WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Method	B3LYP
Stoichiometry	V(2)
Symmetry	OH
Basis	6-311+G(2d,p)
UB3LYP Energy	-943.829068805 Hartree
Dipole Moment	0.0000 Debye
Server	class (33801)
CPU time	3.3 sec

Atom	Symbol	Charge
1	V	-0.000000

					Show all
Orbital	Symmetry	Occupancy	Spin	Energy ()	Actions
1	A1G	1	α	-196.79474
2	A1G	1	α	-22.15237
3	T1U	1	α	-18.67756
4	T1U	1	α	-18.65861
5	T1U	1	α	-18.65436
6	-	1	α	-2.58225
7	-	1	α	-1.64543
8	-	1	α	-1.60676
9	-	1	α	-1.60256
10	-	1	α	-0.19025
11	-	1	α	-0.18486
12	-	1	α	-0.15727
13	-	0	α	-0.1087
14	-	0	α	-0.05253
15	-	0	α	-0.03138
16	-	0	α	-0.02714
17	-	0	α	-0.01716
18	-	0	α	-0.01461
19	-	0	α	0.0063
20	-	0	α	0.14645
21	-	0	α	0.1532
22	-	0	α	0.1661
23	-	0	α	0.16636
24	-	0	α	0.16809
25	-	0	α	0.16926
26	-	0	α	0.17237
27	-	0	α	0.18189
28	-	0	α	0.19316
29	-	0	α	0.9881
30	-	0	α	0.98819
31	-	0	α	1.00952
32	-	0	α	1.01792
33	-	0	α	1.03432
34	-	0	α	1.09472
35	-	0	α	1.09956
36	-	0	α	1.11034
37	A2U	0	α	1.11067
38	-	0	α	1.12145
39	-	0	α	1.12905
40	-	0	α	1.13151
41	-	0	α	1.25955
42	-	0	α	1.28477
43	-	0	α	1.28817
44	T2G	0	α	2.04319
45	T2G	0	α	4.16687
46	T2G	0	α	4.16936
47	T2G	0	α	4.19889
48	T2G	0	α	4.19938
49	T2G	0	α	4.22065
50	-	0	α	4.28553
51	-	0	α	4.28998
52	-	0	α	4.29885
53	A2U	0	α	4.30733
54	-	0	α	4.31353
55	-	0	α	4.33537
56	-	0	α	4.33613
57	-	0	α	6.18457
58	-	0	α	6.21419
59	-	0	α	6.22268
60	A1G	0	α	19.61344
61	T1U	0	α	26.94844
62	T1U	0	α	26.97256
63	T1U	0	α	26.98041
64	A1G	0	α	118.20012
65	A1G	0	α	643.50422
66	A1G	1	β	-196.79599
67	A1G	1	β	-22.13201
68	T1U	1	β	-18.6527
69	T1U	1	β	-18.64836
70	T1U	1	β	-18.63833
71	A1G	1	β	-2.51889
72	T1U	1	β	-1.56113
73	T1U	1	β	-1.55183
74	T1U	1	β	-1.53767
75	-	1	β	-0.16316
76	-	1	β	-0.13078
77	-	0	β	-0.03716
78	-	0	β	-0.03262
79	-	0	β	-0.02628
80	-	0	β	-0.02341
81	-	0	β	-0.02257
82	-	0	β	-0.01489
83	-	0	β	-0.00769
84	-	0	β	0.00587
85	-	0	β	0.14708
86	-	0	β	0.15505
87	-	0	β	0.16305
88	-	0	β	0.16697
89	-	0	β	0.16916
90	-	0	β	0.1804
91	-	0	β	0.18546
92	-	0	β	0.1895
93	-	0	β	0.19198
94	-	0	β	1.01296
95	-	0	β	1.02295
96	-	0	β	1.03381
97	-	0	β	1.04032
98	-	0	β	1.04632
99	-	0	β	1.1164
100	-	0	β	1.11758
101	A2U	0	β	1.12075
102	-	0	β	1.12739
103	-	0	β	1.12859
104	-	0	β	1.14405
105	-	0	β	1.14561
106	-	0	β	1.28951
107	-	0	β	1.30254
108	-	0	β	1.30707
109	A1G	0	β	2.07583
110	T2G	0	β	4.21667
111	T2G	0	β	4.22537
112	EG	0	β	4.23071
113	EG	0	β	4.24343
114	T2G	0	β	4.24892
115	-	0	β	4.34526
116	-	0	β	4.35052
117	A2U	0	β	4.35906
118	-	0	β	4.36491
119	-	0	β	4.36647
120	-	0	β	4.37816
121	-	0	β	4.37865
122	T1U	0	β	6.24127
123	T1U	0	β	6.24193
124	T1U	0	β	6.2615
125	A1G	0	β	19.64487
126	T1U	0	β	26.98325
127	T1U	0	β	26.99139
128	T1U	0	β	27.00581
129	A1G	0	β	118.20954
130	A1G	0	β	643.50493
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	V	-0.50000

Atom	Symbol	Charge
1	V	0.50000

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	V1 Cor(1S)	1.000000000	-	-196.793766630
2	V1 Cor(2S)	0.999999612	-	-22.114684151
3	V1 Cor(3S)	0.999961275	-	-2.620578673
4	V1 Val(4S)	0.228069029	-	-0.125698025
5	V1 Ryd(5S)	0.000977527	-	0.155001635
6	V1 Ryd(7S)	0.000000095	-	13.945190764
7	V1 Ryd(10S)	0.000000000	-	505.325261787
8	V1 Ryd(6S)	0.000000014	-	3.905587577
9	V1 Ryd(9S)	0.000000000	-	236.907820300
10	V1 Ryd(8S)	-0.000000000	-	23.274306787
11	V1 Cor(2p)	0.999999942	-	-18.645375230
12	V1 Cor(3p)	0.999976669	-	-1.619952522
13	V1 Val(4p)	0.000019552	-	0.430885306
14	V1 Ryd(6p)	0.000000082	-	5.282004798
15	V1 Ryd(5p)	0.000000066	-	5.107654304
16	V1 Ryd(8p)	0.000000002	-	13.972044041
17	V1 Ryd(7p)	0.000000001	-	9.832356690
18	V1 Cor(2p)	0.999999680	-	-18.664021914
19	V1 Cor(3p)	0.999922895	-	-1.658638829
20	V1 Val(4p)	0.000001904	-	0.399169593
21	V1 Ryd(6p)	0.000000462	-	5.255379799
22	V1 Ryd(5p)	0.000000134	-	5.088272162
23	V1 Ryd(8p)	0.000000001	-	13.953974613
24	V1 Ryd(7p)	0.000000020	-	9.820762094
25	V1 Cor(2p)	0.999999921	-	-18.641081146
26	V1 Cor(3p)	0.999887245	-	-1.615373663
27	V1 Val(4p)	0.000002519	-	0.430370651
28	V1 Ryd(6p)	0.000000049	-	5.288174632
29	V1 Ryd(5p)	0.000000041	-	5.108993831
30	V1 Ryd(8p)	0.000000003	-	13.977018667
31	V1 Ryd(7p)	0.000000000	-	9.834900834
32	V1 Val(3d)	0.000000000	-	-0.050930943
33	V1 Ryd(4d)	0.000000000	-	0.253569670
34	V1 Ryd(5d)	0.000000000	-	1.033159789
35	V1 Ryd(6d)	0.000000000	-	4.110378032
36	V1 Val(3d)	0.999859555	-	-0.157190417
37	V1 Ryd(4d)	0.000131612	-	0.241638796
38	V1 Ryd(5d)	0.000008827	-	1.026632112
39	V1 Ryd(6d)	0.000000006	-	4.112925084
40	V1 Val(3d)	0.998374954	-	-0.189573827
41	V1 Ryd(4d)	0.001624920	-	0.229791252
42	V1 Ryd(5d)	0.000000068	-	1.008168784
43	V1 Ryd(6d)	0.000000058	-	4.084921513
44	V1 Val(3d)	0.735477069	-	-0.160598890
45	V1 Ryd(4d)	0.000369806	-	0.235722111
46	V1 Ryd(5d)	0.000009508	-	1.010642518
47	V1 Ryd(6d)	0.000000680	-	4.084007795
48	V1 Val(3d)	0.035108205	-	-0.034978249
49	V1 Ryd(4d)	0.000019244	-	0.263902633
50	V1 Ryd(5d)	0.000007590	-	1.045997380
51	V1 Ryd(6d)	0.000000347	-	4.128721181
52	V1 Ryd(4f)	0.000091613	-	2.457180595
53	V1 Ryd(5f)	0.000000078	-	2.999962426
54	V1 Ryd(4f)	0.000001899	-	2.460575875
55	V1 Ryd(5f)	0.000001214	-	3.003344910
56	V1 Ryd(4f)	0.000000227	-	2.430713107
57	V1 Ryd(5f)	0.000000121	-	2.982031188
58	V1 Ryd(4f)	0.000018251	-	2.416904792
59	V1 Ryd(5f)	0.000000278	-	2.974369327
60	V1 Ryd(4f)	0.000000000	-	2.433652211
61	V1 Ryd(5f)	0.000000000	-	2.984353105
62	V1 Ryd(4f)	0.000000571	-	2.430565834
63	V1 Ryd(5f)	0.000000002	-	2.979119382
64	V1 Ryd(4f)	0.000074529	-	2.431861120
65	V1 Ryd(5f)	0.000000028	-	2.980654892

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	CR(1)V1 s(100.00%)	1.000000000	α	-196.793766630
2	CR(2)V1 s(100.00%)	0.999999612	α	-22.114684151
3	CR(3)V1 s(100.00%)	0.999961275	α	-2.620578673
4	CR(4)V1 s(0.00%)p1.00(100.00%)	0.999999942	α	-18.645375230
5	CR(5)V1 s(0.00%)p1.00(100.00%)	0.999976669	α	-1.619952522
6	CR(6)V1 s(0.00%)p1.00(100.00%)	0.999999680	α	-18.664021914
7	CR(7)V1 s(0.00%)p1.00(100.00%)	0.999922895	α	-1.658638829
8	CR(8)V1 s(0.00%)p1.00(100.00%)	0.999999921	α	-18.641081146
9	CR(9)V1 s(0.00%)p1.00(100.00%)	0.999887245	α	-1.615373663
10	LP(1)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.000000000	α	-0.157268667
11	LP(2)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.000000000	α	-0.190251955
12	LP(3)V1 s(22.90%)p0.00(0.00%)d3.37(77.10%)	1.000000000	α	-0.185073493
13	LP*(4)V1 s(0.00%)p1.00(2.29%)d0.00(0.00%)	0.000112755	α	2.508452406
14	LP*(5)V1 s(0.00%)p1.00(2.90%)d0.00(0.00%)	0.000077105	α	2.407965233
15	LP*(6)V1 s(1.11%)p0.00(0.00%)d89.14(98.89%)	0.000038725	α	0.292373705
16	LP*(7)V1 s(0.00%)p1.00(84.28%)d0.00(0.00%)	0.000023331	α	0.506231830
17	LP*(8)V1 s(99.98%)p0.00(0.00%)d0.00(0.02%)	0.000000006	α	3.899138653
18	LP*(9)V1 s(100.00%)	0.000000000	α	236.907820300
19	RY*(1)V1 s(100.00%)	-0.000000000	α	23.274306787
20	RY*(2)V1 s(77.16%)p0.00(0.00%)d0.30(22.84%)	0.000000000	α	-0.107763189
21	RY*(3)V1 s(0.00%)p1.00(99.97%)d0.00(0.00%)	0.000000037	α	5.268431092
22	RY*(4)V1 s(0.00%)p1.00(99.96%)d0.00(0.00%)	0.000000000	α	5.192283468
23	RY*(5)V1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000001	α	13.974444537
24	RY*(6)V1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	α	9.828541917
25	RY*(7)V1 s(0.00%)p1.00(97.55%)d0.00(0.00%)	0.000000032	α	0.445038933
26	RY*(8)V1 s(0.00%)p1.00(99.69%)d0.00(0.00%)	0.000000221	α	5.246070203
27	RY*(9)V1 s(0.00%)p1.00(99.86%)d0.00(0.00%)	0.000000020	α	5.057976867
28	RY*(10)V1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000001	α	13.953341682
29	RY*(11)V1 s(0.00%)p1.00(99.99%)d0.00(0.00%)	0.000000012	α	9.829863955
30	RY*(12)V1 s(0.00%)p1.00(97.33%)d0.00(0.00%)	0.000000004	α	0.481509757
31	RY*(13)V1 s(0.00%)p1.00(99.98%)d0.00(0.00%)	0.000000027	α	5.287427252
32	RY*(14)V1 s(0.00%)p1.00(99.96%)d0.00(0.00%)	0.000000000	α	5.115861354
33	RY*(15)V1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000001	α	13.976765502
34	RY*(16)V1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	α	9.834975604
35	RY*(17)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	-0.050930943
36	RY*(18)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	0.253569670
37	RY*(19)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	1.033159789
38	RY*(20)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	4.110378032
39	RY*(21)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	0.241691304
40	RY*(22)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	1.026657707
41	RY*(23)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	4.112925231
42	RY*(24)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	0.230474899
43	RY*(25)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	1.008164390
44	RY*(26)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	4.084920389
45	RY*(27)V1 s(0.35%)p0.00(0.00%)d99.99(99.65%)	0.000000009	α	0.185647963
46	RY*(28)V1 s(0.03%)p0.00(0.00%)d99.99(99.97%)	0.000000048	α	0.958114766
47	RY*(29)V1 s(0.02%)p0.00(0.00%)d99.99(99.98%)	0.000000146	α	4.032753685
48	RY*(30)V1 s(98.20%)p0.00(0.00%)d0.02(1.80%)	0.000000006	α	0.151929288
49	RY*(31)V1 s(0.28%)p0.00(0.00%)d99.99(99.72%)	0.000000001	α	0.220797346
50	RY*(32)V1 s(0.05%)p0.00(0.00%)d99.99(99.95%)	0.000000020	α	0.952906398
51	RY*(33)V1 s(0.01%)p0.00(0.00%)d1.00(99.99%)	0.000000095	α	4.120012465
52	RY*(34)V1 s(99.90%)p0.00(0.00%)d0.00(0.10%)	0.000000056	α	13.932660832
53	RY*(35)V1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000038	α	2.935841500
54	RY*(36)V1 s(0.00%)p1.00(8.83%)d0.00(0.00%)	0.000000006	α	2.278895940
55	RY*(37)V1 s(0.00%)p1.00(4.86%)d0.00(0.00%)	0.000000008	α	3.086432227
56	RY*(38)V1 s(0.00%)p0.00(0.01%)d0.00(0.00%)	0.000000005	α	2.429256943
57	RY*(39)V1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000002	α	2.987910231
58	RY*(40)V1 s(0.00%)p1.00(0.44%)d0.00(0.00%)	0.000000006	α	2.436031950
59	RY*(41)V1 s(0.00%)p0.00(0.01%)d0.00(0.00%)	0.000000002	α	2.911010430
60	RY*(42)V1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	2.433652211
61	RY*(43)V1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	2.984353105
62	RY*(44)V1 s(0.00%)p1.00(2.11%)d0.00(0.00%)	0.000000004	α	2.385232244
63	RY*(45)V1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000001	α	2.978057885
64	RY*(46)V1 s(100.00%)	0.000000000	α	505.325261800
65	RY*(47)V1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000027	α	2.985394521
66	CR(1)V1 s(100.00%)	1.000000000	β	-196.795020380
67	CR(2)V1 s(100.00%)	0.999999829	β	-22.095500337
68	CR(3)V1 s(100.00%)	0.999956893	β	-2.556168318
69	CR(4)V1 s(0.00%)p1.00(100.00%)	0.999999927	β	-18.635714662
70	CR(5)V1 s(0.00%)p1.00(100.00%)	0.999971219	β	-1.573688080
71	CR(6)V1 s(0.00%)p1.00(100.00%)	0.999999918	β	-18.640167449
72	CR(7)V1 s(0.00%)p1.00(100.00%)	0.999968499	β	-1.564230863
73	CR(8)V1 s(0.00%)p1.00(100.00%)	0.999999818	β	-18.625813133
74	CR(9)V1 s(0.00%)p1.00(100.00%)	0.999937953	β	-1.549994523
75	LP(1)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.000000000	β	-0.163231607
76	LP(2)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.000000000	β	-0.130779530
77	LP(3)V1 s(22.90%)p0.00(0.00%)d3.37(77.10%)	0.000062047	β	1.391082346
78	LP*(4)V1 s(0.00%)p1.00(2.29%)d0.00(0.00%)	0.000043107	β	0.294449791
79	LP*(5)V1 s(0.00%)p1.00(2.90%)d0.00(0.00%)	0.000028783	β	1.177004758
80	LP*(6)V1 s(1.11%)p0.00(0.00%)d89.14(98.89%)	0.000031514	β	2.812906059
81	LP*(7)V1 s(0.00%)p1.00(84.28%)d0.00(0.00%)	-0.000000000	β	236.916903507
82	LP*(8)V1 s(99.98%)p0.00(0.00%)d0.00(0.02%)	-0.000000000	β	23.286267121
83	LP*(9)V1 s(100.00%)	0.000000006	β	0.157684889
84	RY*(1)V1 s(100.00%)	0.000000055	β	5.295330314
85	RY*(2)V1 s(77.16%)p0.00(0.00%)d0.30(22.84%)	0.000000004	β	5.093250703
86	RY*(3)V1 s(0.00%)p1.00(99.97%)d0.00(0.00%)	0.000000000	β	13.978391310
87	RY*(4)V1 s(0.00%)p1.00(99.96%)d0.00(0.00%)	0.000000001	β	9.835691114
88	RY*(5)V1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000022	β	0.768343375
89	RY*(6)V1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000038	β	5.195572460
90	RY*(7)V1 s(0.00%)p1.00(97.55%)d0.00(0.00%)	0.000000001	β	5.143935901
91	RY*(8)V1 s(0.00%)p1.00(99.69%)d0.00(0.00%)	0.000000001	β	13.982311058
92	RY*(9)V1 s(0.00%)p1.00(99.86%)d0.00(0.00%)	0.000000000	β	9.837101084
93	RY*(10)V1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000056	β	13.964219013
94	RY*(11)V1 s(0.00%)p1.00(99.99%)d0.00(0.00%)	0.000000142	β	5.314843762
95	RY*(12)V1 s(0.00%)p1.00(97.33%)d0.00(0.00%)	0.000000010	β	5.100786045
96	RY*(13)V1 s(0.00%)p1.00(99.98%)d0.00(0.00%)	0.000000000	β	13.996667368
97	RY*(14)V1 s(0.00%)p1.00(99.96%)d0.00(0.00%)	0.000000006	β	9.846005775
98	RY*(15)V1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	β	-0.032685466
99	RY*(16)V1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	β	0.251732246
100	RY*(17)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	β	1.037977082
101	RY*(18)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	β	4.125829247
102	RY*(19)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	β	0.242625458
103	RY*(20)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	β	1.030717784
104	RY*(21)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	β	4.134139627
105	RY*(22)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	β	0.000961116
106	RY*(23)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	β	0.265044044
107	RY*(24)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	β	1.057353909
108	RY*(25)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	β	4.156180445
109	RY*(26)V1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000008	β	-0.015086399
110	RY*(27)V1 s(0.35%)p0.00(0.00%)d99.99(99.65%)	0.000000000	β	0.257720674
111	RY*(28)V1 s(0.03%)p0.00(0.00%)d99.99(99.97%)	0.000000000	β	0.994148596
112	RY*(29)V1 s(0.02%)p0.00(0.00%)d99.99(99.98%)	0.000000007	β	4.083397151
113	RY*(30)V1 s(98.20%)p0.00(0.00%)d0.02(1.80%)	0.000000000	β	505.324197813
114	RY*(31)V1 s(0.28%)p0.00(0.00%)d99.99(99.72%)	0.000000001	β	0.201494124
115	RY*(32)V1 s(0.05%)p0.00(0.00%)d99.99(99.95%)	0.000000013	β	0.937449886
116	RY*(33)V1 s(0.01%)p0.00(0.00%)d1.00(99.99%)	0.000000074	β	4.151223052
117	RY*(34)V1 s(99.90%)p0.00(0.00%)d0.00(0.10%)	0.000000000	β	1.739665734
118	RY*(35)V1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000008	β	3.090458833
119	RY*(36)V1 s(0.00%)p1.00(8.83%)d0.00(0.00%)	0.000000005	β	2.339357989
120	RY*(37)V1 s(0.00%)p1.00(4.86%)d0.00(0.00%)	0.000000006	β	3.034249913
121	RY*(38)V1 s(0.00%)p0.00(0.01%)d0.00(0.00%)	0.000000006	β	3.918849025
122	RY*(39)V1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000007	β	2.155250503
123	RY*(40)V1 s(0.00%)p1.00(0.44%)d0.00(0.00%)	0.000000003	β	1.913580788
124	RY*(41)V1 s(0.00%)p0.00(0.01%)d0.00(0.00%)	0.000000013	β	3.323051307
125	RY*(42)V1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	2.478539938
126	RY*(43)V1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	3.001274145
127	RY*(44)V1 s(0.00%)p1.00(2.11%)d0.00(0.00%)	0.000000000	β	2.305001496
128	RY*(45)V1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	2.542953436
129	RY*(46)V1 s(100.00%)	0.000000000	β	2.625550360
130	RY*(47)V1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	3.152676639

					Show all
Orbital	Description	NHOs	Occupancy	Spin	Energy ()	Actions
1	CR(1)V1	1504	1.000000000	α	-196.793766630
2	CR(2)V1	1505	0.999999612	α	-22.114684151
3	CR(3)V1	1506	0.999961275	α	-2.620578673
4	CR(4)V1	1507	0.999999942	α	-18.645375230
5	CR(5)V1	1508	0.999976669	α	-1.619952522
6	CR(6)V1	1509	0.999999680	α	-18.664021914
7	CR(7)V1	1510	0.999922895	α	-1.658638829
8	CR(8)V1	1511	0.999999921	α	-18.641081146
9	CR(9)V1	1512	0.999887245	α	-1.615373663
10	LP(1)V1	1513	1.000000000	α	-0.157268667
11	LP(2)V1	1514	1.000000000	α	-0.190251955
12	LP(3)V1	1515	1.000000000	α	-0.185073493
13	LP*(4)V1	1516	0.000112755	α	2.508452406
14	LP*(5)V1	1517	0.000077105	α	2.407965233
15	LP*(6)V1	1518	0.000038725	α	0.292373705
16	LP*(7)V1	1519	0.000023331	α	0.506231830
17	LP*(8)V1	1520	0.000000006	α	3.899138653
18	LP*(9)V1	1521	0.000000000	α	236.907820300
19	RY*(1)V1	1522	-0.000000000	α	23.274306787
20	RY*(2)V1	1523	0.000000000	α	-0.107763189
21	RY*(3)V1	1524	0.000000037	α	5.268431092
22	RY*(4)V1	1525	0.000000000	α	5.192283468
23	RY*(5)V1	1526	0.000000001	α	13.974444537
24	RY*(6)V1	1527	0.000000000	α	9.828541917
25	RY*(7)V1	1528	0.000000032	α	0.445038933
26	RY*(8)V1	1529	0.000000221	α	5.246070203
27	RY*(9)V1	1530	0.000000020	α	5.057976867
28	RY*(10)V1	1531	0.000000001	α	13.953341682
29	RY*(11)V1	1532	0.000000012	α	9.829863955
30	RY*(12)V1	1533	0.000000004	α	0.481509757
31	RY*(13)V1	1534	0.000000027	α	5.287427252
32	RY*(14)V1	1535	0.000000000	α	5.115861354
33	RY*(15)V1	1536	0.000000001	α	13.976765502
34	RY*(16)V1	1537	0.000000000	α	9.834975604
35	RY*(17)V1	1538	0.000000000	α	-0.050930943
36	RY*(18)V1	1539	0.000000000	α	0.253569670
37	RY*(19)V1	1540	0.000000000	α	1.033159789
38	RY*(20)V1	1541	0.000000000	α	4.110378032
39	RY*(21)V1	1542	0.000000000	α	0.241691304
40	RY*(22)V1	1543	0.000000000	α	1.026657707
41	RY*(23)V1	1544	0.000000000	α	4.112925231
42	RY*(24)V1	1545	0.000000000	α	0.230474899
43	RY*(25)V1	1546	0.000000000	α	1.008164390
44	RY*(26)V1	1547	0.000000000	α	4.084920389
45	RY*(27)V1	1548	0.000000009	α	0.185647963
46	RY*(28)V1	1549	0.000000048	α	0.958114766
47	RY*(29)V1	1550	0.000000146	α	4.032753685
48	RY*(30)V1	1551	0.000000006	α	0.151929288
49	RY*(31)V1	1552	0.000000001	α	0.220797346
50	RY*(32)V1	1553	0.000000020	α	0.952906398
51	RY*(33)V1	1554	0.000000095	α	4.120012465
52	RY*(34)V1	1555	0.000000056	α	13.932660832
53	RY*(35)V1	1556	0.000000038	α	2.935841500
54	RY*(36)V1	1557	0.000000006	α	2.278895940
55	RY*(37)V1	1558	0.000000008	α	3.086432227
56	RY*(38)V1	1559	0.000000005	α	2.429256943
57	RY*(39)V1	1560	0.000000002	α	2.987910231
58	RY*(40)V1	1561	0.000000006	α	2.436031950
59	RY*(41)V1	1562	0.000000002	α	2.911010430
60	RY*(42)V1	1563	0.000000000	α	2.433652211
61	RY*(43)V1	1564	0.000000000	α	2.984353105
62	RY*(44)V1	1565	0.000000004	α	2.385232244
63	RY*(45)V1	1566	0.000000001	α	2.978057885
64	RY*(46)V1	1567	0.000000000	α	505.325261800
65	RY*(47)V1	1568	0.000000027	α	2.985394521
66	CR(1)V1	1569	1.000000000	β	-196.795020380
67	CR(2)V1	1570	0.999999829	β	-22.095500337
68	CR(3)V1	1571	0.999956893	β	-2.556168318
69	CR(4)V1	1572	0.999999927	β	-18.635714662
70	CR(5)V1	1573	0.999971219	β	-1.573688080
71	CR(6)V1	1574	0.999999918	β	-18.640167449
72	CR(7)V1	1575	0.999968499	β	-1.564230863
73	CR(8)V1	1576	0.999999818	β	-18.625813133
74	CR(9)V1	1577	0.999937953	β	-1.549994523
75	LP(1)V1	1578	1.000000000	β	-0.163231607
76	LP(2)V1	1579	1.000000000	β	-0.130779530
77	LP(3)V1	1580	0.000062047	β	1.391082346
78	LP*(4)V1	1581	0.000043107	β	0.294449791
79	LP*(5)V1	1582	0.000028783	β	1.177004758
80	LP*(6)V1	1583	0.000031514	β	2.812906059
81	LP*(7)V1	1584	-0.000000000	β	236.916903507
82	LP*(8)V1	1585	-0.000000000	β	23.286267121
83	LP*(9)V1	1586	0.000000006	β	0.157684889
84	RY*(1)V1	1587	0.000000055	β	5.295330314
85	RY*(2)V1	1588	0.000000004	β	5.093250703
86	RY*(3)V1	1589	0.000000000	β	13.978391310
87	RY*(4)V1	1590	0.000000001	β	9.835691114
88	RY*(5)V1	1591	0.000000022	β	0.768343375
89	RY*(6)V1	1592	0.000000038	β	5.195572460
90	RY*(7)V1	1593	0.000000001	β	5.143935901
91	RY*(8)V1	1594	0.000000001	β	13.982311058
92	RY*(9)V1	1595	0.000000000	β	9.837101084
93	RY*(10)V1	1596	0.000000056	β	13.964219013
94	RY*(11)V1	1597	0.000000142	β	5.314843762
95	RY*(12)V1	1598	0.000000010	β	5.100786045
96	RY*(13)V1	1599	0.000000000	β	13.996667368
97	RY*(14)V1	1600	0.000000006	β	9.846005775
98	RY*(15)V1	1601	0.000000000	β	-0.032685466
99	RY*(16)V1	1602	0.000000000	β	0.251732246
100	RY*(17)V1	1603	0.000000000	β	1.037977082
101	RY*(18)V1	1604	0.000000000	β	4.125829247
102	RY*(19)V1	1605	-0.000000000	β	0.242625458
103	RY*(20)V1	1606	-0.000000000	β	1.030717784
104	RY*(21)V1	1607	0.000000000	β	4.134139627
105	RY*(22)V1	1608	0.000000000	β	0.000961116
106	RY*(23)V1	1609	0.000000000	β	0.265044044
107	RY*(24)V1	1610	0.000000000	β	1.057353909
108	RY*(25)V1	1611	0.000000000	β	4.156180445
109	RY*(26)V1	1612	0.000000008	β	-0.015086399
110	RY*(27)V1	1613	0.000000000	β	0.257720674
111	RY*(28)V1	1614	0.000000000	β	0.994148596
112	RY*(29)V1	1615	0.000000007	β	4.083397151
113	RY*(30)V1	1616	0.000000000	β	505.324197813
114	RY*(31)V1	1617	0.000000001	β	0.201494124
115	RY*(32)V1	1618	0.000000013	β	0.937449886
116	RY*(33)V1	1619	0.000000074	β	4.151223052
117	RY*(34)V1	1620	0.000000000	β	1.739665734
118	RY*(35)V1	1621	0.000000008	β	3.090458833
119	RY*(36)V1	1622	0.000000005	β	2.339357989
120	RY*(37)V1	1623	0.000000006	β	3.034249913
121	RY*(38)V1	1624	0.000000006	β	3.918849025
122	RY*(39)V1	1625	0.000000007	β	2.155250503
123	RY*(40)V1	1626	0.000000003	β	1.913580788
124	RY*(41)V1	1627	0.000000013	β	3.323051307
125	RY*(42)V1	1628	0.000000000	β	2.478539938
126	RY*(43)V1	1629	0.000000000	β	3.001274145
127	RY*(44)V1	1630	0.000000000	β	2.305001496
128	RY*(45)V1	1631	0.000000000	β	2.542953436
129	RY*(46)V1	1632	0.000000000	β	2.625550360
130	RY*(47)V1	1633	0.000000000	β	3.152676639

THE RARE EARTHS PERPLEX US IN OUR RESEARCHES, BAFFLE US IN OUR SPECULATIONS, AND HAUNT US IN OUR VERY DREAMS. THEY STRETCH LIKE AN UNKNOWN BEFORE US, MOCKING, MYSTIFYING, AND MURMURING STRANGE REVELATIONS AND POSSIBILITIES. -- SIR WILLIAM CROOKE, 1832-1919