WebMO Job Summary

395584: CHON fulminic acid (atoms only), 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)
Method B3LYP
Stoichiometry CHNO
Symmetry C*V
Basis 6-311+G(2d,p)
RB3LYP Energy -168.632545735 Hartree
Dipole Moment 3.2972 Debye
Server class (397157)
CPU time 88.6 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 0.0000000 0.00000000000
b 11.5048864 0.38376170224
c 11.5048864 0.38376170224

Partial Charges

Atom Symbol Charge
1 C -0.209903  
2 N 0.258468  
3 O -0.243812  
4 H 0.195248  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -19.17316
2 - 2 - -14.48073
3 - 2 - -10.24257
4 - 2 - -1.17323
5 - 2 - -0.93441
6 - 2 - -0.61113
7 - 2 - -0.54114
8 - 2 - -0.50337
9 - 2 - -0.50337
10 - 2 - -0.28703
11 - 2 - -0.28703
12 - 0 - -0.01185
13 - 0 - -0.01185
14 - 0 - 0.00045
15 - 0 - 0.02077
16 - 0 - 0.07404
17 - 0 - 0.07404
18 - 0 - 0.07695
19 - 0 - 0.15
20 - 0 - 0.15703
21 - 0 - 0.15703
22 - 0 - 0.1778
23 - 0 - 0.22786
24 - 0 - 0.25566
25 - 0 - 0.25566
26 - 0 - 0.2565
27 - 0 - 0.39093
28 - 0 - 0.44288
29 - 0 - 0.52016
30 - 0 - 0.52016
31 - 0 - 0.59702
32 - 0 - 0.59702
33 - 0 - 0.62511
34 - 0 - 0.77264
35 - 0 - 0.78745
36 - 0 - 0.78745
37 - 0 - 0.81386
38 - 0 - 0.81386
39 - 0 - 0.83361
40 - 0 - 1.02575
41 - 0 - 1.02575
42 - 0 - 1.04067
43 - 0 - 1.05753
44 - 0 - 1.07932
45 - 0 - 1.07932
46 - 0 - 1.25629
47 - 0 - 1.42297
48 - 0 - 1.42297
49 - 0 - 1.50306
50 - 0 - 1.60403
51 - 0 - 1.60403
52 - 0 - 1.74995
53 - 0 - 2.02183
54 - 0 - 2.02183
55 - 0 - 2.25369
56 - 0 - 2.25369
57 - 0 - 2.46292
58 - 0 - 2.52034
59 - 0 - 2.678
60 - 0 - 2.75174
61 - 0 - 2.75174
62 - 0 - 3.01756
63 - 0 - 3.20313
64 - 0 - 3.20313
65 - 0 - 3.45409
66 - 0 - 3.45409
67 - 0 - 3.67346
68 - 0 - 3.88424
69 - 0 - 3.89424
70 - 0 - 3.89424
71 - 0 - 4.66824
72 - 0 - 4.66824
73 - 0 - 4.70082
74 - 0 - 5.01789
75 - 0 - 5.01789
76 - 0 - 5.13151
77 - 0 - 5.13151
78 - 0 - 5.57952
79 - 0 - 6.07818
80 - 0 - 6.71109
81 - 0 - 6.71109
82 - 0 - 6.97354
83 - 0 - 6.97354
84 - 0 - 7.23648
85 - 0 - 24.24728
86 - 0 - 35.70391
87 - 0 - 50.07154
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C -0.04037  
2 N 0.19712  
3 O -0.40010  
4 H 0.24335  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.998795464 - -10.118880167
2 C1 Val(2S) 0.937648342 - -0.216174783
3 C1 Ryd(4S) 0.002195156 - 0.730841055
4 C1 Ryd(3S) 0.000134318 - 0.445995698
5 C1 Ryd(5S) 0.000001297 - 22.146982137
6 C1 Val(2p) 1.015474764 - -0.151249540
7 C1 Ryd(3p) 0.003370565 - 0.395042566
8 C1 Ryd(4p) 0.000164278 - 1.149628943
9 C1 Ryd(5p) 0.000005936 - 1.765434126
10 C1 Val(2p) 1.015474764 - -0.151249540
11 C1 Ryd(3p) 0.003370565 - 0.395042566
12 C1 Ryd(4p) 0.000164278 - 1.149628943
13 C1 Ryd(5p) 0.000005936 - 1.765434126
14 C1 Val(2p) 1.056515562 - 0.003724752
15 C1 Ryd(3p) 0.002287327 - 0.958030729
16 C1 Ryd(4p) 0.000628958 - 1.582205129
17 C1 Ryd(5p) 0.000081879 - 1.609190208
18 C1 Ryd(4d) 0.000000000 - 2.481493547
19 C1 Ryd(3d) 0.000000000 - 1.415666737
20 C1 Ryd(4d) 0.001466642 - 2.685615409
21 C1 Ryd(3d) 0.000015699 - 2.070952541
22 C1 Ryd(4d) 0.001466642 - 2.685615409
23 C1 Ryd(3d) 0.000015699 - 2.070952541
24 C1 Ryd(4d) -0.000000000 - 2.481493523
25 C1 Ryd(3d) -0.000000000 - 1.415666730
26 C1 Ryd(4d) 0.000986461 - 3.745564763
27 C1 Ryd(3d) 0.000099379 - 2.730579704
28 N2 Cor(1S) 1.999004745 - -14.310337393
29 N2 Val(2S) 1.072370045 - -0.449193288
30 N2 Ryd(3S) 0.002775595 - 1.037331097
31 N2 Ryd(5S) 0.000011209 - 35.071640061
32 N2 Ryd(4S) 0.000010276 - 1.042907299
33 N2 Val(2p) 1.268955636 - -0.282692501
34 N2 Ryd(3p) 0.000376497 - 0.571690438
35 N2 Ryd(4p) 0.000221741 - 0.720029570
36 N2 Ryd(5p) 0.000008886 - 3.446054289
37 N2 Val(2p) 1.268955636 - -0.282692501
38 N2 Ryd(3p) 0.000376497 - 0.571690438
39 N2 Ryd(4p) 0.000221741 - 0.720029570
40 N2 Ryd(5p) 0.000008886 - 3.446054289
41 N2 Val(2p) 1.166989855 - -0.265440605
42 N2 Ryd(4p) 0.011010307 - 1.243163106
43 N2 Ryd(3p) 0.000317461 - 0.881301732
44 N2 Ryd(5p) 0.000134305 - 4.076443659
45 N2 Ryd(3d) 0.000000000 - 1.995520306
46 N2 Ryd(4d) 0.000000000 - 3.700808458
47 N2 Ryd(3d) 0.005007526 - 2.235228370
48 N2 Ryd(4d) 0.000014006 - 4.647416535
49 N2 Ryd(3d) 0.005007526 - 2.235228370
50 N2 Ryd(4d) 0.000014006 - 4.647416535
51 N2 Ryd(3d) 0.000000000 - 1.995520305
52 N2 Ryd(4d) 0.000000000 - 3.700808432
53 N2 Ryd(3d) 0.000715516 - 3.557044045
54 N2 Ryd(4d) 0.000369970 - 5.047528458
55 O3 Cor(1S) 1.999807446 - -18.970641928
56 O3 Val(2S) 1.737962777 - -0.880689067
57 O3 Ryd(4S) 0.004441714 - 1.864316431
58 O3 Ryd(3S) 0.000006154 - 1.259838310
59 O3 Ryd(5S) 0.000000399 - 49.635253069
60 O3 Val(2p) 1.696612369 - -0.295546391
61 O3 Ryd(3p) 0.004713094 - 0.583163322
62 O3 Ryd(5p) 0.000023583 - 3.574484749
63 O3 Ryd(4p) 0.000001967 - 2.149701381
64 O3 Val(2p) 1.696612369 - -0.295546391
65 O3 Ryd(3p) 0.004713094 - 0.583163322
66 O3 Ryd(5p) 0.000023583 - 3.574484749
67 O3 Ryd(4p) 0.000001967 - 2.149701381
68 O3 Val(2p) 1.244446633 - -0.267241194
69 O3 Ryd(3p) 0.002064032 - 0.645275811
70 O3 Ryd(5p) 0.000134840 - 3.821805258
71 O3 Ryd(4p) 0.000050338 - 2.458648779
72 O3 Ryd(3d) 0.000000000 - 1.782584572
73 O3 Ryd(4d) 0.000000000 - 6.433187858
74 O3 Ryd(3d) 0.003294629 - 2.045716221
75 O3 Ryd(4d) 0.000084665 - 6.809057171
76 O3 Ryd(3d) 0.003294629 - 2.045716221
77 O3 Ryd(4d) 0.000084665 - 6.809057171
78 O3 Ryd(3d) 0.000000000 - 1.782584580
79 O3 Ryd(4d) 0.000000000 - 6.433187787
80 O3 Ryd(3d) 0.001559470 - 2.855898262
81 O3 Ryd(4d) 0.000166638 - 7.107571429
82 H4 Val(1S) 0.755206035 - -0.022144826
83 H4 Ryd(3S) 0.000436114 - 1.519145026
84 H4 Ryd(2S) 0.000042816 - 0.915396978
85 H4 Ryd(2p) 0.000187518 - 1.687035936
86 H4 Ryd(2p) 0.000187518 - 1.687035936
87 H4 Ryd(2p) 0.000591166 - 2.787972269

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(N2) 1s(42.78%)p1.34(57.12%)d0.00(0.10%) 0.766877301 - 0.101764052
2 BD(1)N2(C1) 2s(58.48%)p0.71(41.49%)d0.00(0.03%) 1.247536431 - -0.364203236
3 BD(2)C1(N2) 1s(0.00%)p1.00(99.83%)d0.00(0.17%) 1.016776938 - -0.145831382
4 BD(2)N2(C1) 2s(0.00%)p1.00(99.90%)d0.00(0.10%) 1.268838707 - -0.281413561
5 BD(3)C1(N2) 1s(0.00%)p1.00(99.83%)d0.00(0.17%) 1.016776938 - -0.145831382
6 BD(3)N2(C1) 2s(0.00%)p1.00(99.90%)d0.00(0.10%) 1.268838707 - -0.281413561
7 BD(1)C1(H4) 1s(57.21%)p0.75(42.77%)d0.00(0.03%) 1.232376564 - -0.275866213
8 BD(1)H4(C1) 4s(99.93%)p0.00(0.07%) 0.755735859 - -0.018506957
9 BD(1)N2(O3) 2s(41.40%)p1.41(58.54%)d0.00(0.07%) 0.997509883 - -0.331562055
10 BD(1)O3(N2) 3s(25.20%)p2.96(74.65%)d0.01(0.15%) 1.009088857 - -0.326894897
11 CR(1)C1 s(100.00%)p0.00(0.00%) 1.998803366 - -10.119854569
12 CR(1)N2 s(100.00%)p0.00(0.00%) 1.999008468 - -14.310542108
13 CR(1)O3 s(100.00%)p0.00(0.00%) 1.999806546 - -18.971690932
14 LP(1)O3 s(75.10%)p0.33(24.90%)d0.00(0.01%) 1.981011091 - -0.798056054
15 LP(2)O3 s(0.00%)p1.00(99.81%)d0.00(0.19%) 1.700065256 - -0.296846290
16 LP(3)O3 s(0.00%)p1.00(99.81%)d0.00(0.19%) 1.700065256 - -0.296846290
17 RY*(1)C1 s(0.00%)p1.00(97.36%)d0.03(2.64%) 0.003720946 - 0.533663865
18 RY*(2)C1 s(0.00%)p1.00(97.36%)d0.03(2.64%) 0.003720946 - 0.533663865
19 RY*(3)C1 s(67.37%)p0.43(29.25%)d0.05(3.38%) 0.001096722 - 1.604143400
20 RY*(4)C1 s(27.62%)p1.72(47.65%)d0.90(24.73%) 0.000171216 - 1.399536158
21 RY*(5)C1 s(22.92%)p2.93(67.16%)d0.43(9.92%) 0.000045153 - 1.411018328
22 RY*(6)C1 s(0.00%)p1.00(100.00%) -0.000000000 - 1.781182168
23 RY*(7)C1 s(98.34%)p0.02(1.50%)d0.00(0.15%) 0.000000042 - 21.732036546
24 RY*(8)C1 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000000 - 1.058046310
25 RY*(9)C1 s(0.00%)p1.00(100.00%) -0.000000000 - 1.781182168
26 RY*(10)C1 s(40.05%)p0.61(24.54%)d0.88(35.41%) 0.000000791 - 1.789921217
27 RY*(11)C1 s(2.98%)p31.17(93.01%)d1.34(4.01%) 0.000000045 - 1.631223775
28 RY*(12)C1 s(0.00%)p1.00(100.00%)d0.00(0.00%) -0.000000000 - 1.058046310
29 RY*(13)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 2.481493547
30 RY*(14)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 1.415666737
31 RY*(15)C1 s(0.00%)p1.00(2.67%)d36.52(97.33%) -0.000000000 - 2.634047590
32 RY*(16)C1 s(0.00%)p1.00(0.14%)d99.99(99.86%) 0.000000000 - 2.054315494
33 RY*(17)C1 s(0.00%)p1.00(2.67%)d36.52(97.33%) -0.000000000 - 2.634047590
34 RY*(18)C1 s(0.00%)p1.00(0.14%)d99.99(99.86%) -0.000000000 - 2.054315494
35 RY*(19)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 - 2.481493523
36 RY*(20)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 - 1.415666730
37 RY*(21)C1 s(39.71%)p0.81(32.23%)d0.71(28.06%) 0.000000810 - 1.597449838
38 RY*(22)C1 s(1.02%)p4.67(4.76%)d92.43(94.22%) 0.000002136 - 2.746686693
39 RY*(1)N2 s(2.16%)p45.16(97.67%)d0.08(0.17%) 0.008344672 - 1.507386848
40 RY*(2)N2 s(0.00%)p1.00(6.65%)d14.04(93.35%) 0.005745584 - 2.006279324
41 RY*(3)N2 s(0.00%)p1.00(6.65%)d14.04(93.35%) 0.005745584 - 2.006279324
42 RY*(4)N2 s(83.25%)p0.16(12.90%)d0.05(3.85%) 0.001240715 - 1.376484792
43 RY*(5)N2 s(14.81%)p2.84(42.05%)d2.91(43.14%) 0.000050779 - 2.830350913
44 RY*(6)N2 s(0.00%)p1.00(99.85%)d0.00(0.15%) -0.000000000 - 3.452869739
45 RY*(7)N2 s(0.00%)p1.00(100.00%)d0.00(0.00%) -0.000000000 - 1.039846627
46 RY*(8)N2 s(0.00%)p1.00(93.59%)d0.07(6.41%) -0.000000000 - 0.386675729
47 RY*(9)N2 s(0.00%)p1.00(99.85%)d0.00(0.15%) 0.000000000 - 3.452869739
48 RY*(10)N2 s(97.13%)p0.00(0.30%)d0.03(2.57%) 0.000000817 - 33.686720007
49 RY*(11)N2 s(93.67%)p0.00(0.01%)d0.07(6.32%) 0.000000164 - 1.029169929
50 RY*(12)N2 s(4.98%)p19.06(94.95%)d0.01(0.07%) 0.000005137 - 4.268005949
51 RY*(13)N2 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 1.995520306
52 RY*(14)N2 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 3.700808458
53 RY*(15)N2 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000000 - 1.039846627
54 RY*(16)N2 s(0.00%)p1.00(0.02%)d99.99(99.98%) 0.000000000 - 4.733468843
55 RY*(17)N2 s(0.00%)p1.00(93.59%)d0.07(6.41%) -0.000000000 - 0.386675729
56 RY*(18)N2 s(0.00%)p1.00(0.02%)d99.99(99.98%) -0.000000000 - 4.733468843
57 RY*(19)N2 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 1.995520305
58 RY*(20)N2 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 3.700808432
59 RY*(21)N2 s(3.68%)p13.83(50.84%)d12.37(45.49%) 0.000008798 - 2.362559834
60 RY*(22)N2 s(0.44%)p2.85(1.26%)d99.99(98.30%) 0.000003419 - 4.878017297
61 RY*(1)O3 s(0.00%)p1.00(96.32%)d0.04(3.68%) 0.004665052 - 0.711470506
62 RY*(2)O3 s(0.00%)p1.00(96.32%)d0.04(3.68%) 0.004665052 - 0.711470506
63 RY*(3)O3 s(89.81%)p0.09(7.80%)d0.03(2.39%) 0.000610311 - 1.926384547
64 RY*(4)O3 s(2.13%)p38.41(81.98%)d7.44(15.89%) 0.000110204 - 1.282649212
65 RY*(5)O3 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000000 - 3.567411493
66 RY*(6)O3 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000000 - 2.136352375
67 RY*(7)O3 s(99.96%)p0.00(0.03%)d0.00(0.01%) 0.000000020 - 49.693530155
68 RY*(8)O3 s(0.00%)p1.00(100.00%)d0.00(0.00%) -0.000000000 - 3.567411493
69 RY*(9)O3 s(0.00%)p1.00(100.00%)d0.00(0.00%) -0.000000000 - 2.136352375
70 RY*(10)O3 s(99.95%)p0.00(0.04%)d0.00(0.02%) 0.000001434 - 1.253103858
71 RY*(11)O3 s(0.94%)p99.99(97.75%)d1.38(1.30%) 0.000001989 - 3.423646728
72 RY*(12)O3 s(5.83%)p16.09(93.83%)d0.06(0.34%) 0.000006552 - 2.623226606
73 RY*(13)O3 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 1.782584572
74 RY*(14)O3 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 6.433187858
75 RY*(15)O3 s(0.00%)p1.00(2.80%)d34.73(97.20%) 0.000000000 - 2.020077339
76 RY*(16)O3 s(0.00%)p1.00(1.07%)d92.39(98.93%) 0.000000000 - 6.728111031
77 RY*(17)O3 s(0.00%)p1.00(2.80%)d34.73(97.20%) -0.000000000 - 2.020077339
78 RY*(18)O3 s(0.00%)p1.00(1.07%)d92.39(98.93%) -0.000000000 - 6.728111031
79 RY*(19)O3 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 1.782584580
80 RY*(20)O3 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 6.433187787
81 RY*(21)O3 s(0.62%)p30.64(19.00%)d99.99(80.38%) 0.000003284 - 2.356780563
82 RY*(22)O3 s(0.46%)p0.07(0.03%)d99.99(99.51%) 0.000000152 - 7.067355373
83 RY*(1)H4 s(96.78%)p0.03(3.22%) 0.000451484 - 1.571897087
84 RY*(2)H4 s(0.00%)p1.00(100.00%) 0.000187518 - 1.687035936
85 RY*(3)H4 s(0.00%)p1.00(100.00%) 0.000187518 - 1.687035936
86 RY*(4)H4 s(45.78%)p1.18(54.22%) 0.000057005 - 1.833891622
87 RY*(5)H4 s(57.51%)p0.74(42.49%) 0.000031783 - 1.813087694

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-N2 175, 176 1.993763211 - -1.107044598
2 BD(2)C1-N2 177, 178 1.995253868 - -0.429200398
3 BD(3)C1-N2 179, 180 1.995253868 - -0.429200398
4 BD(1)C1-H4 181, 182 1.985392403 - -0.650109781
5 BD(1)N2-O3 183, 184 1.997429335 - -1.137709810
6 CR(1)C1 185 1.998803366 - -10.119854569
7 CR(1)N2 186 1.999008468 - -14.310542108
8 CR(1)O3 187 1.999806545 - -18.971690922
9 LP(1)O3 188 1.981011090 - -0.798056054
10 LP(2)O3 189 1.700065256 - -0.296846290
11 LP(3)O3 190 1.700065256 - -0.296846290
12 RY*(1)C1 191 0.003720946 - 0.533663865
13 RY*(2)C1 192 0.003720946 - 0.533663865
14 RY*(3)C1 193 0.001096722 - 1.604143400
15 RY*(4)C1 194 0.000171216 - 1.399536158
16 RY*(5)C1 195 0.000045153 - 1.411018328
17 RY*(6)C1 196 -0.000000000 - 1.781182168
18 RY*(7)C1 197 0.000000042 - 21.732036546
19 RY*(8)C1 198 0.000000000 - 1.058046310
20 RY*(9)C1 199 -0.000000000 - 1.781182168
21 RY*(10)C1 200 0.000000791 - 1.789921217
22 RY*(11)C1 201 0.000000045 - 1.631223775
23 RY*(12)C1 202 -0.000000000 - 1.058046310
24 RY*(13)C1 203 0.000000000 - 2.481493547
25 RY*(14)C1 204 0.000000000 - 1.415666737
26 RY*(15)C1 205 -0.000000000 - 2.634047590
27 RY*(16)C1 206 0.000000000 - 2.054315494
28 RY*(17)C1 207 -0.000000000 - 2.634047590
29 RY*(18)C1 208 -0.000000000 - 2.054315494
30 RY*(19)C1 209 -0.000000000 - 2.481493523
31 RY*(20)C1 210 -0.000000000 - 1.415666730
32 RY*(21)C1 211 0.000000810 - 1.597449838
33 RY*(22)C1 212 0.000002136 - 2.746686693
34 RY*(1)N2 213 0.008344672 - 1.507386848
35 RY*(2)N2 214 0.005745584 - 2.006279324
36 RY*(3)N2 215 0.005745584 - 2.006279324
37 RY*(4)N2 216 0.001240715 - 1.376484792
38 RY*(5)N2 217 0.000050779 - 2.830350913
39 RY*(6)N2 218 -0.000000000 - 3.452869739
40 RY*(7)N2 219 -0.000000000 - 1.039846627
41 RY*(8)N2 220 -0.000000000 - 0.386675729
42 RY*(9)N2 221 0.000000000 - 3.452869739
43 RY*(10)N2 222 0.000000817 - 33.686720007
44 RY*(11)N2 223 0.000000164 - 1.029169929
45 RY*(12)N2 224 0.000005137 - 4.268005949
46 RY*(13)N2 225 0.000000000 - 1.995520306
47 RY*(14)N2 226 0.000000000 - 3.700808458
48 RY*(15)N2 227 0.000000000 - 1.039846627
49 RY*(16)N2 228 -0.000000000 - 4.733468843
50 RY*(17)N2 229 -0.000000000 - 0.386675729
51 RY*(18)N2 230 -0.000000000 - 4.733468843
52 RY*(19)N2 231 0.000000000 - 1.995520305
53 RY*(20)N2 232 0.000000000 - 3.700808432
54 RY*(21)N2 233 0.000008798 - 2.362559834
55 RY*(22)N2 234 0.000003419 - 4.878017297
56 RY*(1)O3 235 0.004665052 - 0.711470506
57 RY*(2)O3 236 0.004665052 - 0.711470506
58 RY*(3)O3 237 0.000610311 - 1.926384547
59 RY*(4)O3 238 0.000110204 - 1.282649212
60 RY*(5)O3 239 0.000000000 - 3.567411493
61 RY*(6)O3 240 0.000000000 - 2.136352375
62 RY*(7)O3 241 0.000000020 - 49.693530155
63 RY*(8)O3 242 -0.000000000 - 3.567411493
64 RY*(9)O3 243 -0.000000000 - 2.136352375
65 RY*(10)O3 244 0.000001434 - 1.253103858
66 RY*(11)O3 245 0.000001989 - 3.423646728
67 RY*(12)O3 246 0.000006552 - 2.623226606
68 RY*(13)O3 247 0.000000000 - 1.782584572
69 RY*(14)O3 248 0.000000000 - 6.433187858
70 RY*(15)O3 249 0.000000000 - 2.020077339
71 RY*(16)O3 250 0.000000000 - 6.728111031
72 RY*(17)O3 251 -0.000000000 - 2.020077339
73 RY*(18)O3 252 -0.000000000 - 6.728111031
74 RY*(19)O3 253 0.000000000 - 1.782584580
75 RY*(20)O3 254 0.000000000 - 6.433187787
76 RY*(21)O3 255 0.000003284 - 2.356780563
77 RY*(22)O3 256 0.000000152 - 7.067355373
78 RY*(1)H4 257 0.000451484 - 1.571897087
79 RY*(2)H4 258 0.000187518 - 1.687035936
80 RY*(3)H4 259 0.000187518 - 1.687035936
81 RY*(4)H4 260 0.000057005 - 1.833891622
82 RY*(5)H4 261 0.000031783 - 1.813087694
83 BD*(1)C1-N2 0.020650520 - 0.844605415
84 BD*(2)C1-N2 0.290361777 - 0.001955455
85 BD*(3)C1-N2 0.290361777 - 0.001955455
86 BD*(1)C1-H4 0.002720019 - 0.355736612
87 BD*(1)N2-O3 0.009169405 - 0.479252858

Quote

IF GOD HAD MEANT MAN TO SEE THE SUN RISE, HE WOULD HAVE SCHEDULED IT FOR A LATER HOUR.