WebMO Job Summary

385490: CH2O2 formaldehyde-O-oxide, 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 CH2O2
Symmetry CS
Basis 6-311+G(2d,p)
RB3LYP Energy -189.649185596 Hartree
Dipole Moment 4.3937 Debye
Server class (387073)
CPU time 77.6 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 80.8100655 2.69553363814
b 12.3984483 0.41356771891
c 10.7492264 0.35855559782

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 0.15759  
2 O -0.08914  
3 O -0.41832  
4 H 0.17608  
5 H 0.17379  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.999510983 - -10.181552690
2 C1 Val(2S) 1.059498056 - -0.329387963
3 C1 Ryd(3S) 0.006614705 - 0.527730306
4 C1 Ryd(4S) 0.000306728 - 1.335519256
5 C1 Ryd(5S) 0.000002741 - 22.126493525
6 C1 Val(2p) 0.863545066 - -0.107311628
7 C1 Ryd(4p) 0.009221982 - 0.670825555
8 C1 Ryd(5p) 0.000175834 - 2.331289826
9 C1 Ryd(3p) 0.000236400 - 0.613869398
10 C1 Val(2p) 1.055331658 - -0.116583927
11 C1 Ryd(4p) 0.003869208 - 0.836210786
12 C1 Ryd(5p) 0.000322588 - 2.473006814
13 C1 Ryd(3p) 0.000155946 - 0.537035355
14 C1 Val(2p) 0.833227140 - -0.197031839
15 C1 Ryd(3p) 0.005710837 - 0.482380588
16 C1 Ryd(5p) 0.000330218 - 2.128134154
17 C1 Ryd(4p) 0.000033053 - 0.626322497
18 C1 Ryd(4d) 0.001231571 - 3.278479981
19 C1 Ryd(3d) 0.000048415 - 2.372167697
20 C1 Ryd(4d) 0.000614292 - 2.690014054
21 C1 Ryd(3d) 0.000142358 - 1.716753809
22 C1 Ryd(4d) 0.000378712 - 2.597480674
23 C1 Ryd(3d) 0.000147646 - 1.576100102
24 C1 Ryd(4d) 0.001174726 - 3.213559580
25 C1 Ryd(3d) 0.000085146 - 2.270263190
26 C1 Ryd(4d) 0.000384105 - 2.863899762
27 C1 Ryd(3d) 0.000109368 - 2.105820029
28 O2 Cor(1S) 1.999608982 - -19.110063289
29 O2 Val(2S) 1.597530928 - -0.959284082
30 O2 Ryd(3S) 0.005429646 - 0.910606657
31 O2 Ryd(4S) 0.000109611 - 1.898741109
32 O2 Ryd(5S) 0.000000176 - 48.982544087
33 O2 Val(2p) 1.284693742 - -0.396517916
34 O2 Ryd(4p) 0.004885068 - 1.013350583
35 O2 Ryd(3p) 0.000418025 - 0.762435948
36 O2 Ryd(5p) 0.000058886 - 5.291828766
37 O2 Val(2p) 1.706449923 - -0.419738623
38 O2 Ryd(4p) 0.003966216 - 0.768712178
39 O2 Ryd(3p) 0.000187124 - 0.686960558
40 O2 Ryd(5p) 0.000082514 - 4.990243955
41 O2 Val(2p) 1.465249543 - -0.393798417
42 O2 Ryd(3p) 0.000290478 - 0.608356840
43 O2 Ryd(4p) 0.000005792 - 0.659579929
44 O2 Ryd(5p) 0.000000689 - 4.807406533
45 O2 Ryd(3d) 0.006723174 - 2.112124296
46 O2 Ryd(4d) 0.000043552 - 7.056833242
47 O2 Ryd(3d) 0.002921401 - 1.465610836
48 O2 Ryd(4d) 0.000013417 - 6.674894390
49 O2 Ryd(3d) 0.003202223 - 1.442176377
50 O2 Ryd(4d) 0.000022283 - 6.606102719
51 O2 Ryd(3d) 0.003606173 - 1.686088707
52 O2 Ryd(4d) 0.000103322 - 6.857992162
53 O2 Ryd(3d) 0.003523954 - 1.693075581
54 O2 Ryd(4d) 0.000015865 - 6.755202731
55 O3 Cor(1S) 1.999927143 - -19.001903438
56 O3 Val(2S) 1.877595325 - -0.900729033
57 O3 Ryd(3S) 0.004857306 - 1.078468542
58 O3 Ryd(4S) 0.000569167 - 1.079095358
59 O3 Ryd(5S) 0.000000082 - 49.618321133
60 O3 Val(2p) 1.123185557 - -0.222431611
61 O3 Ryd(3p) 0.004585121 - 0.736284924
62 O3 Ryd(4p) 0.000208948 - 0.775666666
63 O3 Ryd(5p) 0.000014277 - 5.099611670
64 O3 Val(2p) 1.714501855 - -0.257847593
65 O3 Ryd(3p) 0.002945610 - 0.666380576
66 O3 Ryd(4p) 0.000218807 - 0.851022723
67 O3 Ryd(5p) 0.000006010 - 4.901140813
68 O3 Val(2p) 1.684546211 - -0.266483996
69 O3 Ryd(3p) 0.001598113 - 0.611301975
70 O3 Ryd(4p) 0.000102852 - 0.821458063
71 O3 Ryd(5p) 0.000001121 - 4.805718899
72 O3 Ryd(3d) 0.001094278 - 2.521387103
73 O3 Ryd(4d) 0.000019569 - 6.746546946
74 O3 Ryd(3d) 0.000878135 - 2.300171351
75 O3 Ryd(4d) 0.000003066 - 6.438568184
76 O3 Ryd(3d) 0.000190825 - 2.178547993
77 O3 Ryd(4d) 0.000000338 - 6.265222149
78 O3 Ryd(3d) 0.000883327 - 2.479883830
79 O3 Ryd(4d) 0.000018264 - 6.688168429
80 O3 Ryd(3d) 0.000360330 - 2.268894747
81 O3 Ryd(4d) 0.000009864 - 6.415623555
82 H4 Val(1S) 0.819846227 - -0.054999595
83 H4 Ryd(2S) 0.003062797 - 0.630472482
84 H4 Ryd(3S) 0.000047402 - 1.936017525
85 H4 Ryd(2p) 0.000087703 - 1.878645267
86 H4 Ryd(2p) 0.000771936 - 2.692476172
87 H4 Ryd(2p) 0.000102047 - 1.610450181
88 H5 Val(1S) 0.824289936 - -0.063355178
89 H5 Ryd(2S) 0.000756731 - 0.513601212
90 H5 Ryd(3S) 0.000070247 - 2.055322863
91 H5 Ryd(2p) 0.000497817 - 2.554217891
92 H5 Ryd(2p) 0.000306258 - 2.029060895
93 H5 Ryd(2p) 0.000287211 - 1.604840705

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(O2) 1s(29.19%)p2.42(70.65%)d0.01(0.16%) 0.627119399 - -0.043929824
2 BD(1)O2(C1) 2s(39.09%)p1.55(60.49%)d0.01(0.42%) 1.383774760 - -0.622913600
3 BD(2)C1(O2) 1s(0.00%)p1.00(99.84%)d0.00(0.16%) 0.836861489 - -0.198520147
4 BD(2)O2(C1) 2s(0.00%)p1.00(99.74%)d0.00(0.26%) 1.468608152 - -0.396016596
5 BD(1)C1(H4) 1s(36.24%)p1.76(63.71%)d0.00(0.05%) 1.192602010 - -0.234457654
6 BD(1)H4(C1) 4s(99.92%)p0.00(0.08%) 0.820519049 - -0.050299742
7 BD(1)C1(H5) 1s(34.84%)p1.87(65.10%)d0.00(0.05%) 1.170715222 - -0.224810627
8 BD(1)H5(C1) 5s(99.92%)p0.00(0.08%) 0.824964928 - -0.060502833
9 BD(1)O2(O3) 2s(21.95%)p3.55(77.82%)d0.01(0.24%) 1.251392616 - -0.495062502
10 BD(1)O3(O2) 3s(9.70%)p9.29(90.12%)d0.02(0.18%) 0.756105512 - -0.218040796
11 CR(1)C1 s(100.00%)p0.00(0.00%) 1.999508757 - -10.181753749
12 CR(1)O2 s(100.00%)p0.00(0.00%) 1.999608728 - -19.110351277
13 CR(1)O3 s(100.00%) 1.999926940 - -19.002156146
14 LP(1)O2 s(39.04%)p1.56(60.85%)d0.00(0.12%) 1.973515230 - -0.651865725
15 LP(1)O3 s(79.20%)p0.26(20.80%)d0.00(0.01%) 1.992907296 - -0.790567498
16 LP(2)O3 s(11.60%)p7.62(88.37%)d0.00(0.03%) 1.978628178 - -0.348062098
17 LP(3)O3 s(0.00%)p1.00(99.95%)d0.00(0.05%) 1.685704436 - -0.267153026
18 RY*(1)C1 s(37.30%)p1.54(57.54%)d0.14(5.16%) 0.009034621 - 0.846019399
19 RY*(2)C1 s(0.00%)p1.00(82.06%)d0.22(17.94%) 0.003722767 - 0.687470181
20 RY*(3)C1 s(3.56%)p23.89(85.06%)d3.19(11.38%) 0.002278773 - 1.260957287
21 RY*(4)C1 s(0.89%)p44.00(39.11%)d67.50(60.00%) 0.000412131 - 1.397355271
22 RY*(5)C1 s(49.86%)p0.66(32.83%)d0.35(17.31%) 0.000084083 - 1.707369147
23 RY*(6)C1 s(35.80%)p1.67(59.82%)d0.12(4.39%) 0.000066125 - 0.517859446
24 RY*(7)C1 s(98.65%)p0.01(1.12%)d0.00(0.24%) 0.000000013 - 22.089684835
25 RY*(8)C1 s(0.31%)p99.99(99.41%)d0.90(0.28%) 0.000000127 - 2.216572647
26 RY*(9)C1 s(2.18%)p29.34(63.89%)d15.58(33.93%) 0.000000678 - 1.454958381
27 RY*(10)C1 s(8.07%)p6.86(55.38%)d4.53(36.55%) 0.000000025 - 2.736105033
28 RY*(11)C1 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000000 - 2.233087697
29 RY*(12)C1 s(0.00%)p1.00(100.00%)d0.00(0.00%) -0.000000000 - 0.602530560
30 RY*(13)C1 s(5.57%)p1.64(9.14%)d15.32(85.29%) 0.000001642 - 2.768749109
31 RY*(14)C1 s(2.14%)p0.26(0.55%)d45.51(97.31%) 0.000000045 - 2.484570348
32 RY*(15)C1 s(0.00%)p1.00(13.03%)d6.67(86.97%) -0.000000000 - 2.372225167
33 RY*(16)C1 s(0.00%)p1.00(3.54%)d27.28(96.46%) -0.000000000 - 1.804394785
34 RY*(17)C1 s(0.00%)p1.00(1.35%)d72.97(98.65%) 0.000000000 - 2.551192022
35 RY*(18)C1 s(0.00%)p1.00(0.18%)d99.99(99.82%) -0.000000000 - 1.567773776
36 RY*(19)C1 s(28.10%)p1.72(48.45%)d0.83(23.44%) 0.000000473 - 0.912473436
37 RY*(20)C1 s(1.85%)p1.49(2.77%)d51.48(95.38%) 0.000000001 - 2.561688293
38 RY*(21)C1 s(8.18%)p4.36(35.66%)d6.86(56.16%) 0.000000010 - 2.366218890
39 RY*(22)C1 s(17.27%)p0.57(9.80%)d4.22(72.92%) 0.000001090 - 2.185705183
40 RY*(1)O2 s(26.30%)p1.34(35.22%)d1.46(38.49%) 0.005130792 - 0.967922867
41 RY*(2)O2 s(0.00%)p1.00(7.98%)d11.53(92.02%) 0.003097674 - 1.501477373
42 RY*(3)O2 s(0.03%)p99.99(57.23%)d99.99(42.74%) 0.002425877 - 1.523402077
43 RY*(4)O2 s(6.21%)p14.55(90.36%)d0.55(3.44%) 0.001061687 - 1.102176547
44 RY*(5)O2 s(38.27%)p0.57(21.66%)d1.05(40.07%) 0.000454343 - 1.303860874
45 RY*(6)O2 s(3.40%)p7.02(23.91%)d21.35(72.68%) 0.000046206 - 1.696950932
46 RY*(7)O2 s(20.83%)p1.14(23.71%)d2.66(55.46%) 0.000017403 - 1.508346467
47 RY*(8)O2 s(18.02%)p4.08(73.45%)d0.47(8.53%) 0.000000402 - 0.873221450
48 RY*(9)O2 s(0.79%)p99.99(95.94%)d4.11(3.27%) 0.000002571 - 4.748250201
49 RY*(10)O2 s(0.00%)p1.00(90.98%)d0.10(9.02%) -0.000000000 - 0.687482878
50 RY*(11)O2 s(0.00%)p1.00(99.92%)d0.00(0.08%) 0.000000000 - 0.653689679
51 RY*(12)O2 s(0.00%)p1.00(99.98%)d0.00(0.02%) -0.000000000 - 4.808403911
52 RY*(13)O2 s(82.95%)p0.04(3.17%)d0.17(13.89%) 0.000005248 - 2.258551348
53 RY*(14)O2 s(0.02%)p99.99(1.70%)d99.99(98.28%) 0.000000050 - 6.912060546
54 RY*(15)O2 s(1.27%)p58.02(73.72%)d19.68(25.00%) 0.000000779 - 0.933885445
55 RY*(16)O2 s(0.00%)p1.00(0.05%)d99.99(99.95%) 0.000000000 - 6.579904975
56 RY*(17)O2 s(0.00%)p1.00(1.29%)d76.31(98.71%) -0.000000000 - 1.433105051
57 RY*(18)O2 s(0.00%)p1.00(0.05%)d99.99(99.95%) -0.000000000 - 6.602281936
58 RY*(19)O2 s(0.90%)p99.99(97.79%)d1.47(1.32%) 0.000000012 - 5.288389313
59 RY*(20)O2 s(0.92%)p1.97(1.80%)d99.99(97.28%) 0.000000168 - 6.705728071
60 RY*(21)O2 s(99.96%)p0.00(0.01%)d0.00(0.02%) 0.000000001 - 48.955317712
61 RY*(22)O2 s(0.06%)p18.71(1.18%)d99.99(98.76%) 0.000000006 - 6.683265906
62 RY*(1)O3 s(26.32%)p2.43(63.99%)d0.37(9.69%) 0.002767524 - 0.950897811
63 RY*(2)O3 s(0.00%)p1.00(83.26%)d0.20(16.74%) 0.001616224 - 0.995237500
64 RY*(3)O3 s(51.00%)p0.85(43.55%)d0.11(5.46%) 0.000511311 - 0.823015770
65 RY*(4)O3 s(22.69%)p2.60(58.90%)d0.81(18.42%) 0.000123740 - 1.395905770
66 RY*(5)O3 s(12.90%)p6.62(85.32%)d0.14(1.79%) 0.000004809 - 0.771593928
67 RY*(6)O3 s(0.35%)p99.99(99.50%)d0.43(0.15%) 0.000001482 - 5.066984674
68 RY*(7)O3 s(2.49%)p1.04(2.58%)d38.16(94.93%) 0.000010553 - 2.393013888
69 RY*(8)O3 s(1.68%)p58.42(98.01%)d0.18(0.31%) 0.000001926 - 0.575286926
70 RY*(9)O3 s(0.86%)p99.99(99.03%)d0.13(0.11%) 0.000000681 - 4.869056270
71 RY*(10)O3 s(53.91%)p0.69(37.28%)d0.16(8.81%) 0.000001161 - 1.176924001
72 RY*(11)O3 s(0.00%)p1.00(100.00%)d0.00(0.00%) -0.000000000 - 0.638614751
73 RY*(12)O3 s(0.00%)p1.00(99.99%)d0.00(0.01%) -0.000000000 - 4.811318443
74 RY*(13)O3 s(99.99%)p0.00(0.01%)d0.00(0.01%) 0.000000004 - 49.585718976
75 RY*(14)O3 s(3.48%)p0.49(1.72%)d27.23(94.80%) 0.000001480 - 6.488285977
76 RY*(15)O3 s(0.00%)p1.00(14.11%)d6.09(85.89%) -0.000000000 - 2.124394038
77 RY*(16)O3 s(0.00%)p1.00(0.02%)d99.99(99.98%) -0.000000000 - 6.450968371
78 RY*(17)O3 s(0.00%)p1.00(2.67%)d36.49(97.33%) -0.000000000 - 2.136639097
79 RY*(18)O3 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 - 6.264485443
80 RY*(19)O3 s(20.01%)p0.23(4.68%)d3.76(75.30%) 0.000004797 - 2.363534731
81 RY*(20)O3 s(0.58%)p0.51(0.30%)d99.99(99.12%) 0.000001303 - 6.710001851
82 RY*(21)O3 s(3.09%)p1.71(5.28%)d29.68(91.63%) 0.000001179 - 2.276005820
83 RY*(22)O3 s(0.16%)p3.56(0.58%)d99.99(99.25%) 0.000000966 - 6.456185484
84 RY*(1)H4 s(99.70%)p0.00(0.30%) 0.003103194 - 0.628678580
85 RY*(2)H4 s(0.05%)p99.99(99.95%) 0.000110180 - 2.127703733
86 RY*(3)H4 s(0.00%)p1.00(100.00%) 0.000102047 - 1.610450181
87 RY*(4)H4 s(95.20%)p0.05(4.80%) 0.000048066 - 2.047383774
88 RY*(5)H4 s(5.13%)p18.48(94.87%) 0.000035576 - 2.329145505
89 RY*(1)H5 s(98.96%)p0.01(1.04%) 0.000767355 - 0.537118510
90 RY*(2)H5 s(0.00%)p1.00(100.00%) 0.000287211 - 1.604840705
91 RY*(3)H5 s(4.16%)p23.05(95.84%) 0.000110353 - 2.252962106
92 RY*(4)H5 s(95.38%)p0.05(4.62%) 0.000068965 - 1.983346930
93 RY*(5)H5 s(1.58%)p62.12(98.42%) 0.000009388 - 2.375922970

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-O2 3028, 3029 1.998446356 - -1.106004223
2 BD(2)C1-O2 3030, 3031 1.998213885 - -0.481224117
3 BD(1)C1-H4 3032, 3033 1.994933516 - -0.616209880
4 BD(1)C1-H5 3034, 3035 1.982327929 - -0.615680603
5 BD(1)O2-O3 3036, 3037 1.989725330 - -0.885881359
6 CR(1)C1 3038 1.999508757 - -10.181753749
7 CR(1)O2 3039 1.999608728 - -19.110351277
8 CR(1)O3 3040 1.999926940 - -19.002156146
9 LP(1)O2 3041 1.973515230 - -0.651865725
10 LP(1)O3 3042 1.992907295 - -0.790567498
11 LP(2)O3 3043 1.978628178 - -0.348062098
12 LP(3)O3 3044 1.685704436 - -0.267153026
13 RY*(1)C1 3045 0.009034621 - 0.846019399
14 RY*(2)C1 3046 0.003722767 - 0.687470181
15 RY*(3)C1 3047 0.002278773 - 1.260957287
16 RY*(4)C1 3048 0.000412131 - 1.397355271
17 RY*(5)C1 3049 0.000084083 - 1.707369147
18 RY*(6)C1 3050 0.000066125 - 0.517859446
19 RY*(7)C1 3051 0.000000013 - 22.089684835
20 RY*(8)C1 3052 0.000000127 - 2.216572647
21 RY*(9)C1 3053 0.000000678 - 1.454958381
22 RY*(10)C1 3054 0.000000025 - 2.736105033
23 RY*(11)C1 3055 0.000000000 - 2.233087697
24 RY*(12)C1 3056 -0.000000000 - 0.602530560
25 RY*(13)C1 3057 0.000001642 - 2.768749109
26 RY*(14)C1 3058 0.000000045 - 2.484570348
27 RY*(15)C1 3059 -0.000000000 - 2.372225167
28 RY*(16)C1 3060 -0.000000000 - 1.804394785
29 RY*(17)C1 3061 -0.000000000 - 2.551192022
30 RY*(18)C1 3062 -0.000000000 - 1.567773776
31 RY*(19)C1 3063 0.000000473 - 0.912473436
32 RY*(20)C1 3064 0.000000001 - 2.561688293
33 RY*(21)C1 3065 0.000000010 - 2.366218890
34 RY*(22)C1 3066 0.000001090 - 2.185705183
35 RY*(1)O2 3067 0.005130792 - 0.967922867
36 RY*(2)O2 3068 0.003097674 - 1.501477373
37 RY*(3)O2 3069 0.002425877 - 1.523402077
38 RY*(4)O2 3070 0.001061687 - 1.102176547
39 RY*(5)O2 3071 0.000454343 - 1.303860874
40 RY*(6)O2 3072 0.000046206 - 1.696950932
41 RY*(7)O2 3073 0.000017403 - 1.508346467
42 RY*(8)O2 3074 0.000000402 - 0.873221450
43 RY*(9)O2 3075 0.000002571 - 4.748250201
44 RY*(10)O2 3076 -0.000000000 - 0.687482878
45 RY*(11)O2 3077 0.000000000 - 0.653689679
46 RY*(12)O2 3078 -0.000000000 - 4.808403911
47 RY*(13)O2 3079 0.000005248 - 2.258551348
48 RY*(14)O2 3080 0.000000050 - 6.912060546
49 RY*(15)O2 3081 0.000000779 - 0.933885445
50 RY*(16)O2 3082 0.000000000 - 6.579904975
51 RY*(17)O2 3083 -0.000000000 - 1.433105051
52 RY*(18)O2 3084 -0.000000000 - 6.602281936
53 RY*(19)O2 3085 0.000000012 - 5.288389313
54 RY*(20)O2 3086 0.000000168 - 6.705728071
55 RY*(21)O2 3087 0.000000001 - 48.955317712
56 RY*(22)O2 3088 0.000000006 - 6.683265906
57 RY*(1)O3 3089 0.002767524 - 0.950897811
58 RY*(2)O3 3090 0.001616224 - 0.995237500
59 RY*(3)O3 3091 0.000511311 - 0.823015770
60 RY*(4)O3 3092 0.000123740 - 1.395905770
61 RY*(5)O3 3093 0.000004809 - 0.771593928
62 RY*(6)O3 3094 0.000001482 - 5.066984674
63 RY*(7)O3 3095 0.000010553 - 2.393013888
64 RY*(8)O3 3096 0.000001926 - 0.575286926
65 RY*(9)O3 3097 0.000000681 - 4.869056270
66 RY*(10)O3 3098 0.000001161 - 1.176924001
67 RY*(11)O3 3099 -0.000000000 - 0.638614751
68 RY*(12)O3 3100 -0.000000000 - 4.811318443
69 RY*(13)O3 3101 0.000000004 - 49.585718976
70 RY*(14)O3 3102 0.000001480 - 6.488285977
71 RY*(15)O3 3103 -0.000000000 - 2.124394038
72 RY*(16)O3 3104 -0.000000000 - 6.450968371
73 RY*(17)O3 3105 -0.000000000 - 2.136639097
74 RY*(18)O3 3106 0.000000000 - 6.264485443
75 RY*(19)O3 3107 0.000004797 - 2.363534731
76 RY*(20)O3 3108 0.000001303 - 6.710001851
77 RY*(21)O3 3109 0.000001179 - 2.276005820
78 RY*(22)O3 3110 0.000000966 - 6.456185484
79 RY*(1)H4 3111 0.003103194 - 0.628678580
80 RY*(2)H4 3112 0.000110180 - 2.127703733
81 RY*(3)H4 3113 0.000102047 - 1.610450181
82 RY*(4)H4 3114 0.000048066 - 2.047383774
83 RY*(5)H4 3115 0.000035576 - 2.329145505
84 RY*(1)H5 3116 0.000767355 - 0.537118510
85 RY*(2)H5 3117 0.000287211 - 1.604840705
86 RY*(3)H5 3118 0.000110353 - 2.252962106
87 RY*(4)H5 3119 0.000068965 - 1.983346930
88 RY*(5)H5 3120 0.000009388 - 2.375922970
89 BD*(1)C1-O2 0.012447802 - 0.439160799
90 BD*(2)C1-O2 0.307255756 - -0.113312627
91 BD*(1)C1-H4 0.018187542 - 0.331452484
92 BD*(1)C1-H5 0.013352221 - 0.330367143
93 BD*(1)O2-O3 0.017772797 - 0.172778061

Quote

I WANT IT ALL - RICH, THIN, AND CHOCOLATE.