76.29%)d0.01(0.15%) |
1.261097325 |
- |
-0.435951225 |
|
6 |
BD(1)H8(C1) 8s(99.96%)p0.00(0.04%) |
0.679910547 |
- |
-0.197580492 |
|
7 |
BD(1)C1(H9) 1s(23.56%)p3.24(76.29%)d0.01(0.15%) |
1.261097325 |
- |
-0.435951225 |
|
8 |
BD(1)H9(C1) 9s(99.96%)p0.00(0.04%) |
0.679910547 |
- |
-0.197580492 |
|
9 |
BD(1)C2(H3) 2s(23.92%)p3.18(75.97%)d0.00(0.11%) |
1.235084591 |
- |
-0.358554745 |
|
10 |
BD(1)H3(C2) 3s(99.97%)p0.00(0.03%) |
0.742268351 |
- |
-0.149147018 |
|
11 |
BD(1)C2(H4) 2s(25.25%)p2.96(74.63%)d0.00(0.12%) |
1.232199345 |
- |
-0.363205864 |
|
12 |
BD(1)H4(C2) 4s(99.97%)p0.00(0.03%) |
0.761209822 |
- |
-0.156034534 |
|
13 |
BD(1)C2(H5) 2s(25.25%)p2.96(74.63%)d0.00(0.12%) |
1.232199345 |
- |
-0.363205864 |
|
14 |
BD(1)H5(C2) 5s(99.97%)p0.00(0.03%) |
0.761209822 |
- |
-0.156034534 |
|
15 |
BD(1)C6(O7) 6s(39.61%)p1.52(60.27%)d0.00(0.11%) |
0.671781003 |
- |
-0.167473227 |
|
16 |
BD(1)O7(C6) 7s(44.86%)p1.21(54.42%)d0.02(0.71%) |
1.338877400 |
- |
-0.873368893 |
|
17 |
BD(2)C6(O7) 6s(0.06%)p99.99(99.76%)d3.33(0.19%) |
0.641042165 |
- |
-0.401239172 |
|
18 |
BD(2)O7(C6) 7s(0.12%)p99.99(99.34%)d4.60(0.54%) |
1.444162544 |
- |
-0.603370087 |
|
19 |
BD(3)C6(O7) 6s(0.00%)p1.00(99.81%)d0.00(0.19%) |
0.641812864 |
- |
-0.402251662 |
|
20 |
BD(3)O7(C6) 7s(0.00%)p1.00(99.46%)d0.01(0.54%) |
1.444326165 |
- |
-0.603026011 |
|
21 |
CR(1)C1 s(100.00%)p0.00(0.00%) |
1.999125742 |
- |
-10.339619011 |
|
22 |
CR(1)C2 s(100.00%)p0.00(0.00%) |
1.999293531 |
- |
-10.256827585 |
|
23 |
CR(1)C6 s(100.00%)p0.00(0.00%) |
1.999462025 |
- |
-10.485247869 |
|
24 |
CR(1)O7 s(100.00%)p0.00(0.00%) |
1.999702231 |
- |
-19.209477851 |
|
25 |
LP(1)O7 s(54.99%)p0.82(44.84%)d0.00(0.18%) |
1.981930334 |
- |
-1.031268444 |
|
26 |
RY*(1)C1 s(0.00%)p1.00(63.55%)d0.57(36.45%) |
0.001171746 |
- |
0.810950336 |
|
27 |
RY*(2)C1 s(22.93%)p1.24(28.53%)d2.12(48.55%) |
0.000884250 |
- |
1.169261723 |
|
28 |
RY*(3)C1 s(31.63%)p1.06(33.65%)d1.10(34.72%) |
0.000462210 |
- |
1.596080563 |
|
29 |
RY*(4)C1 s(2.46%)p33.08(81.30%)d6.61(16.24%) |
0.000417689 |
- |
1.209825310 |
|
30 |
RY*(5)C1 s(14.02%)p5.53(77.58%)d0.60(8.41%) |
0.000321767 |
- |
1.287433942 |
|
31 |
RY*(6)C1 s(9.10%)p5.85(53.23%)d4.14(37.67%) |
0.000143660 |
- |
2.015385242 |
|
32 |
RY*(7)C1 s(0.00%)p1.00(26.24%)d2.81(73.76%) |
0.000142423 |
- |
1.860757544 |
|
33 |
RY*(8)C1 s(31.60%)p0.72(22.83%)d1.44(45.58%) |
0.000088927 |
- |
1.057746297 |
|
34 |
RY*(9)C1 s(23.46%)p2.60(61.10%)d0.66(15.44%) |
0.000005992 |
- |
0.623626219 |
|
35 |
RY*(10)C1 s(4.04%)p22.96(92.85%)d0.77(3.11%) |
0.000001276 |
- |
1.665037128 |
|
36 |
RY*(11)C1 s(0.00%)p1.00(53.69%)d0.86(46.31%) |
-0.000000000 |
- |
1.785055581 |
|
37 |
RY*(12)C1 s(0.00%)p1.00(98.94%)d0.01(1.06%) |
-0.000000000 |
- |
2.340251074 |
|
38 |
RY*(13)C1 s(98.42%)p0.01(0.84%)d0.01(0.74%) |
0.000000813 |
- |
22.188138666 |
|
39 |
RY*(14)C1 s(25.68%)p0.48(12.23%)d2.42(62.09%) |
0.000000582 |
- |
2.604891524 |
|
40 |
RY*(15)C1 s(0.00%)p1.00(13.29%)d6.53(86.71%) |
-0.000000000 |
- |
1.820458649 |
|
41 |
RY*(16)C1 s(0.00%)p1.00(40.84%)d1.45(59.16%) |
0.000000000 |
- |
2.068694226 |
|
42 |
RY*(17)C1 s(0.00%)p1.00(3.67%)d26.28(96.33%) |
0.000000000 |
- |
0.730163494 |
|
43 |
RY*(18)C1 s(19.44%)p3.46(67.21%)d0.69(13.35%) |
0.000003810 |
- |
1.167253259 |
|
44 |
RY*(19)C1 s(0.90%)p20.12(18.00%)d90.61(81.10%) |
0.000000565 |
- |
1.294478678 |
|
45 |
RY*(20)C1 s(11.11%)p4.03(44.76%)d3.97(44.13%) |
0.000001947 |
- |
1.642646085 |
|
46 |
RY*(21)C1 s(5.08%)p0.94(4.80%)d17.73(90.12%) |
0.000001448 |
- |
1.730017690 |
|
47 |
RY*(22)C1 s(0.08%)p19.93(1.57%)d99.99(98.35%) |
0.000000332 |
- |
3.099664749 |
|
48 |
RY*(1)C2 s(0.00%)p1.00(90.69%)d0.10(9.31%) |
0.001615356 |
- |
0.588465229 |
|
49 |
RY*(2)C2 s(5.02%)p16.53(82.94%)d2.40(12.04%) |
0.001162350 |
- |
0.585196616 |
|
50 |
RY*(3)C2 s(19.81%)p3.61(71.48%)d0.44(8.71%) |
0.000600977 |
- |
1.160705355 |
|
51 |
RY*(4)C2 s(30.72%)p1.46(44.81%)d0.80(24.47%) |
0.000128679 |
- |
0.766169374 |
|
52 |
RY*(5)C2 s(12.93%)p1.16(14.98%)d5.58(72.10%) |
0.000084430 |
- |
0.694155396 |
|
53 |
RY*(6)C2 s(0.76%)p99.99(99.17%)d0.08(0.06%) |
0.000001535 |
- |
1.541748928 |
|
54 |
RY*(7)C2 s(48.42%)p0.78(37.95%)d0.28(13.63%) |
0.000010721 |
- |
1.417105970 |
|
55 |
RY*(8)C2 s(14.03%)p4.67(65.51%)d1.46(20.47%) |
0.000004378 |
- |
0.838475893 |
|
56 |
RY*(9)C2 s(10.30%)p8.60(88.52%)d0.11(1.18%) |
0.000000110 |
- |
2.298925422 |
|
57 |
RY*(10)C2 s(19.39%)p3.89(75.49%)d0.26(5.12%) |
0.000000083 |
- |
0.500230875 |
|
58 |
RY*(11)C2 s(0.00%)p1.00(100.00%)d0.00(0.00%) |
0.000002274 |
- |
0.059166311 |
|
59 |
RY*(12)C2 s(0.00%)p1.00(100.00%) |
0.000000696 |
- |
2.978296657 |
|
60 |
RY*(13)C2 s(34.92%)p0.17(5.91%)d1.69(59.17%) |
0.000000070 |
- |
1.330777233 |
|
61 |
RY*(14)C2 s(0.08%)p3.01(0.24%)d99.99(99.68%) |
0.000002037 |
- |
3.040312679 |
|
62 |
RY*(15)C2 s(0.00%)p1.00(3.28%)d29.49(96.72%) |
0.000005845 |
- |
1.434848016 |
|
63 |
RY*(16)C2 s(0.00%)p1.00(1.36%)d72.69(98.64%) |
0.000002749 |
- |
2.868477807 |
|
64 |
RY*(17)C2 s(0.00%)p1.00(0.23%)d99.99(99.77%) |
0.000003998 |
- |
1.178307008 |
|
65 |
RY*(18)C2 s(0.00%)p1.00(4.62%)d20.64(95.38%) |
0.000003298 |
- |
2.479239055 |
|
66 |
RY*(19)C2 s(98.85%)p0.01(1.04%)d0.00(0.10%) |
0.000000064 |
- |
22.496643904 |
|
67 |
RY*(20)C2 s(4.34%)p1.47(6.39%)d20.57(89.27%) |
0.000001265 |
- |
2.943220762 |
|
68 |
RY*(21)C2 s(0.14%)p37.80(5.26%)d99.99(94.60%) |
0.000001320 |
- |
1.390920293 |
|
69 |
RY*(22)C2 s(0.22%)p3.11(0.70%)d99.99(99.08%) |
0.000000938 |
- |
2.878801831 |
|
70 |
RY*(1)H3 s(93.76%)p0.07(6.24%) |
0.000410764 |
- |
0.865330099 |
|
71 |
RY*(2)H3 s(40.47%)p1.47(59.53%) |
0.000123429 |
- |
1.809706640 |
|
72 |
RY*(3)H3 s(0.00%)p1.00(100.00%) |
0.000128454 |
- |
1.728649954 |
|
73 |
RY*(4)H3 s(60.04%)p0.67(39.96%) |
0.000052283 |
- |
1.784449323 |
|
74 |
RY*(5)H3 s(5.78%)p16.31(94.22%) |
0.000011940 |
- |
2.353231728 |
|
75 |
RY*(1)H4 s(91.34%)p0.09(8.66%) |
0.000454902 |
- |
0.726618116 |
|
76 |
RY*(2)H4 s(42.69%)p1.34(57.31%) |
0.000155480 |
- |
1.841196665 |
|
77 |
RY*(3)H4 s(0.29%)p99.99(99.71%) |
0.000108527 |
- |
1.774887015 |
|
78 |
RY*(4)H4 s(57.84%)p0.73(42.16%) |
0.000056838 |
- |
1.881626658 |
|
79 |
RY*(5)H4 s(7.88%)p11.69(92.12%) |
0.000010752 |
- |
2.368406943 |
|
80 |
RY*(1)H5 s(91.34%)p0.09(8.66%) |
0.000454902 |
- |
0.726618116 |
|
81 |
RY*(2)H5 s(42.69%)p1.34(57.31%) |
0.000155480 |
- |
1.841196665 |
|
82 |
RY*(3)H5 s(0.29%)p99.99(99.71%) |
0.000108527 |
- |
1.774887015 |
|
83 |
RY*(4)H5 s(57.84%)p0.73(42.16%) |
0.000056838 |
- |
1.881626658 |
|
84 |
RY*(5)H5 s(7.88%)p11.69(92.12%) |
0.000010752 |
- |
2.368406943 |
|
85 |
RY*(1)C6 s(20.41%)p3.90(79.55%)d0.00(0.04%) |
0.015235468 |
- |
0.807356027 |
|
86 |
RY*(2)C6 s(31.56%)p1.04(32.83%)d1.13(35.61%) |
0.002234245 |
- |
1.355718705 |
|
87 |
RY*(3)C6 s(43.87%)p0.68(29.83%)d0.60(26.29%) |
0.001191914 |
- |
1.487888975 |
|
88 |
RY*(4)C6 s(0.00%)p1.00(8.61%)d10.62(91.39%) |
0.001143502 |
- |
2.306871683 |
|
89 |
RY*(5)C6 s(0.00%)p1.00(38.50%)d1.60(61.50%) |
0.000202603 |
- |
0.615800081 |
|
90 |
RY*(6)C6 s(30.24%)p1.30(39.18%)d1.01(30.58%) |
0.000184272 |
- |
0.794039497 |
|
91 |
RY*(7)C6 s(11.40%)p5.04(57.48%)d2.73(31.12%) |
0.000092413 |
- |
1.545335744 |
|
92 |
RY*(8)C6 s(13.60%)p4.30(58.43%)d2.06(27.97%) |
0.000030866 |
- |
4.074914252 |
|
93 |
RY*(9)C6 s(7.34%)p11.66(85.56%)d0.97(7.09%) |
0.000000084 |
- |
1.743528362 |
|
94 |
RY*(10)C6 s(0.00%)p1.00(63.14%)d0.58(36.86%) |
0.000000000 |
- |
1.194681247 |
|
95 |
RY*(11)C6 s(0.00%)p1.00(71.25%)d0.40(28.75%) |
-0.000000000 |
- |
0.791777826 |
|
96 |
RY*(12)C6 s(0.00%)p1.00(92.27%)d0.08(7.73%) |
0.000000000 |
- |
2.251544665 |
|
97 |
RY*(13)C6 s(90.73%)p0.02(1.98%)d0.08(7.29%) |
0.000003527 |
- |
17.499321454 |
|
98 |
RY*(14)C6 s(1.96%)p6.39(12.51%)d43.65(85.53%) |
0.000001377 |
- |
2.622796979 |
|
99 |
RY*(15)C6 s(0.50%)p99.99(92.46%)d14.14(7.04%) |
0.000000039 |
- |
1.866658528 |
|
100 |
RY*(16)C6 s(0.00%)p1.00(18.43%)d4.43(81.57%) |
0.000000000 |
- |
2.208909597 |
|
101 |
RY*(17)C6 s(15.55%)p2.90(45.15%)d2.53(39.29%) |
0.000000075 |
- |
2.872592756 |
|
102 |
RY*(18)C6 s(0.00%)p1.00(8.00%)d11.50(92.00%) |
0.000000000 |
- |
2.174374055 |
|
103 |
RY*(19)C6 s(30.33%)p1.94(58.76%)d0.36(10.91%) |
0.000000976 |
- |
0.802455764 |
|
104 |
RY*(20)C6 s(0.31%)p1.18(0.36%)d99.99(99.33%) |
0.000000240 |
- |
2.517452301 |
|
105 |
RY*(21)C6 s(1.01%)p4.90(4.97%)d92.74(94.02%) |
0.000000158 |
- |
2.200258705 |
|
106 |
RY*(22)C6 s(0.88%)p1.76(1.55%)d99.99(97.57%) |
0.000000961 |
- |
2.016465252 |
|
107 |
RY*(1)O7 s(85.86%)p0.13(10.81%)d0.04(3.33%) |
0.002462798 |
- |
1.661292215 |
|
108 |
RY*(2)O7 s(3.86%)p22.38(86.35%)d2.54(9.80%) |
0.000622277 |
- |
0.826844496 |
|
109 |
RY*(3)O7 s(0.00%)p1.00(85.84%)d0.17(14.16%) |
0.000523733 |
- |
0.898889977 |
|
110 |
RY*(4)O7 s(1.02%)p51.09(52.22%)d45.74(46.76%) |
0.000192114 |
- |
0.980704243 |
|
111 |
RY*(5)O7 s(5.04%)p10.98(55.35%)d7.86(39.61%) |
0.000045058 |
- |
1.415459518 |
|
112 |
RY*(6)O7 s(0.00%)p1.00(21.66%)d3.62(78.34%) |
0.000015599 |
- |
1.419157387 |
|
113 |
RY*(7)O7 s(99.99%)p0.00(0.01%)d0.00(0.00%) |
0.000000021 |
- |
49.288626402 |
|
114 |
RY*(8)O7 s(70.70%)p0.06(4.38%)d0.35(24.92%) |
0.000004244 |
- |
0.862350701 |
|
115 |
RY*(9)O7 s(1.24%)p74.69(92.48%)d5.07(6.28%) |
0.000007614 |
- |
4.973057648 |
|
116 |
RY*(10)O7 s(3.42%)p28.17(96.25%)d0.10(0.33%) |
0.000000230 |
- |
0.873016856 |
|
117 |
RY*(11)O7 s(0.00%)p1.00(83.18%)d0.20(16.82%) |
0.000000000 |
- |
1.086026891 |
|
118 |
RY*(12)O7 s(0.00%)p1.00(96.90%)d0.03(3.10%) |
-0.000000000 |
- |
4.275279646 |
|
119 |
RY*(13)O7 s(15.95%)p2.47(39.31%)d2.81(44.75%) |
0.000007619 |
- |
1.506952981 |
|
120 |
RY*(14)O7 s(0.43%)p4.10(1.77%)d99.99(97.80%) |
0.000000349 |
- |
6.490140785 |
|
121 |
RY*(15)O7 s(0.03%)p99.99(99.91%)d1.77(0.06%) |
0.000004031 |
- |
4.520752363 |
|
122 |
RY*(16)O7 s(0.00%)p1.00(0.79%)d99.99(99.21%) |
-0.000000000 |
- |
6.152396659 |
|
123 |
RY*(17)O7 s(0.00%)p1.00(8.08%)d11.38(91.92%) |
0.000000000 |
- |
1.173154021 |
|
124 |
RY*(18)O7 s(0.00%)p1.00(4.09%)d23.44(95.91%) |
0.000000000 |
- |
6.093408019 |
|
125 |
RY*(19)O7 s(0.75%)p20.16(15.12%)d99.99(84.13%) |
0.000001737 |
- |
1.283041094 |
|
126 |
RY*(20)O7 s(0.03%)p99.99(6.14%)d99.99(93.84%) |
0.000000637 |
- |
6.152618165 |
|
127 |
RY*(21)O7 s(11.47%)p3.54(40.64%)d4.17(47.89%) |
0.000001262 |
- |
1.378904409 |
|
128 |
RY*(22)O7 s(0.25%)p2.68(0.66%)d99.99(99.09%) |
0.000000055 |
- |
6.402014465 |
|
129 |
RY*(1)H8 s(94.39%)p0.06(5.61%) |
0.000678460 |
- |
0.553154149 |
|
130 |
RY*(2)H8 s(25.53%)p2.92(74.47%) |
0.000144342 |
- |
1.793220938 |
|
131 |
RY*(3)H8 s(7.11%)p13.06(92.89%) |
0.000104720 |
- |
1.837921586 |
|
132 |
RY*(4)H8 s(63.62%)p0.57(36.38%) |
0.000079561 |
- |
2.016889447 |
|
133 |
RY*(5)H8 s(9.39%)p9.65(90.61%) |
0.000034533 |
- |
2.287804569 |
|
134 |
RY*(1)H9 s(94.39%)p0.06(5.61%) |
0.000678460 |
- |
0.553154149 |
|
135 |
RY*(2)H9 s(25.53%)p2.92(74.47%) |
0.000144342 |
- |
1.793220938 |
|
136 |
RY*(3)H9 s(7.11%)p13.06(92.89%) |
0.000104720 |
- |
1.837921586 |
|
137 |
RY*(4)H9 s(63.62%)p0.57(36.38%) |
0.000079561 |
- |
2.016889447 |
|
138 |
RY*(5)H9 s(9.39%)p9.65(90.61%) |
0.000034533 |
- |
2.287804569 |
|