WebMO Job Summary

33549: Co (doublet), 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) Geom=Connectivity
Method B3LYP
Stoichiometry Co(2)
Symmetry OH
Basis 6-311+G(2d,p)
UB3LYP Energy -1382.6934746 Hartree
Dipole Moment 0.0000 Debye
Server class (34154)
CPU time 3.2 sec

Partial Charges

Atom Symbol Charge
1 Co -0.000000  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 A1G 1 α -277.4345
2 A1G 1 α -32.74061
3 T1U 1 α -28.39923
4 T1U 1 α -28.39923
5 T1U 1 α -28.39923
6 A1G 1 α -3.69278
7 T1U 1 α -2.38199
8 T1U 1 α -2.38199
9 T1U 1 α -2.38199
10 EG 1 α -0.26718
11 EG 1 α -0.26718
12 T2G 1 α -0.23166
13 T2G 1 α -0.23166
14 T2G 1 α -0.23166
15 A1G 0 α -0.12178
16 T1U 0 α -0.00452
17 T1U 0 α -0.00452
18 T1U 0 α -0.00452
19 A1G 0 α 0.01386
20 A1G 0 α 0.19872
21 T1U 0 α 0.21349
22 T1U 0 α 0.21349
23 T1U 0 α 0.21349
24 EG 0 α 0.27172
25 EG 0 α 0.27172
26 T2G 0 α 0.2753
27 T2G 0 α 0.2753
28 T2G 0 α 0.2753
29 EG 0 α 1.4699
30 EG 0 α 1.4699
31 T2G 0 α 1.48679
32 T2G 0 α 1.48679
33 T2G 0 α 1.48679
34 T1U 0 α 1.67283
35 T1U 0 α 1.67283
36 T1U 0 α 1.67283
37 T1U 0 α 1.75124
38 T1U 0 α 1.75124
39 T1U 0 α 1.75124
40 T2U 0 α 1.7573
41 T2U 0 α 1.7573
42 T2U 0 α 1.7573
43 A2U 0 α 1.76539
44 A1G 0 α 2.99439
45 EG 0 α 6.20022
46 EG 0 α 6.20022
47 T2G 0 α 6.23121
48 T2G 0 α 6.23121
49 T2G 0 α 6.23121
50 T1U 0 α 6.51961
51 T1U 0 α 6.51961
52 T1U 0 α 6.51961
53 T2U 0 α 6.53967
54 T2U 0 α 6.53967
55 T2U 0 α 6.53967
56 A2U 0 α 6.56485
57 T1U 0 α 8.13278
58 T1U 0 α 8.13278
59 T1U 0 α 8.13278
60 A1G 0 α 27.42135
61 T1U 0 α 33.91021
62 T1U 0 α 33.91021
63 T1U 0 α 33.91021
64 A1G 0 α 153.22681
65 A1G 0 α 803.94559
66 A1G 1 β -277.43598
67 A1G 1 β -32.69924
68 T1U 1 β -28.36541
69 T1U 1 β -28.36541
70 T1U 1 β -28.36541
71 A1G 1 β -3.59682
72 T1U 1 β -2.27897
73 T1U 1 β -2.27897
74 T1U 1 β -2.27897
75 T2G 1 β -0.1942
76 T2G 1 β -0.1942
77 T2G 1 β -0.1942
78 A1G 1 β -0.18139
79 T1U 0 β -0.01822
80 T1U 0 β -0.01822
81 T1U 0 β -0.01822
82 EG 0 β -0.00934
83 EG 0 β -0.00934
84 A1G 0 β 0.0101
85 A1G 0 β 0.19447
86 T1U 0 β 0.20553
87 T1U 0 β 0.20553
88 T1U 0 β 0.20553
89 T2G 0 β 0.26536
90 T2G 0 β 0.26536
91 T2G 0 β 0.26536
92 EG 0 β 0.28991
93 EG 0 β 0.28991
94 T2G 0 β 1.49105
95 T2G 0 β 1.49105
96 T2G 0 β 1.49105
97 EG 0 β 1.53685
98 EG 0 β 1.53685
99 T1U 0 β 1.69887
100 T1U 0 β 1.69887
101 T1U 0 β 1.69887
102 A2U 0 β 1.74683
103 T2U 0 β 1.7631
104 T2U 0 β 1.7631
105 T2U 0 β 1.7631
106 T1U 0 β 1.78286
107 T1U 0 β 1.78286
108 T1U 0 β 1.78286
109 A1G 0 β 3.04159
110 T2G 0 β 6.264
111 T2G 0 β 6.264
112 T2G 0 β 6.264
113 EG 0 β 6.31487
114 EG 0 β 6.31487
115 A2U 0 β 6.57974
116 T2U 0 β 6.6046
117 T2U 0 β 6.6046
118 T2U 0 β 6.6046
119 T1U 0 β 6.63035
120 T1U 0 β 6.63035
121 T1U 0 β 6.63035
122 T1U 0 β 8.19356
123 T1U 0 β 8.19356
124 T1U 0 β 8.19356
125 A1G 0 β 27.48022
126 T1U 0 β 33.95998
127 T1U 0 β 33.95998
128 T1U 0 β 33.95998
129 A1G 0 β 153.24849
130 A1G 0 β 803.9486
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 Co -0.50000  

Natural Population Analysis

Atom Symbol Charge
1 Co 0.50000  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 Co1 Cor(1S) 1.000000000 - -277.432330050
2 Co1 Cor(2S) 0.999999920 - -31.909525238
3 Co1 Cor(3S) 0.999998862 - -4.526029249
4 Co1 Ryd(4S) 0.000000000 - -0.121334634
5 Co1 Val(6S) 0.000001138 - 1.679388614
6 Co1 Ryd(7S) 0.000000080 - 21.056227004
7 Co1 Ryd(8S) -0.000000000 - 52.992827447
8 Co1 Ryd(10S) 0.000000000 - 553.077328178
9 Co1 Ryd(9S) 0.000000000 - 358.644215898
10 Co1 Ryd(5S) -0.000000000 - 0.350276480
11 Co1 Cor(2p) 0.999999883 - -28.347579813
12 Co1 Cor(3p) 0.999978881 - -2.433523085
13 Co1 Val(5p) 0.000010987 - 0.752208430
14 Co1 Ryd(7p) 0.000000110 - 13.385090498
15 Co1 Ryd(4p) -0.000000000 - 0.494421647
16 Co1 Ryd(8p) 0.000000000 - 26.646399462
17 Co1 Ryd(6p) -0.000000000 - 2.647016401
18 Co1 Cor(2p) 0.999999883 - -28.347579812
19 Co1 Cor(3p) 0.999978881 - -2.433523085
20 Co1 Val(5p) 0.000010987 - 0.752208430
21 Co1 Ryd(7p) 0.000000110 - 13.385090498
22 Co1 Ryd(4p) -0.000000000 - 0.494421650
23 Co1 Ryd(8p) 0.000000000 - 26.646399462
24 Co1 Ryd(6p) -0.000000000 - 2.647016401
25 Co1 Cor(2p) 0.999999883 - -28.347579813
26 Co1 Cor(3p) 0.999978881 - -2.433523085
27 Co1 Val(5p) 0.000010987 - 0.752208430
28 Co1 Ryd(7p) 0.000000110 - 13.385090498
29 Co1 Ryd(4p) -0.000000000 - 0.494421650
30 Co1 Ryd(8p) -0.000000000 - 26.646399462
31 Co1 Ryd(6p) -0.000000000 - 2.647016401
32 Co1 Val(3d) 0.999830713 - -0.231550554
33 Co1 Ryd(4d) 0.000169258 - 0.396331402
34 Co1 Ryd(5d) 0.000000029 - 1.920711831
35 Co1 Ryd(6d) 0.000000000 - 5.676147855
36 Co1 Val(3d) 0.999830713 - -0.231550554
37 Co1 Ryd(4d) 0.000169258 - 0.396331401
38 Co1 Ryd(5d) 0.000000029 - 1.920711830
39 Co1 Ryd(6d) 0.000000000 - 5.676147855
40 Co1 Val(3d) 0.999830713 - -0.231550555
41 Co1 Ryd(4d) 0.000169258 - 0.396331402
42 Co1 Ryd(5d) 0.000000029 - 1.920711831
43 Co1 Ryd(6d) 0.000000000 - 5.676147855
44 Co1 Val(3d) 0.998734778 - -0.266350784
45 Co1 Ryd(4d) 0.001265191 - 0.387043681
46 Co1 Ryd(5d) 0.000000031 - 1.911127814
47 Co1 Ryd(6d) 0.000000000 - 5.642830951
48 Co1 Val(3d) 0.998734778 - -0.266350782
49 Co1 Ryd(4d) 0.001265191 - 0.387043681
50 Co1 Ryd(5d) 0.000000031 - 1.911127814
51 Co1 Ryd(6d) -0.000000000 - 5.642830951
52 Co1 Ryd(4f) 0.000009773 - 4.095944657
53 Co1 Ryd(5f) 0.000000367 - 4.174433801
54 Co1 Ryd(4f) 0.000003665 - 4.106855436
55 Co1 Ryd(5f) 0.000000138 - 4.180142468
56 Co1 Ryd(4f) 0.000003665 - 4.106855436
57 Co1 Ryd(5f) 0.000000138 - 4.180142468
58 Co1 Ryd(4f) 0.000000000 - 4.113401903
59 Co1 Ryd(5f) 0.000000000 - 4.183567668
60 Co1 Ryd(4f) 0.000000000 - 4.135177516
61 Co1 Ryd(5f) 0.000000000 - 4.195063672
62 Co1 Ryd(4f) 0.000006108 - 4.102491124
63 Co1 Ryd(5f) 0.000000229 - 4.177859001
64 Co1 Ryd(4f) 0.000006108 - 4.102491124
65 Co1 Ryd(5f) 0.000000229 - 4.177859001

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 CR(1)Co1 s(100.00%) 1.000000000 α -277.432330050
2 CR(2)Co1 s(100.00%) 0.999999920 α -31.909525238
3 CR(3)Co1 s(100.00%) 0.999998862 α -4.526029249
4 CR(4)Co1 s(0.00%)p1.00(100.00%) 0.999999883 α -28.347579813
5 CR(5)Co1 s(0.00%)p1.00(100.00%) 0.999978881 α -2.433523085
6 CR(6)Co1 s(0.00%)p1.00(100.00%) 0.999999883 α -28.347579812
7 CR(7)Co1 s(0.00%)p1.00(100.00%) 0.999978881 α -2.433523085
8 CR(8)Co1 s(0.00%)p1.00(100.00%) 0.999999883 α -28.347579813
9 CR(9)Co1 s(0.00%)p1.00(100.00%) 0.999978881 α -2.433523085
10 LP(1)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 1.000000000 α -0.231655391
11 LP(2)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 1.000000000 α -0.231655391
12 LP(3)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 1.000000000 α -0.231655392
13 LP(4)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 1.000000000 α -0.267183863
14 LP(5)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 1.000000000 α -0.267183862
15 LP*(6)Co1 s(0.00%)p1.00(96.77%)d0.00(0.00%) 0.000011353 α 0.859953018
16 LP*(7)Co1 s(0.00%)p1.00(96.77%)d0.00(0.00%) 0.000011353 α 0.859953019
17 LP*(8)Co1 s(0.00%)p1.00(52.01%)d0.00(0.00%) 0.000021119 α 2.784718613
18 LP*(9)Co1 s(100.00%) -0.000000000 α 52.992827447
19 RY*(1)Co1 s(100.00%) 0.000000000 α 553.077328178
20 RY*(2)Co1 s(100.00%) 0.000000000 α 358.644215898
21 RY*(3)Co1 s(100.00%) -0.000000000 α 0.350276480
22 RY*(4)Co1 s(100.00%) 0.000000000 α -0.121334634
23 RY*(5)Co1 s(0.00%)p1.00(100.00%) 0.000000110 α 13.385147702
24 RY*(6)Co1 s(0.00%)p1.00(100.00%) -0.000000000 α 0.494421647
25 RY*(7)Co1 s(0.00%)p1.00(100.00%) 0.000000000 α 26.646399462
26 RY*(8)Co1 s(0.00%)p1.00(100.00%) -0.000000000 α 2.647016401
27 RY*(9)Co1 s(100.00%) 0.000001138 α 1.679388614
28 RY*(10)Co1 s(0.00%)p1.00(100.00%) 0.000000110 α 13.385147702
29 RY*(11)Co1 s(0.00%)p1.00(100.00%) -0.000000000 α 0.494421650
30 RY*(12)Co1 s(0.00%)p1.00(100.00%) 0.000000000 α 26.646399462
31 RY*(13)Co1 s(0.00%)p1.00(100.00%) -0.000000000 α 2.647016401
32 RY*(14)Co1 s(100.00%) 0.000000080 α 21.056227004
33 RY*(15)Co1 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000110 α 13.384627019
34 RY*(16)Co1 s(0.00%)p1.00(100.00%) -0.000000000 α 0.494421650
35 RY*(17)Co1 s(0.00%)p1.00(100.00%) -0.000000000 α 26.646399462
36 RY*(18)Co1 s(0.00%)p1.00(100.00%) -0.000000000 α 2.647016401
37 RY*(19)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 α 0.396437711
38 RY*(20)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 α 1.920710358
39 RY*(21)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 α 5.676147855
40 RY*(22)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 α 0.396437711
41 RY*(23)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 α 1.920710358
42 RY*(24)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 α 5.676147855
43 RY*(25)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 α 0.396437711
44 RY*(26)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 α 1.920710358
45 RY*(27)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 α 5.676147855
46 RY*(28)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 α 0.387872453
47 RY*(29)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 α 1.911132122
48 RY*(30)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 α 5.642830951
49 RY*(31)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 α 0.387872453
50 RY*(32)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 α 1.911132122
51 RY*(33)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 α 5.642830951
52 RY*(34)Co1 s(0.00%)p1.00(47.07%)d0.00(0.00%) 0.000000007 α 2.521508638
53 RY*(35)Co1 s(0.00%)p1.00(0.92%)d0.00(0.00%) 0.000000001 α 3.716823117
54 RY*(36)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000003665 α 4.106855436
55 RY*(37)Co1 s(0.00%)p1.00(1.24%)d0.00(0.00%) 0.000000000 α 4.138813325
56 RY*(38)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000003665 α 4.106855436
57 RY*(39)Co1 s(0.00%)p1.00(1.24%)d0.00(0.00%) 0.000000000 α 4.138813325
58 RY*(40)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000000000 α 4.113401903
59 RY*(41)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000000000 α 4.183567668
60 RY*(42)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000000000 α 4.135177516
61 RY*(43)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000000000 α 4.195063672
62 RY*(44)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000006108 α 4.102491124
63 RY*(45)Co1 s(0.00%)p1.00(1.99%)d0.00(0.00%) 0.000000000 α 4.111386352
64 RY*(46)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000006108 α 4.102491124
65 RY*(47)Co1 s(0.00%)p1.00(1.99%)d0.00(0.00%) 0.000000000 α 4.111386352
66 CR(1)Co1 s(100.00%) 1.000000000 β -277.433798201
67 CR(2)Co1 s(100.00%) 0.999999920 β -31.874800211
68 CR(3)Co1 s(100.00%) 1.000000000 β -0.181398037
69 CR(4)Co1 s(0.00%)p1.00(100.00%) 0.999999865 β -28.315925624
70 CR(5)Co1 s(0.00%)p1.00(100.00%) 0.999950549 β -2.328178886
71 CR(6)Co1 s(0.00%)p1.00(100.00%) 0.999999865 β -28.315925624
72 CR(7)Co1 s(0.00%)p1.00(100.00%) 0.999950549 β -2.328178886
73 CR(8)Co1 s(0.00%)p1.00(100.00%) 0.999999865 β -28.315925624
74 CR(9)Co1 s(0.00%)p1.00(100.00%) 0.999950549 β -2.328178886
75 LP(1)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 1.000000000 β -4.423422105
76 LP(2)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 1.000000000 β -0.194201672
77 LP(3)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 1.000000000 β -0.194201672
78 LP(4)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 1.000000000 β -0.194201672
79 LP(5)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000049451 β 3.245746951
80 LP*(6)Co1 s(0.00%)p1.00(96.77%)d0.00(0.00%) 0.000049451 β 3.245746951
81 LP*(7)Co1 s(0.00%)p1.00(96.77%)d0.00(0.00%) 0.000049451 β 3.245746951
82 LP*(8)Co1 s(0.00%)p1.00(52.01%)d0.00(0.00%) 0.000000000 β 553.077418286
83 LP*(9)Co1 s(100.00%) 0.000000000 β 358.669696245
84 RY*(1)Co1 s(100.00%) 0.000000000 β 0.347128263
85 RY*(2)Co1 s(100.00%) 0.000000002 β 2.250401039
86 RY*(3)Co1 s(100.00%) 0.000000110 β 13.443317049
87 RY*(4)Co1 s(100.00%) 0.000000000 β 0.492552700
88 RY*(5)Co1 s(0.00%)p1.00(100.00%) 0.000000000 β 26.694331374
89 RY*(6)Co1 s(0.00%)p1.00(100.00%) 0.000000000 β 2.641639144
90 RY*(7)Co1 s(0.00%)p1.00(100.00%) 0.000000002 β 2.250401038
91 RY*(8)Co1 s(0.00%)p1.00(100.00%) 0.000000110 β 13.443317049
92 RY*(9)Co1 s(100.00%) 0.000000000 β 0.492552699
93 RY*(10)Co1 s(0.00%)p1.00(100.00%) 0.000000000 β 26.694331373
94 RY*(11)Co1 s(0.00%)p1.00(100.00%) 0.000000000 β 2.641639143
95 RY*(12)Co1 s(0.00%)p1.00(100.00%) 0.000000003 β 1.537778444
96 RY*(13)Co1 s(0.00%)p1.00(100.00%) 0.000000110 β 13.443317054
97 RY*(14)Co1 s(100.00%) 0.000000000 β 0.492552699
98 RY*(15)Co1 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000000 β 26.694331373
99 RY*(16)Co1 s(0.00%)p1.00(100.00%) 0.000000000 β 2.641639143
100 RY*(17)Co1 s(0.00%)p1.00(100.00%) -0.000000000 β 0.391175037
101 RY*(18)Co1 s(0.00%)p1.00(100.00%) 0.000000000 β 1.914863305
102 RY*(19)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 β 5.714375467
103 RY*(20)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 β 0.391175037
104 RY*(21)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 1.914863305
105 RY*(22)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 β 5.714375467
106 RY*(23)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 0.391175036
107 RY*(24)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 β 1.914863304
108 RY*(25)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 β 5.714375467
109 RY*(26)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 0.001862868
110 RY*(27)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 0.420808490
111 RY*(28)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 1.935687898
112 RY*(29)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 5.773934860
113 RY*(30)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 0.001862867
114 RY*(31)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 0.420808490
115 RY*(32)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 1.935687897
116 RY*(33)Co1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 5.773934859
117 RY*(34)Co1 s(0.00%)p1.00(47.07%)d0.00(0.00%) 0.000000000 β 1.709950221
118 RY*(35)Co1 s(0.00%)p1.00(0.92%)d0.00(0.00%) 0.000000023 β 4.397282761
119 RY*(36)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000000080 β 21.111400773
120 RY*(37)Co1 s(0.00%)p1.00(1.24%)d0.00(0.00%) 0.000000009 β 4.271575144
121 RY*(38)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000000000 β 53.007875008
122 RY*(39)Co1 s(0.00%)p1.00(1.24%)d0.00(0.00%) 0.000000009 β 4.271575143
123 RY*(40)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000000000 β 4.171398192
124 RY*(41)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000000000 β 4.196295045
125 RY*(42)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000000000 β 4.144661208
126 RY*(43)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000000000 β 4.181912816
127 RY*(44)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000000001 β 3.458777536
128 RY*(45)Co1 s(0.00%)p1.00(1.99%)d0.00(0.00%) 0.000000014 β 4.322000730
129 RY*(46)Co1 s(0.00%)p0.00(0.00%)d0.00(0.00%) 0.000000001 β 3.458777535
130 RY*(47)Co1 s(0.00%)p1.00(1.99%)d0.00(0.00%) 0.000000014 β 4.322000730

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 CR(1)Co1 2869 1.000000000 α -277.432330050
2 CR(2)Co1 2870 0.999999920 α -31.909525238
3 CR(3)Co1 2871 0.999998862 α -4.526029249
4 CR(4)Co1 2872 0.999999883 α -28.347579813
5 CR(5)Co1 2873 0.999978881 α -2.433523085
6 CR(6)Co1 2874 0.999999883 α -28.347579812
7 CR(7)Co1 2875 0.999978881 α -2.433523085
8 CR(8)Co1 2876 0.999999883 α -28.347579813
9 CR(9)Co1 2877 0.999978881 α -2.433523085
10 LP(1)Co1 2878 1.000000000 α -0.231655391
11 LP(2)Co1 2879 1.000000000 α -0.231655391
12 LP(3)Co1 2880 1.000000000 α -0.231655392
13 LP(4)Co1 2881 1.000000000 α -0.267183863
14 LP(5)Co1 2882 1.000000000 α -0.267183862
15 LP*(6)Co1 2883 0.000011353 α 0.859953018
16 LP*(7)Co1 2884 0.000011353 α 0.859953019
17 LP*(8)Co1 2885 0.000021119 α 2.784718613
18 LP*(9)Co1 2886 -0.000000000 α 52.992827447
19 RY*(1)Co1 2887 0.000000000 α 553.077328178
20 RY*(2)Co1 2888 0.000000000 α 358.644215898
21 RY*(3)Co1 2889 -0.000000000 α 0.350276480
22 RY*(4)Co1 2890 0.000000000 α -0.121334634
23 RY*(5)Co1 2891 0.000000110 α 13.385147702
24 RY*(6)Co1 2892 -0.000000000 α 0.494421647
25 RY*(7)Co1 2893 0.000000000 α 26.646399462
26 RY*(8)Co1 2894 -0.000000000 α 2.647016401
27 RY*(9)Co1 2895 0.000001138 α 1.679388614
28 RY*(10)Co1 2896 0.000000110 α 13.385147702
29 RY*(11)Co1 2897 -0.000000000 α 0.494421650
30 RY*(12)Co1 2898 0.000000000 α 26.646399462
31 RY*(13)Co1 2899 -0.000000000 α 2.647016401
32 RY*(14)Co1 2900 0.000000080 α 21.056227004
33 RY*(15)Co1 2901 0.000000110 α 13.384627019
34 RY*(16)Co1 2902 -0.000000000 α 0.494421650
35 RY*(17)Co1 2903 -0.000000000 α 26.646399462
36 RY*(18)Co1 2904 -0.000000000 α 2.647016401
37 RY*(19)Co1 2905 -0.000000000 α 0.396437711
38 RY*(20)Co1 2906 0.000000000 α 1.920710358
39 RY*(21)Co1 2907 0.000000000 α 5.676147855
40 RY*(22)Co1 2908 -0.000000000 α 0.396437711
41 RY*(23)Co1 2909 -0.000000000 α 1.920710358
42 RY*(24)Co1 2910 0.000000000 α 5.676147855
43 RY*(25)Co1 2911 -0.000000000 α 0.396437711
44 RY*(26)Co1 2912 -0.000000000 α 1.920710358
45 RY*(27)Co1 2913 0.000000000 α 5.676147855
46 RY*(28)Co1 2914 0.000000000 α 0.387872453
47 RY*(29)Co1 2915 0.000000000 α 1.911132122
48 RY*(30)Co1 2916 0.000000000 α 5.642830951
49 RY*(31)Co1 2917 0.000000000 α 0.387872453
50 RY*(32)Co1 2918 0.000000000 α 1.911132122
51 RY*(33)Co1 2919 -0.000000000 α 5.642830951
52 RY*(34)Co1 2920 0.000000007 α 2.521508638
53 RY*(35)Co1 2921 0.000000001 α 3.716823117
54 RY*(36)Co1 2922 0.000003665 α 4.106855436
55 RY*(37)Co1 2923 0.000000000 α 4.138813325
56 RY*(38)Co1 2924 0.000003665 α 4.106855436
57 RY*(39)Co1 2925 0.000000000 α 4.138813325
58 RY*(40)Co1 2926 0.000000000 α 4.113401903
59 RY*(41)Co1 2927 0.000000000 α 4.183567668
60 RY*(42)Co1 2928 0.000000000 α 4.135177516
61 RY*(43)Co1 2929 0.000000000 α 4.195063672
62 RY*(44)Co1 2930 0.000006108 α 4.102491124
63 RY*(45)Co1 2931 0.000000000 α 4.111386352
64 RY*(46)Co1 2932 0.000006108 α 4.102491124
65 RY*(47)Co1 2933 0.000000000 α 4.111386352
66 CR(1)Co1 2934 1.000000000 β -277.433798201
67 CR(2)Co1 2935 0.999999920 β -31.874800211
68 CR(3)Co1 2936 1.000000000 β -0.181398037
69 CR(4)Co1 2937 0.999999865 β -28.315925624
70 CR(5)Co1 2938 0.999950549 β -2.328178886
71 CR(6)Co1 2939 0.999999865 β -28.315925624
72 CR(7)Co1 2940 0.999950549 β -2.328178886
73 CR(8)Co1 2941 0.999999865 β -28.315925624
74 CR(9)Co1 2942 0.999950549 β -2.328178886
75 LP(1)Co1 2943 1.000000000 β -4.423422105
76 LP(2)Co1 2944 1.000000000 β -0.194201672
77 LP(3)Co1 2945 1.000000000 β -0.194201672
78 LP(4)Co1 2946 1.000000000 β -0.194201672
79 LP(5)Co1 2947 0.000049451 β 3.245746951
80 LP*(6)Co1 2948 0.000049451 β 3.245746951
81 LP*(7)Co1 2949 0.000049451 β 3.245746951
82 LP*(8)Co1 2950 0.000000000 β 553.077418286
83 LP*(9)Co1 2951 0.000000000 β 358.669696245
84 RY*(1)Co1 2952 0.000000000 β 0.347128263
85 RY*(2)Co1 2953 0.000000002 β 2.250401039
86 RY*(3)Co1 2954 0.000000110 β 13.443317049
87 RY*(4)Co1 2955 0.000000000 β 0.492552700
88 RY*(5)Co1 2956 0.000000000 β 26.694331374
89 RY*(6)Co1 2957 0.000000000 β 2.641639144
90 RY*(7)Co1 2958 0.000000002 β 2.250401038
91 RY*(8)Co1 2959 0.000000110 β 13.443317049
92 RY*(9)Co1 2960 0.000000000 β 0.492552699
93 RY*(10)Co1 2961 0.000000000 β 26.694331373
94 RY*(11)Co1 2962 0.000000000 β 2.641639143
95 RY*(12)Co1 2963 0.000000003 β 1.537778444
96 RY*(13)Co1 2964 0.000000110 β 13.443317054
97 RY*(14)Co1 2965 0.000000000 β 0.492552699
98 RY*(15)Co1 2966 0.000000000 β 26.694331373
99 RY*(16)Co1 2967 0.000000000 β 2.641639143
100 RY*(17)Co1 2968 -0.000000000 β 0.391175037
101 RY*(18)Co1 2969 0.000000000 β 1.914863305
102 RY*(19)Co1 2970 -0.000000000 β 5.714375467
103 RY*(20)Co1 2971 -0.000000000 β 0.391175037
104 RY*(21)Co1 2972 0.000000000 β 1.914863305
105 RY*(22)Co1 2973 -0.000000000 β 5.714375467
106 RY*(23)Co1 2974 0.000000000 β 0.391175036
107 RY*(24)Co1 2975 -0.000000000 β 1.914863304
108 RY*(25)Co1 2976 -0.000000000 β 5.714375467
109 RY*(26)Co1 2977 0.000000000 β 0.001862868
110 RY*(27)Co1 2978 0.000000000 β 0.420808490
111 RY*(28)Co1 2979 0.000000000 β 1.935687898
112 RY*(29)Co1 2980 0.000000000 β 5.773934860
113 RY*(30)Co1 2981 0.000000000 β 0.001862867
114 RY*(31)Co1 2982 0.000000000 β 0.420808490
115 RY*(32)Co1 2983 0.000000000 β 1.935687897
116 RY*(33)Co1 2984 0.000000000 β 5.773934859
117 RY*(34)Co1 2985 0.000000000 β 1.709950221
118 RY*(35)Co1 2986 0.000000023 β 4.397282761
119 RY*(36)Co1 2987 0.000000080 β 21.111400773
120 RY*(37)Co1 2988 0.000000009 β 4.271575144
121 RY*(38)Co1 2989 0.000000000 β 53.007875008
122 RY*(39)Co1 2990 0.000000009 β 4.271575143
123 RY*(40)Co1 2991 0.000000000 β 4.171398192
124 RY*(41)Co1 2992 0.000000000 β 4.196295045
125 RY*(42)Co1 2993 0.000000000 β 4.144661208
126 RY*(43)Co1 2994 0.000000000 β 4.181912816
127 RY*(44)Co1 2995 0.000000001 β 3.458777536
128 RY*(45)Co1 2996 0.000000014 β 4.322000730
129 RY*(46)Co1 2997 0.000000001 β 3.458777535
130 RY*(47)Co1 2998 0.000000014 β 4.322000730

Quote

THE MEEK SHALL INHERIT THE EARTH. (THE REST OF US WILL ESCAPE TO THE STARS)