WebMO Job Summary

344172: OCl2, 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 Cl2O
Symmetry C2V
Basis 6-311+G(2d,p)
RB3LYP Energy -995.570258074 Hartree
Dipole Moment 0.6567 Debye
Server class (345580)
CPU time 75 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 42.1164466 1.40485344031
b 3.5050558 0.11691607665
c 3.2357657 0.10793352580

Partial Charges

Atom Symbol Charge
1 O -0.084939  
2 Cl 0.042470  
3 Cl 0.042470  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 B2 2 - -101.62057
2 A1 2 - -101.62057
3 A1 2 - -19.26777
4 B2 2 - -9.53076
5 A1 2 - -9.53074
6 B2 2 - -7.29996
7 A1 2 - -7.29996
8 A1 2 - -7.28388
9 B2 2 - -7.28388
10 B1 2 - -7.28307
11 A2 2 - -7.28307
12 A1 2 - -1.10773
13 B2 2 - -0.87484
14 A1 2 - -0.77938
15 B2 2 - -0.53593
16 A1 2 - -0.48926
17 B1 2 - -0.46642
18 A2 2 - -0.35865
19 A1 2 - -0.3546
20 B2 2 - -0.34492
21 B1 2 - -0.30067
22 A1 0 - -0.15064
23 B2 0 - -0.08189
24 A1 0 - 0.01573
25 B2 0 - 0.04437
26 A1 0 - 0.05864
27 B1 0 - 0.05939
28 A2 0 - 0.0899
29 B2 0 - 0.09041
30 A1 0 - 0.09317
31 B2 0 - 0.13156
32 A1 0 - 0.17807
33 B1 0 - 0.19292
34 B2 0 - 0.26553
35 A1 0 - 0.27142
36 A1 0 - 0.34748
37 B2 0 - 0.37828
38 B1 0 - 0.3853
39 A2 0 - 0.3958
40 A1 0 - 0.40842
41 B1 0 - 0.42518
42 A2 0 - 0.433
43 B2 0 - 0.4333
44 A1 0 - 0.45228
45 B2 0 - 0.45555
46 A1 0 - 0.45854
47 B1 0 - 0.49265
48 A2 0 - 0.49357
49 B2 0 - 0.60638
50 A1 0 - 0.61374
51 B2 0 - 0.61939
52 A1 0 - 0.97666
53 B2 0 - 1.04455
54 B1 0 - 1.05112
55 A1 0 - 1.06042
56 B2 0 - 1.14268
57 A1 0 - 1.45318
58 B1 0 - 1.50138
59 A2 0 - 1.5405
60 A1 0 - 1.55176
61 A1 0 - 1.88499
62 B2 0 - 1.97718
63 B1 0 - 2.20441
64 B2 0 - 2.21525
65 A2 0 - 2.22979
66 A1 0 - 2.24912
67 A1 0 - 2.29191
68 B1 0 - 2.29961
69 B2 0 - 2.31936
70 A2 0 - 2.32927
71 A2 0 - 2.38992
72 A1 0 - 2.39038
73 B1 0 - 2.41706
74 A1 0 - 2.43784
75 B2 0 - 2.45251
76 B2 0 - 2.49456
77 B2 0 - 2.64543
78 A1 0 - 2.77359
79 B1 0 - 4.88848
80 A1 0 - 4.89495
81 B2 0 - 4.995
82 B1 0 - 6.67606
83 A2 0 - 6.71069
84 A1 0 - 6.73375
85 A1 0 - 6.88661
86 B2 0 - 7.07756
87 A1 0 - 9.58873
88 B2 0 - 9.66669
89 B1 0 - 25.73505
90 B2 0 - 25.77851
91 A2 0 - 25.78166
92 A1 0 - 25.80908
93 B2 0 - 26.33642
94 A1 0 - 26.6261
95 A1 0 - 49.75268
96 A1 0 - 215.55698
97 B2 0 - 215.61975
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 O -0.51370  
2 Cl 0.25685  
3 Cl 0.25685  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 O1 Cor(1S) 1.999948965 - -19.171756080
2 O1 Val(2S) 1.863089156 - -1.017132627
3 O1 Ryd(3S) 0.008149573 - 0.631491428
4 O1 Ryd(4S) 0.000149332 - 1.867259998
5 O1 Ryd(5S) 0.000000091 - 49.429583963
6 O1 Val(2p) 1.982765342 - -0.396256218
7 O1 Ryd(3p) 0.002561157 - 0.219617782
8 O1 Ryd(4p) 0.000137566 - 1.081299565
9 O1 Ryd(5p) 0.000005893 - 4.728457673
10 O1 Val(2p) 1.206138007 - -0.401304402
11 O1 Ryd(3p) 0.003766186 - 0.355290461
12 O1 Ryd(4p) 0.000304299 - 1.292718414
13 O1 Ryd(5p) 0.000013186 - 4.727140978
14 O1 Val(2p) 1.432614284 - -0.394726143
15 O1 Ryd(3p) 0.000531586 - 0.277146498
16 O1 Ryd(4p) 0.000557414 - 1.081257349
17 O1 Ryd(5p) 0.000060874 - 4.729598616
18 O1 Ryd(3d) 0.000713856 - 1.534743056
19 O1 Ryd(4d) 0.000006015 - 6.681353575
20 O1 Ryd(3d) 0.002413780 - 1.490870092
21 O1 Ryd(4d) 0.000002105 - 6.651587889
22 O1 Ryd(3d) 0.004278582 - 2.084052513
23 O1 Ryd(4d) 0.000011769 - 6.936168919
24 O1 Ryd(3d) 0.002649450 - 1.769184258
25 O1 Ryd(4d) 0.000027820 - 6.777444112
26 O1 Ryd(3d) 0.002794246 - 1.552674597
27 O1 Ryd(4d) 0.000004540 - 6.689275432
28 Cl2 Cor(1S) 1.999999941 - -100.561475899
29 Cl2 Cor(2S) 1.999894726 - -10.454899468
30 Cl2 Val(3S) 1.924459510 - -0.931705099
31 Cl2 Ryd(4S) 0.001984002 - 0.374542926
32 Cl2 Ryd(5S) 0.000414049 - 1.102113110
33 Cl2 Ryd(6S) 0.000001101 - 15.373876382
34 Cl2 Ryd(7S) 0.000000003 - 209.389223145
35 Cl2 Cor(2p) 1.999997722 - -7.281361433
36 Cl2 Val(3p) 1.998055728 - -0.361368129
37 Cl2 Ryd(4p) 0.000970307 - 0.340483105
38 Cl2 Ryd(5p) 0.000165649 - 0.746756621
39 Cl2 Ryd(6p) 0.000008016 - 4.346891581
40 Cl2 Ryd(7p) 0.000000401 - 23.070084267
41 Cl2 Cor(2p) 1.999965063 - -7.292680268
42 Cl2 Val(3p) 1.138222988 - -0.320896295
43 Cl2 Ryd(4p) 0.003275710 - 0.374337592
44 Cl2 Ryd(5p) 0.000247096 - 0.779508037
45 Cl2 Ryd(6p) 0.000027006 - 4.942457346
46 Cl2 Ryd(7p) 0.000001077 - 22.943758569
47 Cl2 Cor(2p) 1.999985599 - -7.285803202
48 Cl2 Val(3p) 1.655455277 - -0.343071173
49 Cl2 Ryd(4p) 0.001498436 - 0.364124564
50 Cl2 Ryd(5p) 0.000193119 - 0.724132487
51 Cl2 Ryd(6p) 0.000016745 - 4.595909385
52 Cl2 Ryd(7p) 0.000000973 - 23.012311558
53 Cl2 Ryd(3d) 0.004384332 - 0.540482343
54 Cl2 Ryd(4d) 0.000011844 - 2.321930150
55 Cl2 Ryd(3d) 0.002091323 - 0.505564888
56 Cl2 Ryd(4d) 0.000011823 - 2.290113799
57 Cl2 Ryd(3d) 0.005833490 - 0.789540454
58 Cl2 Ryd(4d) 0.000045341 - 2.434503003
59 Cl2 Ryd(3d) 0.004103778 - 0.666434363
60 Cl2 Ryd(4d) 0.000048203 - 2.389351670
61 Cl2 Ryd(3d) 0.001753859 - 0.562423282
62 Cl2 Ryd(4d) 0.000028229 - 2.338888104
63 Cl3 Cor(1S) 1.999999941 - -100.561475899
64 Cl3 Cor(2S) 1.999894726 - -10.454899468
65 Cl3 Val(3S) 1.924459510 - -0.931705099
66 Cl3 Ryd(4S) 0.001984002 - 0.374542926
67 Cl3 Ryd(5S) 0.000414049 - 1.102113110
68 Cl3 Ryd(6S) 0.000001101 - 15.373876380
69 Cl3 Ryd(7S) 0.000000003 - 209.389223147
70 Cl3 Cor(2p) 1.999997722 - -7.281361433
71 Cl3 Val(3p) 1.998055728 - -0.361368129
72 Cl3 Ryd(4p) 0.000970307 - 0.340483105
73 Cl3 Ryd(5p) 0.000165649 - 0.746756621
74 Cl3 Ryd(6p) 0.000008016 - 4.346891582
75 Cl3 Ryd(7p) 0.000000401 - 23.070084266
76 Cl3 Cor(2p) 1.999965063 - -7.292680268
77 Cl3 Val(3p) 1.138222988 - -0.320896295
78 Cl3 Ryd(4p) 0.003275710 - 0.374337592
79 Cl3 Ryd(5p) 0.000247096 - 0.779508037
80 Cl3 Ryd(6p) 0.000027006 - 4.942457347
81 Cl3 Ryd(7p) 0.000001077 - 22.943758569
82 Cl3 Cor(2p) 1.999985599 - -7.285803202
83 Cl3 Val(3p) 1.655455277 - -0.343071173
84 Cl3 Ryd(4p) 0.001498436 - 0.364124564
85 Cl3 Ryd(5p) 0.000193119 - 0.724132487
86 Cl3 Ryd(6p) 0.000016745 - 4.595909386
87 Cl3 Ryd(7p) 0.000000973 - 23.012311557
88 Cl3 Ryd(3d) 0.004384332 - 0.540482343
89 Cl3 Ryd(4d) 0.000011844 - 2.321930150
90 Cl3 Ryd(3d) 0.002091323 - 0.505564888
91 Cl3 Ryd(4d) 0.000011823 - 2.290113799
92 Cl3 Ryd(3d) 0.005833490 - 0.789540454
93 Cl3 Ryd(4d) 0.000045341 - 2.434503003
94 Cl3 Ryd(3d) 0.004103778 - 0.666434363
95 Cl3 Ryd(4d) 0.000048203 - 2.389351670
96 Cl3 Ryd(3d) 0.001753859 - 0.562423282
97 Cl3 Ryd(4d) 0.000028229 - 2.338888104

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)O1(Cl2) 1s(9.84%)p9.14(89.87%)d0.03(0.29%) 1.261911954 - -0.466609493
2 BD(1)Cl2(O1) 2s(5.91%)p15.75(93.03%)d0.18(1.06%) 0.769635441 - -0.297528022
3 BD(1)O1(Cl3) 1s(9.84%)p9.14(89.87%)d0.03(0.29%) 1.261911954 - -0.466609493
4 BD(1)Cl3(O1) 3s(5.91%)p15.75(93.03%)d0.18(1.06%) 0.769635441 - -0.297528022
5 CR(1)O1 s(100.00%) 1.999948920 - -19.171672433
6 CR(1)Cl2 s(100.00%) 1.999999941 - -100.561478511
7 CR(2)Cl2 s(100.00%)p0.00(0.00%) 1.999894485 - -10.454985579
8 CR(3)Cl2 s(0.00%)p1.00(100.00%) 1.999997722 - -7.281360240
9 CR(4)Cl2 s(0.00%)p1.00(100.00%) 1.999964687 - -7.292649095
10 CR(5)Cl2 s(0.00%)p1.00(100.00%) 1.999985520 - -7.285819406
11 CR(1)Cl3 s(100.00%) 1.999999941 - -100.561478512
12 CR(2)Cl3 s(100.00%)p0.00(0.00%) 1.999894485 - -10.454985579
13 CR(3)Cl3 s(0.00%)p1.00(100.00%) 1.999997722 - -7.281360240
14 CR(4)Cl3 s(0.00%)p1.00(100.00%) 1.999964687 - -7.292649095
15 CR(5)Cl3 s(0.00%)p1.00(100.00%) 1.999985520 - -7.285819406
16 LP(1)O1 s(80.72%)p0.24(19.23%)d0.00(0.04%) 1.996649534 - -0.879074754
17 LP(2)O1 s(0.00%)p1.00(99.89%)d0.00(0.11%) 1.986647228 - -0.398182374
18 LP(1)Cl2 s(86.58%)p0.15(13.42%)d0.00(0.00%) 1.999471941 - -0.871004171
19 LP(2)Cl2 s(0.00%)p1.00(100.00%)d0.00(0.00%) 1.998563605 - -0.361507401
20 LP(3)Cl2 s(7.58%)p12.19(92.40%)d0.00(0.03%) 1.962147180 - -0.406405469
21 LP(1)Cl3 s(86.58%)p0.15(13.42%)d0.00(0.00%) 1.999471941 - -0.871004171
22 LP(2)Cl3 s(0.00%)p1.00(100.00%)d0.00(0.00%) 1.998563605 - -0.361507401
23 LP(3)Cl3 s(7.58%)p12.19(92.40%)d0.00(0.03%) 1.962147180 - -0.406405469
24 RY*(1)O1 s(54.37%)p0.04(1.95%)d0.80(43.68%) 0.003249535 - 0.914144258
25 RY*(2)O1 s(0.00%)p1.00(83.63%)d0.20(16.37%) 0.001237314 - 0.438551905
26 RY*(3)O1 s(0.00%)p1.00(46.75%)d1.14(53.25%) 0.000847103 - 1.234288680
27 RY*(4)O1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000719872 - 1.573682047
28 RY*(5)O1 s(15.98%)p4.43(70.80%)d0.83(13.22%) 0.000280209 - 1.135338632
29 RY*(6)O1 s(0.00%)p1.00(82.92%)d0.21(17.08%) 0.000232280 - 2.069365896
30 RY*(7)O1 s(9.76%)p7.20(70.29%)d2.04(19.95%) 0.000043656 - 0.919236810
31 RY*(8)O1 s(0.00%)p1.00(71.64%)d0.40(28.36%) 0.000002424 - 0.854935202
32 RY*(9)O1 s(0.00%)p1.00(98.41%)d0.02(1.59%) 0.000000284 - 4.270377290
33 RY*(10)O1 s(72.18%)p0.35(25.15%)d0.04(2.67%) 0.000000488 - 1.358511620
34 RY*(11)O1 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000001294 - 1.085446161
35 RY*(12)O1 s(0.86%)p99.99(99.12%)d0.02(0.01%) 0.000004842 - 4.469782748
36 RY*(13)O1 s(0.00%)p1.00(99.92%)d0.00(0.08%) 0.000000001 - 4.685198753
37 RY*(14)O1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 6.642414583
38 RY*(15)O1 s(0.00%)p1.00(16.44%)d5.08(83.56%) 0.000000006 - 1.328143279
39 RY*(16)O1 s(0.00%)p1.00(0.12%)d99.99(99.88%) 0.000000000 - 6.636419059
40 RY*(17)O1 s(99.98%)p0.00(0.02%)d0.00(0.00%) 0.000000001 - 49.392779774
41 RY*(18)O1 s(0.00%)p1.00(0.61%)d99.99(99.39%) 0.000000484 - 6.962695472
42 RY*(19)O1 s(39.39%)p0.12(4.85%)d1.42(55.75%) 0.000004442 - 2.026566918
43 RY*(20)O1 s(0.01%)p1.00(0.71%)d99.99(99.28%) 0.000000406 - 6.747466347
44 RY*(21)O1 s(7.04%)p3.95(27.77%)d9.27(65.20%) 0.000000841 - 1.150643103
45 RY*(22)O1 s(0.03%)p0.44(0.02%)d99.99(99.95%) 0.000000005 - 6.693201711
46 RY*(1)Cl2 s(0.00%)p1.00(7.74%)d11.92(92.26%) 0.006857869 - 0.522718533
47 RY*(2)Cl2 s(18.11%)p1.22(22.05%)d3.30(59.84%) 0.004596841 - 0.554280455
48 RY*(3)Cl2 s(35.11%)p0.59(20.86%)d1.25(44.03%) 0.001267191 - 0.519921450
49 RY*(4)Cl2 s(21.28%)p2.38(50.68%)d1.32(28.04%) 0.000360030 - 1.555660449
50 RY*(5)Cl2 s(0.00%)p1.00(66.69%)d0.50(33.31%) 0.000276886 - 0.329519956
51 RY*(6)Cl2 s(21.04%)p0.56(11.74%)d3.20(67.22%) 0.000123471 - 0.732686205
52 RY*(7)Cl2 s(0.00%)p1.00(99.99%)d0.00(0.01%) 0.000000133 - 4.674382379
53 RY*(8)Cl2 s(0.00%)p1.00(99.99%)d0.00(0.01%) 0.000000023 - 23.044654033
54 RY*(9)Cl2 s(99.92%)p0.00(0.01%)d0.00(0.07%) 0.000000022 - 15.346163418
55 RY*(10)Cl2 s(5.95%)p14.36(85.43%)d1.45(8.62%) 0.000000884 - 0.748763657
56 RY*(11)Cl2 s(0.50%)p99.99(99.05%)d0.89(0.45%) 0.000002583 - 4.770715725
57 RY*(12)Cl2 s(0.05%)p99.99(99.92%)d0.75(0.03%) 0.000000073 - 22.776314406
58 RY*(13)Cl2 s(6.48%)p14.32(92.85%)d0.10(0.67%) 0.000000832 - 0.424335172
59 RY*(14)Cl2 s(2.88%)p29.40(84.64%)d4.33(12.48%) 0.000000349 - 0.726274850
60 RY*(15)Cl2 s(0.31%)p99.99(98.45%)d3.91(1.23%) 0.000000895 - 4.433055935
61 RY*(16)Cl2 s(0.03%)p99.99(99.94%)d1.31(0.04%) 0.000000037 - 22.962965078
62 RY*(17)Cl2 s(100.00%)p0.00(0.00%)d0.00(0.00%) 0.000000001 - 209.376026472
63 RY*(18)Cl2 s(0.00%)p1.00(0.02%)d99.99(99.98%) 0.000000613 - 2.330921652
64 RY*(19)Cl2 s(0.00%)p1.00(33.18%)d2.01(66.82%) 0.000000009 - 0.366450566
65 RY*(20)Cl2 s(0.00%)p1.00(2.04%)d47.97(97.96%) 0.000000248 - 2.281656869
66 RY*(21)Cl2 s(0.00%)p1.00(90.36%)d0.11(9.64%) 0.000000035 - 0.612140844
67 RY*(22)Cl2 s(0.71%)p2.95(2.09%)d99.99(97.20%) 0.000000996 - 2.369561245
68 RY*(23)Cl2 s(73.46%)p0.27(20.01%)d0.09(6.53%) 0.000000204 - 1.001807946
69 RY*(24)Cl2 s(1.83%)p2.51(4.59%)d51.17(93.58%) 0.000000580 - 2.182342082
70 RY*(25)Cl2 s(12.26%)p0.32(3.97%)d6.84(83.78%) 0.000000559 - 0.467975271
71 RY*(26)Cl2 s(0.02%)p99.99(4.87%)d99.99(95.12%) 0.000000579 - 2.187925009
72 RY*(1)Cl3 s(0.00%)p1.00(7.74%)d11.92(92.26%) 0.006857869 - 0.522718533
73 RY*(2)Cl3 s(18.11%)p1.22(22.05%)d3.30(59.84%) 0.004596841 - 0.554280455
74 RY*(3)Cl3 s(35.11%)p0.59(20.86%)d1.25(44.03%) 0.001267191 - 0.519921450
75 RY*(4)Cl3 s(21.28%)p2.38(50.68%)d1.32(28.04%) 0.000360030 - 1.555660449
76 RY*(5)Cl3 s(0.00%)p1.00(66.69%)d0.50(33.31%) 0.000276886 - 0.329519956
77 RY*(6)Cl3 s(21.04%)p0.56(11.74%)d3.20(67.22%) 0.000123471 - 0.732686205
78 RY*(7)Cl3 s(0.00%)p1.00(99.99%)d0.00(0.01%) 0.000000133 - 4.674382380
79 RY*(8)Cl3 s(0.00%)p1.00(99.99%)d0.00(0.01%) 0.000000023 - 23.044654032
80 RY*(9)Cl3 s(99.92%)p0.00(0.01%)d0.00(0.07%) 0.000000022 - 15.346163416
81 RY*(10)Cl3 s(5.95%)p14.36(85.43%)d1.45(8.62%) 0.000000884 - 0.748763657
82 RY*(11)Cl3 s(0.50%)p99.99(99.05%)d0.89(0.45%) 0.000002583 - 4.770715726
83 RY*(12)Cl3 s(0.05%)p99.99(99.92%)d0.75(0.03%) 0.000000073 - 22.776314405
84 RY*(13)Cl3 s(6.48%)p14.32(92.85%)d0.10(0.67%) 0.000000832 - 0.424335172
85 RY*(14)Cl3 s(2.88%)p29.40(84.64%)d4.33(12.48%) 0.000000349 - 0.726274850
86 RY*(15)Cl3 s(0.31%)p99.99(98.45%)d3.91(1.23%) 0.000000895 - 4.433055936
87 RY*(16)Cl3 s(0.03%)p99.99(99.94%)d1.31(0.04%) 0.000000037 - 22.962965077
88 RY*(17)Cl3 s(100.00%)p0.00(0.00%)d0.00(0.00%) 0.000000001 - 209.376026474
89 RY*(18)Cl3 s(0.00%)p1.00(0.02%)d99.99(99.98%) 0.000000613 - 2.330921652
90 RY*(19)Cl3 s(0.00%)p1.00(33.18%)d2.01(66.82%) 0.000000009 - 0.366450566
91 RY*(20)Cl3 s(0.00%)p1.00(2.04%)d47.97(97.96%) 0.000000248 - 2.281656869
92 RY*(21)Cl3 s(0.00%)p1.00(90.36%)d0.11(9.64%) 0.000000035 - 0.612140844
93 RY*(22)Cl3 s(0.71%)p2.95(2.09%)d99.99(97.20%) 0.000000996 - 2.369561245
94 RY*(23)Cl3 s(73.46%)p0.27(20.01%)d0.09(6.53%) 0.000000204 - 1.001807946
95 RY*(24)Cl3 s(1.83%)p2.51(4.59%)d51.17(93.58%) 0.000000580 - 2.182342082
96 RY*(25)Cl3 s(12.26%)p0.32(3.97%)d6.84(83.78%) 0.000000559 - 0.467975271
97 RY*(26)Cl3 s(0.02%)p99.99(4.87%)d99.99(95.12%) 0.000000579 - 2.187925009

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)O1-Cl2 1, 2 1.995572263 - -0.703438097
2 BD(1)O1-Cl3 3, 4 1.995572263 - -0.703438097
3 CR(1)O1 5 1.999948920 - -19.171672433
4 CR(1)Cl2 6 1.999999941 - -100.561478511
5 CR(2)Cl2 7 1.999894484 - -10.454985573
6 CR(3)Cl2 8 1.999997722 - -7.281360240
7 CR(4)Cl2 9 1.999964687 - -7.292649095
8 CR(5)Cl2 10 1.999985520 - -7.285819406
9 CR(1)Cl3 11 1.999999941 - -100.561478512
10 CR(2)Cl3 12 1.999894485 - -10.454985579
11 CR(3)Cl3 13 1.999997722 - -7.281360240
12 CR(4)Cl3 14 1.999964687 - -7.292649095
13 CR(5)Cl3 15 1.999985520 - -7.285819406
14 LP(1)O1 16 1.996649534 - -0.879074754
15 LP(2)O1 17 1.986647228 - -0.398182374
16 LP(1)Cl2 18 1.999471941 - -0.871004171
17 LP(2)Cl2 19 1.998563605 - -0.361507401
18 LP(3)Cl2 20 1.962147179 - -0.406405468
19 LP(1)Cl3 21 1.999471941 - -0.871004171
20 LP(2)Cl3 22 1.998563605 - -0.361507401
21 LP(3)Cl3 23 1.962147180 - -0.406405469
22 RY*(1)O1 24 0.003249535 - 0.914144258
23 RY*(2)O1 25 0.001237314 - 0.438551905
24 RY*(3)O1 26 0.000847103 - 1.234288680
25 RY*(4)O1 27 0.000719872 - 1.573682047
26 RY*(5)O1 28 0.000280209 - 1.135338632
27 RY*(6)O1 29 0.000232280 - 2.069365896
28 RY*(7)O1 30 0.000043656 - 0.919236810
29 RY*(8)O1 31 0.000002424 - 0.854935202
30 RY*(9)O1 32 0.000000284 - 4.270377290
31 RY*(10)O1 33 0.000000488 - 1.358511620
32 RY*(11)O1 34 0.000001294 - 1.085446161
33 RY*(12)O1 35 0.000004842 - 4.469782748
34 RY*(13)O1 36 0.000000001 - 4.685198753
35 RY*(14)O1 37 0.000000000 - 6.642414583
36 RY*(15)O1 38 0.000000006 - 1.328143279
37 RY*(16)O1 39 0.000000000 - 6.636419059
38 RY*(17)O1 40 0.000000001 - 49.392779774
39 RY*(18)O1 41 0.000000484 - 6.962695472
40 RY*(19)O1 42 0.000004442 - 2.026566918
41 RY*(20)O1 43 0.000000406 - 6.747466347
42 RY*(21)O1 44 0.000000841 - 1.150643103
43 RY*(22)O1 45 0.000000005 - 6.693201711
44 RY*(1)Cl2 46 0.006857869 - 0.522718533
45 RY*(2)Cl2 47 0.004596841 - 0.554280455
46 RY*(3)Cl2 48 0.001267191 - 0.519921450
47 RY*(4)Cl2 49 0.000360030 - 1.555660449
48 RY*(5)Cl2 50 0.000276886 - 0.329519956
49 RY*(6)Cl2 51 0.000123471 - 0.732686205
50 RY*(7)Cl2 52 0.000000133 - 4.674382379
51 RY*(8)Cl2 53 0.000000023 - 23.044654033
52 RY*(9)Cl2 54 0.000000022 - 15.346163418
53 RY*(10)Cl2 55 0.000000884 - 0.748763657
54 RY*(11)Cl2 56 0.000002583 - 4.770715725
55 RY*(12)Cl2 57 0.000000073 - 22.776314406
56 RY*(13)Cl2 58 0.000000832 - 0.424335172
57 RY*(14)Cl2 59 0.000000349 - 0.726274850
58 RY*(15)Cl2 60 0.000000895 - 4.433055935
59 RY*(16)Cl2 61 0.000000037 - 22.962965078
60 RY*(17)Cl2 62 0.000000001 - 209.376026472
61 RY*(18)Cl2 63 0.000000613 - 2.330921652
62 RY*(19)Cl2 64 0.000000009 - 0.366450566
63 RY*(20)Cl2 65 0.000000248 - 2.281656869
64 RY*(21)Cl2 66 0.000000035 - 0.612140844
65 RY*(22)Cl2 67 0.000000996 - 2.369561245
66 RY*(23)Cl2 68 0.000000204 - 1.001807946
67 RY*(24)Cl2 69 0.000000580 - 2.182342082
68 RY*(25)Cl2 70 0.000000559 - 0.467975271
69 RY*(26)Cl2 71 0.000000579 - 2.187925009
70 RY*(1)Cl3 72 0.006857869 - 0.522718533
71 RY*(2)Cl3 73 0.004596841 - 0.554280455
72 RY*(3)Cl3 74 0.001267191 - 0.519921450
73 RY*(4)Cl3 75 0.000360030 - 1.555660449
74 RY*(5)Cl3 76 0.000276886 - 0.329519956
75 RY*(6)Cl3 77 0.000123471 - 0.732686205
76 RY*(7)Cl3 78 0.000000133 - 4.674382380
77 RY*(8)Cl3 79 0.000000023 - 23.044654032
78 RY*(9)Cl3 80 0.000000022 - 15.346163416
79 RY*(10)Cl3 81 0.000000884 - 0.748763657
80 RY*(11)Cl3 82 0.000002583 - 4.770715726
81 RY*(12)Cl3 83 0.000000073 - 22.776314405
82 RY*(13)Cl3 84 0.000000832 - 0.424335172
83 RY*(14)Cl3 85 0.000000349 - 0.726274850
84 RY*(15)Cl3 86 0.000000895 - 4.433055936
85 RY*(16)Cl3 87 0.000000037 - 22.962965077
86 RY*(17)Cl3 88 0.000000001 - 209.376026474
87 RY*(18)Cl3 89 0.000000613 - 2.330921652
88 RY*(19)Cl3 90 0.000000009 - 0.366450566
89 RY*(20)Cl3 91 0.000000248 - 2.281656869
90 RY*(21)Cl3 92 0.000000035 - 0.612140844
91 RY*(22)Cl3 93 0.000000996 - 2.369561245
92 RY*(23)Cl3 94 0.000000204 - 1.001807946
93 RY*(24)Cl3 95 0.000000580 - 2.182342082
94 RY*(25)Cl3 96 0.000000559 - 0.467975271
95 RY*(26)Cl3 97 0.000000579 - 2.187925009
96 BD*(1)O1-Cl2 0.035975131 - -0.060699417
97 BD*(1)O1-Cl3 0.035975131 - -0.060699417

Quote

THE TEST OF A FIRST RATE INTELLIGENCE IS THE ABILITY TO HOLD TWO OPPOSED IDEAS IN THE MIND AT THE SAME TIME, AND STILL RETAIN THE ABILITY TO FUNCTION. ONE SHOULD, FOR EXAMPLE, BE ABLE TO SEE THAT THINGS ARE HOPELESS AND YET BE DETERMINED TO MAKE THEM OTHERWISE. -- F. SCOTT FITZGERALD