WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Method	B3LYP
Stoichiometry	Cu(2)
Symmetry	OH
Basis	6-311+G(2d,p)
UB3LYP Energy	-1640.47222748 Hartree
Dipole Moment	0.0000 Debye
Server	class (34158)
CPU time	3 sec

Atom	Symbol	Charge
1	Cu	-0.000000

					Show all
Orbital	Symmetry	Occupancy	Spin	Energy ()	Actions
1	A1G	1	α	-322.95509
2	A1G	1	α	-38.7435
3	T1U	1	α	-33.9657
4	T1U	1	α	-33.9657
5	T1U	1	α	-33.9657
6	A1G	1	α	-4.26331
7	T1U	1	α	-2.75879
8	T1U	1	α	-2.75879
9	T1U	1	α	-2.75879
10	EG	1	α	-0.25749
11	EG	1	α	-0.25749
12	T2G	1	α	-0.25749
13	T2G	1	α	-0.25749
14	T2G	1	α	-0.25749
15	A1G	1	α	-0.19535
16	T1U	0	α	-0.01359
17	T1U	0	α	-0.01359
18	T1U	0	α	-0.01359
19	A1G	0	α	0.00797
20	A1G	0	α	0.15636
21	T1U	0	α	0.22044
22	T1U	0	α	0.22044
23	T1U	0	α	0.22044
24	T2G	0	α	0.33112
25	T2G	0	α	0.33112
26	T2G	0	α	0.33112
27	EG	0	α	0.33112
28	EG	0	α	0.33112
29	EG	0	α	1.76036
30	T2G	0	α	1.76036
31	T2G	0	α	1.76036
32	EG	0	α	1.76036
33	T2G	0	α	1.76036
34	T1U	0	α	1.89206
35	T1U	0	α	1.89206
36	T1U	0	α	1.89206
37	A2U	0	α	2.18312
38	-	0	α	2.18312
39	-	0	α	2.18312
40	-	0	α	2.18312
41	-	0	α	2.18312
42	-	0	α	2.18312
43	-	0	α	2.18312
44	A1G	0	α	3.23246
45	EG	0	α	7.39822
46	EG	0	α	7.39822
47	T2G	0	α	7.39822
48	T2G	0	α	7.39822
49	T2G	0	α	7.39822
50	-	0	α	8.08288
51	-	0	α	8.08288
52	-	0	α	8.08288
53	-	0	α	8.08288
54	-	0	α	8.08288
55	-	0	α	8.08288
56	A2U	0	α	8.08288
57	T1U	0	α	9.749
58	T1U	0	α	9.749
59	T1U	0	α	9.749
60	A1G	0	α	32.00409
61	T1U	0	α	43.10393
62	T1U	0	α	43.10393
63	T1U	0	α	43.10393
64	A1G	0	α	184.0614
65	A1G	0	α	979.3148
66	A1G	1	β	-322.95373
67	A1G	1	β	-38.74364
68	T1U	1	β	-33.96604
69	T1U	1	β	-33.96604
70	T1U	1	β	-33.96604
71	A1G	1	β	-4.26263
72	T1U	1	β	-2.75923
73	T1U	1	β	-2.75923
74	T1U	1	β	-2.75923
75	T2G	1	β	-0.25436
76	T2G	1	β	-0.25436
77	T2G	1	β	-0.25436
78	EG	1	β	-0.25436
79	EG	1	β	-0.25436
80	A1G	0	β	-0.12101
81	T1U	0	β	0.00424
82	T1U	0	β	0.00424
83	T1U	0	β	0.00424
84	A1G	0	β	0.01523
85	A1G	0	β	0.16791
86	T1U	0	β	0.23936
87	T1U	0	β	0.23936
88	T1U	0	β	0.23936
89	EG	0	β	0.34804
90	EG	0	β	0.34804
91	T2G	0	β	0.34804
92	T2G	0	β	0.34804
93	T2G	0	β	0.34804
94	T2G	0	β	1.77452
95	T2G	0	β	1.77452
96	EG	0	β	1.77452
97	T2G	0	β	1.77452
98	EG	0	β	1.77452
99	T1U	0	β	1.90354
100	T1U	0	β	1.90354
101	T1U	0	β	1.90354
102	-	0	β	2.19983
103	-	0	β	2.19983
104	-	0	β	2.19983
105	-	0	β	2.19983
106	-	0	β	2.19983
107	-	0	β	2.19983
108	A2U	0	β	2.19983
109	A1G	0	β	3.24098
110	T2G	0	β	7.40008
111	T2G	0	β	7.40008
112	T2G	0	β	7.40008
113	EG	0	β	7.40008
114	EG	0	β	7.40008
115	A2U	0	β	8.08337
116	-	0	β	8.08337
117	-	0	β	8.08337
118	-	0	β	8.08337
119	-	0	β	8.08337
120	-	0	β	8.08337
121	-	0	β	8.08337
122	T1U	0	β	9.75119
123	T1U	0	β	9.75119
124	T1U	0	β	9.75119
125	A1G	0	β	32.00453
126	T1U	0	β	43.10346
127	T1U	0	β	43.10346
128	T1U	0	β	43.10346
129	A1G	0	β	184.06204
130	A1G	0	β	979.31622
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	Cu	-0.50000

Atom	Symbol	Charge
1	Cu	0.50000

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	Cu1 Cor(1S)	1.000000000	-	-322.735367782
2	Cu1 Cor(2S)	1.000000000	-	-38.649625487
3	Cu1 Val(3S)	0.999999989	-	-4.576916850
4	Cu1 Cor(4S)	1.000000000	-	-0.195354139
5	Cu1 Ryd(9S)	-0.000000000	-	326.120359890
6	Cu1 Ryd(6S)	0.000000000	-	6.744362369
7	Cu1 Ryd(8S)	-0.000000000	-	307.464556545
8	Cu1 Ryd(10S)	0.000000000	-	529.426244397
9	Cu1 Ryd(7S)	0.000000000	-	25.167965916
10	Cu1 Ryd(5S)	0.000000011	-	3.853582906
11	Cu1 Cor(2p)	1.000000000	-	-33.965378900
12	Cu1 Cor(3p)	0.999999413	-	-2.759104853
13	Cu1 Val(5p)	0.000000587	-	0.480877247
14	Cu1 Ryd(7p)	-0.000000000	-	21.485525072
15	Cu1 Ryd(4p)	0.000000000	-	0.312919895
16	Cu1 Ryd(6p)	0.000000000	-	10.495248667
17	Cu1 Ryd(8p)	0.000000000	-	22.177272140
18	Cu1 Cor(2p)	1.000000000	-	-33.965378900
19	Cu1 Cor(3p)	0.999999413	-	-2.759104852
20	Cu1 Val(5p)	0.000000587	-	0.480877248
21	Cu1 Ryd(7p)	-0.000000000	-	21.485525074
22	Cu1 Ryd(4p)	-0.000000000	-	0.312919895
23	Cu1 Ryd(6p)	-0.000000000	-	10.495248668
24	Cu1 Ryd(8p)	0.000000000	-	22.177272141
25	Cu1 Cor(2p)	1.000000000	-	-33.965378900
26	Cu1 Cor(3p)	0.999999413	-	-2.759104852
27	Cu1 Val(5p)	0.000000587	-	0.480877247
28	Cu1 Ryd(7p)	-0.000000000	-	21.485525073
29	Cu1 Ryd(4p)	-0.000000000	-	0.312919895
30	Cu1 Ryd(6p)	-0.000000000	-	10.495248668
31	Cu1 Ryd(8p)	0.000000000	-	22.177272141
32	Cu1 Val(3d)	0.999953272	-	-0.257457867
33	Cu1 Ryd(4d)	0.000046728	-	0.480576790
34	Cu1 Ryd(6d)	-0.000000000	-	7.300068975
35	Cu1 Ryd(5d)	-0.000000000	-	1.709017734
36	Cu1 Val(3d)	0.999953272	-	-0.257457867
37	Cu1 Ryd(4d)	0.000046728	-	0.480576790
38	Cu1 Ryd(6d)	-0.000000000	-	7.300068974
39	Cu1 Ryd(5d)	-0.000000000	-	1.709017734
40	Cu1 Val(3d)	0.999953272	-	-0.257457867
41	Cu1 Ryd(4d)	0.000046728	-	0.480576791
42	Cu1 Ryd(6d)	-0.000000000	-	7.300068975
43	Cu1 Ryd(5d)	-0.000000000	-	1.709017734
44	Cu1 Val(3d)	0.999953272	-	-0.257457871
45	Cu1 Ryd(4d)	0.000046728	-	0.480576790
46	Cu1 Ryd(6d)	-0.000000000	-	7.300068973
47	Cu1 Ryd(5d)	0.000000000	-	1.709017733
48	Cu1 Val(3d)	0.999953272	-	-0.257457871
49	Cu1 Ryd(4d)	0.000046728	-	0.480576790
50	Cu1 Ryd(6d)	0.000000000	-	7.300068973
51	Cu1 Ryd(5d)	0.000000000	-	1.709017734
52	Cu1 Ryd(4f)	0.000000000	-	2.547098594
53	Cu1 Ryd(5f)	0.000000000	-	7.718904675
54	Cu1 Ryd(4f)	0.000000000	-	2.547098593
55	Cu1 Ryd(5f)	0.000000000	-	7.718904675
56	Cu1 Ryd(4f)	0.000000000	-	2.547098594
57	Cu1 Ryd(5f)	0.000000000	-	7.718904676
58	Cu1 Ryd(4f)	0.000000000	-	2.547098593
59	Cu1 Ryd(5f)	0.000000000	-	7.718904676
60	Cu1 Ryd(4f)	0.000000000	-	2.547098593
61	Cu1 Ryd(5f)	0.000000000	-	7.718904677
62	Cu1 Ryd(4f)	0.000000000	-	2.547098594
63	Cu1 Ryd(5f)	0.000000000	-	7.718904675
64	Cu1 Ryd(4f)	0.000000000	-	2.547098594
65	Cu1 Ryd(5f)	0.000000000	-	7.718904675

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	CR(1)Cu1 s(100.00%)	1.000000000	α	-322.735367782
2	CR(2)Cu1 s(100.00%)	1.000000000	α	-38.649625487
3	CR(3)Cu1 s(100.00%)	1.000000000	α	-0.195354139
4	CR(4)Cu1 s(0.00%)p1.00(100.00%)	1.000000000	α	-33.965378900
5	CR(5)Cu1 s(0.00%)p1.00(100.00%)	0.999999413	α	-2.759104853
6	CR(6)Cu1 s(0.00%)p1.00(100.00%)	1.000000000	α	-33.965378900
7	CR(7)Cu1 s(0.00%)p1.00(100.00%)	0.999999413	α	-2.759104852
8	CR(8)Cu1 s(0.00%)p1.00(100.00%)	1.000000000	α	-33.965378900
9	CR(9)Cu1 s(0.00%)p1.00(100.00%)	0.999999413	α	-2.759104852
10	LP(1)Cu1 s(100.00%)	1.000000000	α	-4.576916946
11	LP(2)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.000000000	α	-0.257492357
12	LP(3)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.000000000	α	-0.257492357
13	LP(4)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.000000000	α	-0.257492357
14	LP(5)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.000000000	α	-0.257492361
15	LP(6)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.000000000	α	-0.257492361
16	LP*(7)Cu1 s(100.00%)	-0.000000000	α	326.120359890
17	LP*(8)Cu1 s(100.00%)	0.000000000	α	6.744362369
18	LP*(9)Cu1 s(100.00%)	-0.000000000	α	307.464556545
19	RY*(1)Cu1 s(100.00%)	0.000000000	α	529.426244397
20	RY*(2)Cu1 s(100.00%)	0.000000000	α	25.167965916
21	RY*(3)Cu1 s(100.00%)	0.000000000	α	3.853583002
22	RY*(4)Cu1 s(0.00%)p1.00(100.00%)	0.000000587	α	0.480877247
23	RY*(5)Cu1 s(0.00%)p1.00(100.00%)	-0.000000000	α	21.485525072
24	RY*(6)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	α	0.312919895
25	RY*(7)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	α	10.495248667
26	RY*(8)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	α	22.177272140
27	RY*(9)Cu1 s(0.00%)p1.00(100.00%)	0.000000587	α	0.480877248
28	RY*(10)Cu1 s(0.00%)p1.00(100.00%)	-0.000000000	α	21.485525074
29	RY*(11)Cu1 s(0.00%)p1.00(100.00%)	-0.000000000	α	0.312919895
30	RY*(12)Cu1 s(0.00%)p1.00(100.00%)	-0.000000000	α	10.495248668
31	RY*(13)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	α	22.177272141
32	RY*(14)Cu1 s(0.00%)p1.00(100.00%)	0.000000587	α	0.480877247
33	RY*(15)Cu1 s(0.00%)p1.00(100.00%)	-0.000000000	α	21.485525073
34	RY*(16)Cu1 s(0.00%)p1.00(100.00%)	-0.000000000	α	0.312919895
35	RY*(17)Cu1 s(0.00%)p1.00(100.00%)	-0.000000000	α	10.495248668
36	RY*(18)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	α	22.177272141
37	RY*(19)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	α	0.480611281
38	RY*(20)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	α	7.300068975
39	RY*(21)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	1.709017734
40	RY*(22)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	0.480611280
41	RY*(23)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	α	7.300068974
42	RY*(24)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	α	1.709017734
43	RY*(25)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	α	0.480611281
44	RY*(26)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	α	7.300068975
45	RY*(27)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	α	1.709017734
46	RY*(28)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	0.480611280
47	RY*(29)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	α	7.300068973
48	RY*(30)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	α	1.709017733
49	RY*(31)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	α	0.480611280
50	RY*(32)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	7.300068973
51	RY*(33)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	α	1.709017734
52	RY*(34)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	2.547098594
53	RY*(35)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	7.718904675
54	RY*(36)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	2.547098593
55	RY*(37)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	7.718904675
56	RY*(38)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	2.547098594
57	RY*(39)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	7.718904676
58	RY*(40)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	2.547098593
59	RY*(41)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	7.718904676
60	RY*(42)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	2.547098593
61	RY*(43)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	7.718904677
62	RY*(44)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	2.547098594
63	RY*(45)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	7.718904675
64	RY*(46)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	2.547098594
65	RY*(47)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	7.718904675
66	CR(1)Cu1 s(100.00%)	1.000000000	β	-322.734025840
67	CR(2)Cu1 s(100.00%)	1.000000000	β	-38.649954672
68	CR(3)Cu1 s(100.00%)	0.999999989	β	-4.576021961
69	CR(4)Cu1 s(0.00%)p1.00(100.00%)	1.000000000	β	-33.965714355
70	CR(5)Cu1 s(0.00%)p1.00(100.00%)	0.999999413	β	-2.759552038
71	CR(6)Cu1 s(0.00%)p1.00(100.00%)	1.000000000	β	-33.965714354
72	CR(7)Cu1 s(0.00%)p1.00(100.00%)	0.999999413	β	-2.759552037
73	CR(8)Cu1 s(0.00%)p1.00(100.00%)	1.000000000	β	-33.965714355
74	CR(9)Cu1 s(0.00%)p1.00(100.00%)	0.999999413	β	-2.759552038
75	LP(1)Cu1 s(100.00%)	1.000000000	β	-0.254355573
76	LP(2)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.000000000	β	-0.254355574
77	LP(3)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.000000000	β	-0.254355572
78	LP(4)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.000000000	β	-0.254355569
79	LP(5)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.000000000	β	-0.254355569
80	LP(6)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	β	-0.119722340
81	LP*(7)Cu1 s(100.00%)	0.000000000	β	326.125654055
82	LP*(8)Cu1 s(100.00%)	0.000000000	β	6.749791395
83	LP*(9)Cu1 s(100.00%)	0.000000000	β	307.469537628
84	RY*(1)Cu1 s(100.00%)	0.000000000	β	529.427761476
85	RY*(2)Cu1 s(100.00%)	0.000000000	β	25.171490206
86	RY*(3)Cu1 s(100.00%)	0.000000011	β	3.861384283
87	RY*(4)Cu1 s(0.00%)p1.00(100.00%)	0.000000587	β	0.509559843
88	RY*(5)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	β	21.491578449
89	RY*(6)Cu1 s(0.00%)p1.00(100.00%)	-0.000000000	β	0.318310122
90	RY*(7)Cu1 s(0.00%)p1.00(100.00%)	-0.000000000	β	10.505706560
91	RY*(8)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	β	22.176638728
92	RY*(9)Cu1 s(0.00%)p1.00(100.00%)	0.000000587	β	0.509559844
93	RY*(10)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	β	21.491578450
94	RY*(11)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	β	0.318310123
95	RY*(12)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	β	10.505706561
96	RY*(13)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	β	22.176638729
97	RY*(14)Cu1 s(0.00%)p1.00(100.00%)	0.000000587	β	0.509559843
98	RY*(15)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	β	21.491578450
99	RY*(16)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	β	0.318310123
100	RY*(17)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	β	10.505706561
101	RY*(18)Cu1 s(0.00%)p1.00(100.00%)	0.000000000	β	22.176638729
102	RY*(19)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	β	0.498689333
103	RY*(20)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	β	7.303094551
104	RY*(21)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	β	1.720857782
105	RY*(22)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	β	0.498689333
106	RY*(23)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	β	7.303094551
107	RY*(24)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	β	1.720857782
108	RY*(25)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	β	0.498689334
109	RY*(26)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	β	7.303094552
110	RY*(27)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	β	1.720857782
111	RY*(28)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	β	0.498689333
112	RY*(29)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	β	7.303094553
113	RY*(30)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	β	1.720857782
114	RY*(31)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	β	0.498689333
115	RY*(32)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	β	7.303094553
116	RY*(33)Cu1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	β	1.720857782
117	RY*(34)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	2.565767778
118	RY*(35)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	7.717432954
119	RY*(36)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	2.565767778
120	RY*(37)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	7.717432953
121	RY*(38)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	2.565767778
122	RY*(39)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	7.717432954
123	RY*(40)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	2.565767778
124	RY*(41)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	7.717432953
125	RY*(42)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	2.565767779
126	RY*(43)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	7.717432951
127	RY*(44)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	2.565767778
128	RY*(45)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	7.717432953
129	RY*(46)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	2.565767778
130	RY*(47)Cu1 s(0.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	β	7.717432953

					Show all
Orbital	Description	NHOs	Occupancy	Spin	Energy ()	Actions
1	CR(1)Cu1	3324	1.000000000	α	-322.735367782
2	CR(2)Cu1	3325	1.000000000	α	-38.649625487
3	CR(3)Cu1	3326	1.000000000	α	-0.195354139
4	CR(4)Cu1	3327	1.000000000	α	-33.965378900
5	CR(5)Cu1	3328	0.999999413	α	-2.759104853
6	CR(6)Cu1	3329	1.000000000	α	-33.965378900
7	CR(7)Cu1	3330	0.999999413	α	-2.759104852
8	CR(8)Cu1	3331	1.000000000	α	-33.965378900
9	CR(9)Cu1	3332	0.999999413	α	-2.759104852
10	LP(1)Cu1	3333	1.000000000	α	-4.576916946
11	LP(2)Cu1	3334	1.000000000	α	-0.257492357
12	LP(3)Cu1	3335	1.000000000	α	-0.257492357
13	LP(4)Cu1	3336	1.000000000	α	-0.257492357
14	LP(5)Cu1	3337	1.000000000	α	-0.257492361
15	LP(6)Cu1	3338	1.000000000	α	-0.257492361
16	LP*(7)Cu1	3339	-0.000000000	α	326.120359890
17	LP*(8)Cu1	3340	0.000000000	α	6.744362369
18	LP*(9)Cu1	3341	-0.000000000	α	307.464556545
19	RY*(1)Cu1	3342	0.000000000	α	529.426244397
20	RY*(2)Cu1	3343	0.000000000	α	25.167965916
21	RY*(3)Cu1	3344	0.000000000	α	3.853583002
22	RY*(4)Cu1	3345	0.000000587	α	0.480877247
23	RY*(5)Cu1	3346	-0.000000000	α	21.485525072
24	RY*(6)Cu1	3347	0.000000000	α	0.312919895
25	RY*(7)Cu1	3348	0.000000000	α	10.495248667
26	RY*(8)Cu1	3349	0.000000000	α	22.177272140
27	RY*(9)Cu1	3350	0.000000587	α	0.480877248
28	RY*(10)Cu1	3351	-0.000000000	α	21.485525074
29	RY*(11)Cu1	3352	-0.000000000	α	0.312919895
30	RY*(12)Cu1	3353	-0.000000000	α	10.495248668
31	RY*(13)Cu1	3354	0.000000000	α	22.177272141
32	RY*(14)Cu1	3355	0.000000587	α	0.480877247
33	RY*(15)Cu1	3356	-0.000000000	α	21.485525073
34	RY*(16)Cu1	3357	-0.000000000	α	0.312919895
35	RY*(17)Cu1	3358	-0.000000000	α	10.495248668
36	RY*(18)Cu1	3359	0.000000000	α	22.177272141
37	RY*(19)Cu1	3360	0.000000000	α	0.480611281
38	RY*(20)Cu1	3361	-0.000000000	α	7.300068975
39	RY*(21)Cu1	3362	0.000000000	α	1.709017734
40	RY*(22)Cu1	3363	0.000000000	α	0.480611280
41	RY*(23)Cu1	3364	-0.000000000	α	7.300068974
42	RY*(24)Cu1	3365	-0.000000000	α	1.709017734
43	RY*(25)Cu1	3366	0.000000000	α	0.480611281
44	RY*(26)Cu1	3367	-0.000000000	α	7.300068975
45	RY*(27)Cu1	3368	-0.000000000	α	1.709017734
46	RY*(28)Cu1	3369	0.000000000	α	0.480611280
47	RY*(29)Cu1	3370	-0.000000000	α	7.300068973
48	RY*(30)Cu1	3371	-0.000000000	α	1.709017733
49	RY*(31)Cu1	3372	0.000000000	α	0.480611280
50	RY*(32)Cu1	3373	0.000000000	α	7.300068973
51	RY*(33)Cu1	3374	0.000000000	α	1.709017734
52	RY*(34)Cu1	3375	0.000000000	α	2.547098594
53	RY*(35)Cu1	3376	0.000000000	α	7.718904675
54	RY*(36)Cu1	3377	0.000000000	α	2.547098593
55	RY*(37)Cu1	3378	0.000000000	α	7.718904675
56	RY*(38)Cu1	3379	0.000000000	α	2.547098594
57	RY*(39)Cu1	3380	0.000000000	α	7.718904676
58	RY*(40)Cu1	3381	0.000000000	α	2.547098593
59	RY*(41)Cu1	3382	0.000000000	α	7.718904676
60	RY*(42)Cu1	3383	0.000000000	α	2.547098593
61	RY*(43)Cu1	3384	0.000000000	α	7.718904677
62	RY*(44)Cu1	3385	0.000000000	α	2.547098594
63	RY*(45)Cu1	3386	0.000000000	α	7.718904675
64	RY*(46)Cu1	3387	0.000000000	α	2.547098594
65	RY*(47)Cu1	3388	0.000000000	α	7.718904675
66	CR(1)Cu1	3389	1.000000000	β	-322.734025840
67	CR(2)Cu1	3390	1.000000000	β	-38.649954672
68	CR(3)Cu1	3391	0.999999989	β	-4.576021961
69	CR(4)Cu1	3392	1.000000000	β	-33.965714355
70	CR(5)Cu1	3393	0.999999413	β	-2.759552038
71	CR(6)Cu1	3394	1.000000000	β	-33.965714354
72	CR(7)Cu1	3395	0.999999413	β	-2.759552037
73	CR(8)Cu1	3396	1.000000000	β	-33.965714355
74	CR(9)Cu1	3397	0.999999413	β	-2.759552038
75	LP(1)Cu1	3398	1.000000000	β	-0.254355573
76	LP(2)Cu1	3399	1.000000000	β	-0.254355574
77	LP(3)Cu1	3400	1.000000000	β	-0.254355572
78	LP(4)Cu1	3401	1.000000000	β	-0.254355569
79	LP(5)Cu1	3402	1.000000000	β	-0.254355569
80	LP(6)Cu1	3403	-0.000000000	β	-0.119722340
81	LP*(7)Cu1	3404	0.000000000	β	326.125654055
82	LP*(8)Cu1	3405	0.000000000	β	6.749791395
83	LP*(9)Cu1	3406	0.000000000	β	307.469537628
84	RY*(1)Cu1	3407	0.000000000	β	529.427761476
85	RY*(2)Cu1	3408	0.000000000	β	25.171490206
86	RY*(3)Cu1	3409	0.000000011	β	3.861384283
87	RY*(4)Cu1	3410	0.000000587	β	0.509559843
88	RY*(5)Cu1	3411	0.000000000	β	21.491578449
89	RY*(6)Cu1	3412	-0.000000000	β	0.318310122
90	RY*(7)Cu1	3413	-0.000000000	β	10.505706560
91	RY*(8)Cu1	3414	0.000000000	β	22.176638728
92	RY*(9)Cu1	3415	0.000000587	β	0.509559844
93	RY*(10)Cu1	3416	0.000000000	β	21.491578450
94	RY*(11)Cu1	3417	0.000000000	β	0.318310123
95	RY*(12)Cu1	3418	0.000000000	β	10.505706561
96	RY*(13)Cu1	3419	0.000000000	β	22.176638729
97	RY*(14)Cu1	3420	0.000000587	β	0.509559843
98	RY*(15)Cu1	3421	0.000000000	β	21.491578450
99	RY*(16)Cu1	3422	0.000000000	β	0.318310123
100	RY*(17)Cu1	3423	0.000000000	β	10.505706561
101	RY*(18)Cu1	3424	0.000000000	β	22.176638729
102	RY*(19)Cu1	3425	0.000000000	β	0.498689333
103	RY*(20)Cu1	3426	-0.000000000	β	7.303094551
104	RY*(21)Cu1	3427	0.000000000	β	1.720857782
105	RY*(22)Cu1	3428	-0.000000000	β	0.498689333
106	RY*(23)Cu1	3429	0.000000000	β	7.303094551
107	RY*(24)Cu1	3430	-0.000000000	β	1.720857782
108	RY*(25)Cu1	3431	-0.000000000	β	0.498689334
109	RY*(26)Cu1	3432	0.000000000	β	7.303094552
110	RY*(27)Cu1	3433	0.000000000	β	1.720857782
111	RY*(28)Cu1	3434	-0.000000000	β	0.498689333
112	RY*(29)Cu1	3435	0.000000000	β	7.303094553
113	RY*(30)Cu1	3436	-0.000000000	β	1.720857782
114	RY*(31)Cu1	3437	-0.000000000	β	0.498689333
115	RY*(32)Cu1	3438	0.000000000	β	7.303094553
116	RY*(33)Cu1	3439	-0.000000000	β	1.720857782
117	RY*(34)Cu1	3440	0.000000000	β	2.565767778
118	RY*(35)Cu1	3441	0.000000000	β	7.717432954
119	RY*(36)Cu1	3442	0.000000000	β	2.565767778
120	RY*(37)Cu1	3443	0.000000000	β	7.717432953
121	RY*(38)Cu1	3444	0.000000000	β	2.565767778
122	RY*(39)Cu1	3445	0.000000000	β	7.717432954
123	RY*(40)Cu1	3446	0.000000000	β	2.565767778
124	RY*(41)Cu1	3447	0.000000000	β	7.717432953
125	RY*(42)Cu1	3448	0.000000000	β	2.565767779
126	RY*(43)Cu1	3449	0.000000000	β	7.717432951
127	RY*(44)Cu1	3450	0.000000000	β	2.565767778
128	RY*(45)Cu1	3451	0.000000000	β	7.717432953
129	RY*(46)Cu1	3452	0.000000000	β	2.565767778
130	RY*(47)Cu1	3453	0.000000000	β	7.717432953

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