WebMO Job Summary

Quantity	Value
Route	#N M062X/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C6H6
Symmetry	D6H
Basis	6-31G(d)
RM062X Energy	-232.136450482 Hartree
Dipole Moment	0.0000 Debye
Server	batch (202896)
CPU time	30.6 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	5.7158247	0.19065938944
b	5.7158247	0.19065938944
c	2.8579124	0.09532969639

Atom	Symbol	Charge
1	C	-0.162202
2	C	-0.162202
3	C	-0.162202
4	C	-0.162202
5	C	-0.162202
6	C	-0.162202
7	H	0.162202
8	H	0.162202
9	H	0.162202
10	H	0.162202
11	H	0.162202
12	H	0.162202

Display Range		- / 102
Orbital	Symmetry	Occupancy	Energy	Actions
1	A1G	2	-10.54793 Hartree
2	E1U	2	-10.54757 Hartree
3	E1U	2	-10.54757 Hartree
4	E2G	2	-10.54679 Hartree
5	E2G	2	-10.54679 Hartree
6	B1U	2	-10.54642 Hartree
7	A1G	2	-0.95191 Hartree
8	E1U	2	-0.83587 Hartree
9	E1U	2	-0.83587 Hartree
10	E2G	2	-0.67934 Hartree
11	E2G	2	-0.67934 Hartree
12	A1G	2	-0.59441 Hartree
13	B1U	2	-0.52906 Hartree
14	B2U	2	-0.50401 Hartree
15	E1U	2	-0.48236 Hartree
16	E1U	2	-0.48236 Hartree
17	A2U	2	-0.43048 Hartree
18	E2G	2	-0.39663 Hartree
19	E2G	2	-0.39663 Hartree
20	E1G	2	-0.29919 Hartree
21	E1G	2	-0.29919 Hartree
22	E2U	0	0.04005 Hartree
23	E2U	0	0.04005 Hartree
24	A1G	0	0.13594 Hartree
25	E1U	0	0.19367 Hartree
26	E1U	0	0.19367 Hartree
27	B2G	0	0.21842 Hartree
28	E2G	0	0.23037 Hartree
29	E2G	0	0.23037 Hartree
30	B1U	0	0.24105 Hartree
31	E2G	0	0.34716 Hartree
32	E2G	0	0.34716 Hartree
33	E1U	0	0.36320 Hartree
34	E1U	0	0.36320 Hartree
35	B2U	0	0.51702 Hartree
36	A2U	0	0.57928 Hartree
37	A1G	0	0.59403 Hartree
38	B1U	0	0.60914 Hartree
39	A2G	0	0.61935 Hartree
40	A1G	0	0.63575 Hartree
41	E1G	0	0.65584 Hartree
42	E1G	0	0.65584 Hartree
43	E2G	0	0.65976 Hartree
44	E2G	0	0.65976 Hartree
45	E1U	0	0.67749 Hartree
46	E1U	0	0.67749 Hartree
47	E2U	0	0.72457 Hartree
48	E2U	0	0.72457 Hartree
49	B2G	0	0.80234 Hartree
50	E2G	0	0.91062 Hartree
51	E2G	0	0.91062 Hartree
52	B1U	0	0.91531 Hartree
53	E1U	0	0.92623 Hartree
54	E1U	0	0.92623 Hartree
55	E1U	0	0.99121 Hartree
56	E1U	0	0.99121 Hartree
57	A1G	0	1.00356 Hartree
58	A2G	0	1.02090 Hartree
59	E2G	0	1.12122 Hartree
60	E2G	0	1.12122 Hartree
61	E1U	0	1.18621 Hartree
62	E1U	0	1.18621 Hartree
63	B1U	0	1.24599 Hartree
64	B1G	0	1.31636 Hartree
65	A2U	0	1.44452 Hartree
66	E2G	0	1.47816 Hartree
67	E2G	0	1.47816 Hartree
68	E2U	0	1.54230 Hartree
69	E2U	0	1.54230 Hartree
70	E1G	0	1.56783 Hartree
71	E1G	0	1.56783 Hartree
72	A1G	0	1.79458 Hartree
73	B2U	0	1.83824 Hartree
74	A1G	0	1.91419 Hartree
75	B1U	0	1.93050 Hartree
76	E1U	0	2.03735 Hartree
77	E1U	0	2.03735 Hartree
78	E2G	0	2.11465 Hartree
79	E2G	0	2.11465 Hartree
80	E2U	0	2.19224 Hartree
81	E2U	0	2.19224 Hartree
82	E1U	0	2.19280 Hartree
83	E1U	0	2.19280 Hartree
84	E1G	0	2.34229 Hartree
85	E1G	0	2.34229 Hartree
86	B2G	0	2.36593 Hartree
87	E2G	0	2.57603 Hartree
88	E2G	0	2.57603 Hartree
89	A1U	0	2.68418 Hartree
90	E2G	0	2.74466 Hartree
91	E2G	0	2.74466 Hartree
92	E1U	0	2.74989 Hartree
93	E1U	0	2.74989 Hartree
94	B1U	0	2.78804 Hartree
95	A2G	0	3.04163 Hartree
96	B1U	0	3.43053 Hartree
97	A1G	0	4.11644 Hartree
98	E1U	0	4.15045 Hartree
99	E1U	0	4.15045 Hartree
100	E2G	0	4.36213 Hartree
101	E2G	0	4.36213 Hartree
102	B1U	0	4.69753 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.24339
2	C	-0.24339
3	C	-0.24339
4	C	-0.24339
5	C	-0.24339
6	C	-0.24339
7	H	0.24339
8	H	0.24339
9	H	0.24339
10	H	0.24339
11	H	0.24339
12	H	0.24339

Display Range		- / 102
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999996897	-10.547148090 Hartree
2	C1 Val(2s)	0.965998848	-0.100562619 Hartree
3	C1 Ryd(3s)	0.000521806	1.342988666 Hartree
4	C1 Ryd(4s)	0.000037194	3.992712374 Hartree
5	C1 Val(2p)	1.062881292	0.001544133 Hartree
6	C1 Ryd(3p)	0.004143337	0.744398533 Hartree
7	C1 Val(2p)	1.202340124	-0.049168608 Hartree
8	C1 Ryd(3p)	0.005166288	1.164152444 Hartree
9	C1 Val(2p)	0.998456637	-0.102116794 Hartree
10	C1 Ryd(3p)	0.000659064	0.679441986 Hartree
11	C1 Ryd(3d)	0.000673920	2.422183082 Hartree
12	C1 Ryd(3d)	0.000529993	1.992103103 Hartree
13	C1 Ryd(3d)	0.000354306	1.849305389 Hartree
14	C1 Ryd(3d)	0.000938826	2.399825675 Hartree
15	C1 Ryd(3d)	0.000689606	2.276909693 Hartree
16	C2 Cor(1s)	1.999996897	-10.547148090 Hartree
17	C2 Val(2s)	0.965998848	-0.100562619 Hartree
18	C2 Ryd(3s)	0.000521806	1.342988666 Hartree
19	C2 Ryd(4s)	0.000037194	3.992712375 Hartree
20	C2 Val(2p)	1.167475416	-0.036490423 Hartree
21	C2 Ryd(3p)	0.004910550	1.059213966 Hartree
22	C2 Val(2p)	1.097746000	-0.011134052 Hartree
23	C2 Ryd(3p)	0.004399075	0.849337011 Hartree
24	C2 Val(2p)	0.998456637	-0.102116794 Hartree
25	C2 Ryd(3p)	0.000659064	0.679441986 Hartree
26	C2 Ryd(3d)	0.000872599	2.405415027 Hartree
27	C2 Ryd(3d)	0.000398228	1.885004817 Hartree
28	C2 Ryd(3d)	0.000486071	1.956403674 Hartree
29	C2 Ryd(3d)	0.000740147	2.416593730 Hartree
30	C2 Ryd(3d)	0.000689606	2.276909693 Hartree
31	C3 Cor(1s)	1.999996897	-10.547148090 Hartree
32	C3 Val(2s)	0.965998848	-0.100562619 Hartree
33	C3 Ryd(3s)	0.000521806	1.342988666 Hartree
34	C3 Ryd(4s)	0.000037194	3.992712375 Hartree
35	C3 Val(2p)	1.167475416	-0.036490423 Hartree
36	C3 Ryd(3p)	0.004910550	1.059213966 Hartree
37	C3 Val(2p)	1.097746000	-0.011134052 Hartree
38	C3 Ryd(3p)	0.004399075	0.849337011 Hartree
39	C3 Val(2p)	0.998456637	-0.102116794 Hartree
40	C3 Ryd(3p)	0.000659064	0.679441986 Hartree
41	C3 Ryd(3d)	0.000872599	2.405415027 Hartree
42	C3 Ryd(3d)	0.000398228	1.885004817 Hartree
43	C3 Ryd(3d)	0.000486071	1.956403674 Hartree
44	C3 Ryd(3d)	0.000740147	2.416593730 Hartree
45	C3 Ryd(3d)	0.000689606	2.276909693 Hartree
46	C4 Cor(1s)	1.999996897	-10.547148090 Hartree
47	C4 Val(2s)	0.965998848	-0.100562619 Hartree
48	C4 Ryd(3s)	0.000521806	1.342988666 Hartree
49	C4 Ryd(4s)	0.000037194	3.992712374 Hartree
50	C4 Val(2p)	1.062881292	0.001544133 Hartree
51	C4 Ryd(3p)	0.004143337	0.744398533 Hartree
52	C4 Val(2p)	1.202340124	-0.049168608 Hartree
53	C4 Ryd(3p)	0.005166288	1.164152444 Hartree
54	C4 Val(2p)	0.998456637	-0.102116794 Hartree
55	C4 Ryd(3p)	0.000659064	0.679441986 Hartree
56	C4 Ryd(3d)	0.000673920	2.422183082 Hartree
57	C4 Ryd(3d)	0.000529993	1.992103103 Hartree
58	C4 Ryd(3d)	0.000354306	1.849305389 Hartree
59	C4 Ryd(3d)	0.000938826	2.399825675 Hartree
60	C4 Ryd(3d)	0.000689606	2.276909693 Hartree
61	C5 Cor(1s)	1.999996897	-10.547148090 Hartree
62	C5 Val(2s)	0.965998848	-0.100562619 Hartree
63	C5 Ryd(3s)	0.000521806	1.342988666 Hartree
64	C5 Ryd(4s)	0.000037194	3.992712374 Hartree
65	C5 Val(2p)	1.167475416	-0.036490423 Hartree
66	C5 Ryd(3p)	0.004910550	1.059213966 Hartree
67	C5 Val(2p)	1.097746000	-0.011134052 Hartree
68	C5 Ryd(3p)	0.004399075	0.849337011 Hartree
69	C5 Val(2p)	0.998456637	-0.102116794 Hartree
70	C5 Ryd(3p)	0.000659064	0.679441986 Hartree
71	C5 Ryd(3d)	0.000872599	2.405415027 Hartree
72	C5 Ryd(3d)	0.000398228	1.885004817 Hartree
73	C5 Ryd(3d)	0.000486071	1.956403674 Hartree
74	C5 Ryd(3d)	0.000740147	2.416593730 Hartree
75	C5 Ryd(3d)	0.000689606	2.276909693 Hartree
76	C6 Cor(1s)	1.999996897	-10.547148090 Hartree
77	C6 Val(2s)	0.965998848	-0.100562619 Hartree
78	C6 Ryd(3s)	0.000521806	1.342988666 Hartree
79	C6 Ryd(4s)	0.000037194	3.992712374 Hartree
80	C6 Val(2p)	1.167475416	-0.036490423 Hartree
81	C6 Ryd(3p)	0.004910550	1.059213966 Hartree
82	C6 Val(2p)	1.097746000	-0.011134052 Hartree
83	C6 Ryd(3p)	0.004399075	0.849337011 Hartree
84	C6 Val(2p)	0.998456637	-0.102116794 Hartree
85	C6 Ryd(3p)	0.000659064	0.679441986 Hartree
86	C6 Ryd(3d)	0.000872599	2.405415027 Hartree
87	C6 Ryd(3d)	0.000398228	1.885004817 Hartree
88	C6 Ryd(3d)	0.000486071	1.956403674 Hartree
89	C6 Ryd(3d)	0.000740147	2.416593730 Hartree
90	C6 Ryd(3d)	0.000689606	2.276909693 Hartree
91	H7 Val(1s)	0.755903971	0.136832006 Hartree
92	H7 Ryd(2s)	0.000707891	0.626228222 Hartree
93	H8 Val(1s)	0.755903971	0.136832006 Hartree
94	H8 Ryd(2s)	0.000707891	0.626228222 Hartree
95	H9 Val(1s)	0.755903971	0.136832006 Hartree
96	H9 Ryd(2s)	0.000707891	0.626228222 Hartree
97	H10 Val(1s)	0.755903971	0.136832006 Hartree
98	H10 Ryd(2s)	0.000707891	0.626228222 Hartree
99	H11 Val(1s)	0.755903971	0.136832006 Hartree
100	H11 Ryd(2s)	0.000707891	0.626228222 Hartree
101	H12 Val(1s)	0.755903971	0.136832006 Hartree
102	H12 Ryd(2s)	0.000707891	0.626228222 Hartree

Display Range		- / 102
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999996897	-10.547148090 Hartree
2	CR(1)C2 s(100.00%)	1.999996897	-10.547148090 Hartree
3	CR(1)C3 s(100.00%)	1.999996897	-10.547148090 Hartree
4	CR(1)C4 s(100.00%)	1.999996897	-10.547148090 Hartree
5	CR(1)C5 s(100.00%)	1.999996897	-10.547148090 Hartree
6	CR(1)C6 s(100.00%)	1.999996897	-10.547148090 Hartree
7	BD(1)C1(C2) 1s(35.38%)p1.83(64.57%)d0.00(0.06%)	0.998148481	-0.001983619 Hartree
8	BD(1)C2(C1) 2s(35.38%)p1.83(64.57%)d0.00(0.06%)	0.998148481	-0.001983619 Hartree
9	BD(2)C1(C2) 1s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998925983	-0.102908476 Hartree
10	BD(2)C2(C1) 2s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998925983	-0.102908476 Hartree
11	BD(1)C1(C6) 1s(35.38%)p1.83(64.57%)d0.00(0.06%)	0.998148481	-0.001983619 Hartree
12	BD(1)C6(C1) 6s(35.38%)p1.83(64.57%)d0.00(0.06%)	0.998148481	-0.001983619 Hartree
13	BD(1)C1(H12) 1s(29.19%)p2.42(70.75%)d0.00(0.06%)	1.239778251	-0.125379159 Hartree
14	BD(1)H12(C1) 12s(100.00%)	0.755902119	0.137721132 Hartree
15	BD(1)C2(C3) 2s(35.38%)p1.83(64.57%)d0.00(0.06%)	0.998148481	-0.001983619 Hartree
16	BD(1)C3(C2) 3s(35.38%)p1.83(64.57%)d0.00(0.06%)	0.998148481	-0.001983619 Hartree
17	BD(1)C2(H11) 2s(29.19%)p2.42(70.75%)d0.00(0.06%)	1.239778251	-0.125379159 Hartree
18	BD(1)H11(C2) 11s(100.00%)	0.755902119	0.137721132 Hartree
19	BD(1)C3(C4) 3s(35.38%)p1.83(64.57%)d0.00(0.06%)	0.998148481	-0.001983619 Hartree
20	BD(1)C4(C3) 4s(35.38%)p1.83(64.57%)d0.00(0.06%)	0.998148481	-0.001983619 Hartree
21	BD(2)C3(C4) 3s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998925983	-0.102908476 Hartree
22	BD(2)C4(C3) 4s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998925983	-0.102908476 Hartree
23	BD(1)C3(H10) 3s(29.19%)p2.42(70.75%)d0.00(0.06%)	1.239778251	-0.125379159 Hartree
24	BD(1)H10(C3) 10s(100.00%)	0.755902119	0.137721132 Hartree
25	BD(1)C4(C5) 4s(35.38%)p1.83(64.57%)d0.00(0.06%)	0.998148481	-0.001983619 Hartree
26	BD(1)C5(C4) 5s(35.38%)p1.83(64.57%)d0.00(0.06%)	0.998148481	-0.001983619 Hartree
27	BD(1)C4(H9) 4s(29.19%)p2.42(70.75%)d0.00(0.06%)	1.239778251	-0.125379159 Hartree
28	BD(1)H9(C4) 9s(100.00%)	0.755902119	0.137721132 Hartree
29	BD(1)C5(C6) 5s(35.38%)p1.83(64.57%)d0.00(0.06%)	0.998148481	-0.001983619 Hartree
30	BD(1)C6(C5) 6s(35.38%)p1.83(64.57%)d0.00(0.06%)	0.998148481	-0.001983619 Hartree
31	BD(2)C5(C6) 5s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998925983	-0.102908476 Hartree
32	BD(2)C6(C5) 6s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998925983	-0.102908476 Hartree
33	BD(1)C5(H8) 5s(29.19%)p2.42(70.75%)d0.00(0.06%)	1.239778251	-0.125379159 Hartree
34	BD(1)H8(C5) 8s(100.00%)	0.755902119	0.137721132 Hartree
35	BD(1)C6(H7) 6s(29.19%)p2.42(70.75%)d0.00(0.06%)	1.239778251	-0.125379159 Hartree
36	BD(1)H7(C6) 7s(100.00%)	0.755902119	0.137721132 Hartree
37	RY(1)C1 s(0.18%)p99.99(92.83%)d39.40(6.99%)	0.004684310	1.298990461 Hartree
38	RY(2)C1 s(0.00%)p1.00(99.12%)d0.01(0.88%)	0.002355243	0.755334276 Hartree
39	RY(3)C1 s(0.00%)p1.00(2.32%)d42.17(97.68%)	0.000629951	1.960516745 Hartree
40	RY(4)C1 s(0.00%)p1.00(90.35%)d0.11(9.65%)	0.000444065	0.771063245 Hartree
41	RY(5)C1 s(97.33%)p0.00(0.05%)d0.03(2.62%)	0.000131183	1.063103942 Hartree
42	RY(6)C1 s(0.00%)p1.00(0.93%)d99.99(99.07%)	0.000113230	2.397232791 Hartree
43	RY(7)C1 s(99.61%)p0.00(0.01%)d0.00(0.39%)	0.000029254	4.239180098 Hartree
44	RY(8)C1 s(0.80%)p8.72(6.98%)d99.99(92.22%)	0.000002745	2.191698473 Hartree
45	RY(9)C1 s(0.00%)p1.00(7.38%)d12.56(92.62%)	0.000000000	1.790062170 Hartree
46	RY(10)C1 s(2.15%)p0.09(0.20%)d45.50(97.65%)	0.000000063	2.378789731 Hartree
47	RY(1)C2 s(0.18%)p99.99(92.83%)d39.40(6.99%)	0.004684310	1.298990461 Hartree
48	RY(2)C2 s(0.00%)p1.00(99.12%)d0.01(0.88%)	0.002355243	0.755334276 Hartree
49	RY(3)C2 s(0.00%)p1.00(2.32%)d42.17(97.68%)	0.000629951	1.960516745 Hartree
50	RY(4)C2 s(0.00%)p1.00(90.35%)d0.11(9.65%)	0.000444065	0.771063245 Hartree
51	RY(5)C2 s(97.33%)p0.00(0.05%)d0.03(2.62%)	0.000131183	1.063103942 Hartree
52	RY(6)C2 s(0.00%)p1.00(0.93%)d99.99(99.07%)	0.000113230	2.397232791 Hartree
53	RY(7)C2 s(99.61%)p0.00(0.01%)d0.00(0.39%)	0.000029254	4.239180098 Hartree
54	RY(8)C2 s(0.80%)p8.72(6.98%)d99.99(92.22%)	0.000002745	2.191698472 Hartree
55	RY(9)C2 s(0.00%)p1.00(7.38%)d12.56(92.62%)	0.000000000	1.790062170 Hartree
56	RY(10)C2 s(2.15%)p0.09(0.20%)d45.50(97.65%)	0.000000063	2.378789732 Hartree
57	RY(1)C3 s(0.18%)p99.99(92.83%)d39.40(6.99%)	0.004684310	1.298990461 Hartree
58	RY(2)C3 s(0.00%)p1.00(99.12%)d0.01(0.88%)	0.002355243	0.755334276 Hartree
59	RY(3)C3 s(0.00%)p1.00(2.32%)d42.17(97.68%)	0.000629951	1.960516745 Hartree
60	RY(4)C3 s(0.00%)p1.00(90.35%)d0.11(9.65%)	0.000444065	0.771063245 Hartree
61	RY(5)C3 s(97.33%)p0.00(0.05%)d0.03(2.62%)	0.000131183	1.063103942 Hartree
62	RY(6)C3 s(0.00%)p1.00(0.93%)d99.99(99.07%)	0.000113230	2.397232791 Hartree
63	RY(7)C3 s(99.61%)p0.00(0.01%)d0.00(0.39%)	0.000029254	4.239180098 Hartree
64	RY(8)C3 s(0.80%)p8.72(6.98%)d99.99(92.22%)	0.000002745	2.191698472 Hartree
65	RY(9)C3 s(0.00%)p1.00(7.38%)d12.56(92.62%)	0.000000000	1.790062170 Hartree
66	RY(10)C3 s(2.15%)p0.09(0.20%)d45.50(97.65%)	0.000000063	2.378789731 Hartree
67	RY(1)C4 s(0.18%)p99.99(92.83%)d39.40(6.99%)	0.004684310	1.298990461 Hartree
68	RY(2)C4 s(0.00%)p1.00(99.12%)d0.01(0.88%)	0.002355243	0.755334276 Hartree
69	RY(3)C4 s(0.00%)p1.00(2.32%)d42.17(97.68%)	0.000629951	1.960516745 Hartree
70	RY(4)C4 s(0.00%)p1.00(90.35%)d0.11(9.65%)	0.000444065	0.771063245 Hartree
71	RY(5)C4 s(97.33%)p0.00(0.05%)d0.03(2.62%)	0.000131183	1.063103942 Hartree
72	RY(6)C4 s(0.00%)p1.00(0.93%)d99.99(99.07%)	0.000113230	2.397232791 Hartree
73	RY(7)C4 s(99.61%)p0.00(0.01%)d0.00(0.39%)	0.000029254	4.239180098 Hartree
74	RY(8)C4 s(0.80%)p8.72(6.98%)d99.99(92.22%)	0.000002745	2.191698472 Hartree
75	RY(9)C4 s(0.00%)p1.00(7.38%)d12.56(92.62%)	0.000000000	1.790062170 Hartree
76	RY(10)C4 s(2.15%)p0.09(0.20%)d45.50(97.65%)	0.000000063	2.378789732 Hartree
77	RY(1)C5 s(0.18%)p99.99(92.83%)d39.40(6.99%)	0.004684310	1.298990461 Hartree
78	RY(2)C5 s(0.00%)p1.00(99.12%)d0.01(0.88%)	0.002355243	0.755334276 Hartree
79	RY(3)C5 s(0.00%)p1.00(2.32%)d42.17(97.68%)	0.000629951	1.960516745 Hartree
80	RY(4)C5 s(0.00%)p1.00(90.35%)d0.11(9.65%)	0.000444065	0.771063245 Hartree
81	RY(5)C5 s(97.33%)p0.00(0.05%)d0.03(2.62%)	0.000131183	1.063103942 Hartree
82	RY(6)C5 s(0.00%)p1.00(0.93%)d99.99(99.07%)	0.000113230	2.397232791 Hartree
83	RY(7)C5 s(99.61%)p0.00(0.01%)d0.00(0.39%)	0.000029254	4.239180098 Hartree
84	RY(8)C5 s(0.80%)p8.72(6.98%)d99.99(92.22%)	0.000002745	2.191698472 Hartree
85	RY(9)C5 s(0.00%)p1.00(7.38%)d12.56(92.62%)	0.000000000	1.790062170 Hartree
86	RY(10)C5 s(2.15%)p0.09(0.20%)d45.50(97.65%)	0.000000063	2.378789732 Hartree
87	RY(1)C6 s(0.18%)p99.99(92.83%)d39.40(6.99%)	0.004684310	1.298990461 Hartree
88	RY(2)C6 s(0.00%)p1.00(99.12%)d0.01(0.88%)	0.002355243	0.755334276 Hartree
89	RY(3)C6 s(0.00%)p1.00(2.32%)d42.17(97.68%)	0.000629951	1.960516745 Hartree
90	RY(4)C6 s(0.00%)p1.00(90.35%)d0.11(9.65%)	0.000444065	0.771063245 Hartree
91	RY(5)C6 s(97.33%)p0.00(0.05%)d0.03(2.62%)	0.000131183	1.063103942 Hartree
92	RY(6)C6 s(0.00%)p1.00(0.93%)d99.99(99.07%)	0.000113230	2.397232791 Hartree
93	RY(7)C6 s(99.61%)p0.00(0.01%)d0.00(0.39%)	0.000029254	4.239180098 Hartree
94	RY(8)C6 s(0.80%)p8.72(6.98%)d99.99(92.22%)	0.000002745	2.191698472 Hartree
95	RY(9)C6 s(0.00%)p1.00(7.38%)d12.56(92.62%)	0.000000000	1.790062170 Hartree
96	RY(10)C6 s(2.15%)p0.09(0.20%)d45.50(97.65%)	0.000000063	2.378789731 Hartree
97	RY(1)H7 s(100.00%)	0.000709743	0.625339096 Hartree
98	RY(1)H8 s(100.00%)	0.000709743	0.625339096 Hartree
99	RY(1)H9 s(100.00%)	0.000709743	0.625339096 Hartree
100	RY(1)H10 s(100.00%)	0.000709743	0.625339096 Hartree
101	RY(1)H11 s(100.00%)	0.000709743	0.625339096 Hartree
102	RY(1)H12 s(100.00%)	0.000709743	0.625339096 Hartree

Display Range		- / 102
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	403	1.999996897	-10.547148090 Hartree
2	CR(1)C2	404	1.999996897	-10.547148090 Hartree
3	CR(1)C3	405	1.999996897	-10.547148090 Hartree
4	CR(1)C4	406	1.999996897	-10.547148090 Hartree
5	CR(1)C5	407	1.999996897	-10.547148090 Hartree
6	CR(1)C6	408	1.999996897	-10.547148090 Hartree
7	BD(1)C1-C2	409, 410	1.981264488	-0.655514444 Hartree
8	BD(2)C1-C2	411, 412	1.665238858	-0.280908262 Hartree
9	BD(1)C1-C6	413, 414	1.981264488	-0.655514444 Hartree
10	BD(1)C1-H12	415, 416	1.983640741	-0.550680062 Hartree
11	BD(1)C2-C3	417, 418	1.981264488	-0.655514444 Hartree
12	BD(1)C2-H11	419, 420	1.983640741	-0.550680062 Hartree
13	BD(1)C3-C4	421, 422	1.981264488	-0.655514444 Hartree
14	BD(2)C3-C4	423, 424	1.665238858	-0.280908262 Hartree
15	BD(1)C3-H10	425, 426	1.983640741	-0.550680062 Hartree
16	BD(1)C4-C5	427, 428	1.981264488	-0.655514444 Hartree
17	BD(1)C4-H9	429, 430	1.983640741	-0.550680062 Hartree
18	BD(1)C5-C6	431, 432	1.981264488	-0.655514444 Hartree
19	BD(2)C5-C6	433, 434	1.665238858	-0.280908262 Hartree
20	BD(1)C5-H8	435, 436	1.983640741	-0.550680062 Hartree
21	BD(1)C6-H7	437, 438	1.983640741	-0.550680062 Hartree
22	BD*(1)C1-C2		0.015032475	0.651547206 Hartree
23	BD*(2)C1-C2		0.332613109	0.075091310 Hartree
24	BD*(1)C1-C6		0.015032475	0.651547206 Hartree
25	BD*(1)C1-H12		0.012039629	0.563022035 Hartree
26	BD*(1)C2-C3		0.015032475	0.651547206 Hartree
27	BD*(1)C2-H11		0.012039629	0.563022035 Hartree
28	BD*(1)C3-C4		0.015032475	0.651547206 Hartree
29	BD*(2)C3-C4		0.332613109	0.075091310 Hartree
30	BD*(1)C3-H10		0.012039629	0.563022035 Hartree
31	BD*(1)C4-C5		0.015032475	0.651547206 Hartree
32	BD*(1)C4-H9		0.012039629	0.563022035 Hartree
33	BD*(1)C5-C6		0.015032475	0.651547206 Hartree
34	BD*(2)C5-C6		0.332613109	0.075091310 Hartree
35	BD*(1)C5-H8		0.012039629	0.563022035 Hartree
36	BD*(1)C6-H7		0.012039629	0.563022035 Hartree
37	RY(1)C1	439	0.004684310	1.298990461 Hartree
38	RY(2)C1	440	0.002355243	0.755334276 Hartree
39	RY(3)C1	441	0.000629951	1.960516745 Hartree
40	RY(4)C1	442	0.000444065	0.771063245 Hartree
41	RY(5)C1	443	0.000131183	1.063103942 Hartree
42	RY(6)C1	444	0.000113230	2.397232791 Hartree
43	RY(7)C1	445	0.000029254	4.239180098 Hartree
44	RY(8)C1	446	0.000002745	2.191698473 Hartree
45	RY(9)C1	447	0.000000000	1.790062170 Hartree
46	RY(10)C1	448	0.000000063	2.378789731 Hartree
47	RY(1)C2	449	0.004684310	1.298990461 Hartree
48	RY(2)C2	450	0.002355243	0.755334276 Hartree
49	RY(3)C2	451	0.000629951	1.960516745 Hartree
50	RY(4)C2	452	0.000444065	0.771063245 Hartree
51	RY(5)C2	453	0.000131183	1.063103942 Hartree
52	RY(6)C2	454	0.000113230	2.397232791 Hartree
53	RY(7)C2	455	0.000029254	4.239180098 Hartree
54	RY(8)C2	456	0.000002745	2.191698472 Hartree
55	RY(9)C2	457	0.000000000	1.790062170 Hartree
56	RY(10)C2	458	0.000000063	2.378789732 Hartree
57	RY(1)C3	459	0.004684310	1.298990461 Hartree
58	RY(2)C3	460	0.002355243	0.755334276 Hartree
59	RY(3)C3	461	0.000629951	1.960516745 Hartree
60	RY(4)C3	462	0.000444065	0.771063245 Hartree
61	RY(5)C3	463	0.000131183	1.063103942 Hartree
62	RY(6)C3	464	0.000113230	2.397232791 Hartree
63	RY(7)C3	465	0.000029254	4.239180098 Hartree
64	RY(8)C3	466	0.000002745	2.191698472 Hartree
65	RY(9)C3	467	0.000000000	1.790062170 Hartree
66	RY(10)C3	468	0.000000063	2.378789731 Hartree
67	RY(1)C4	469	0.004684310	1.298990461 Hartree
68	RY(2)C4	470	0.002355243	0.755334276 Hartree
69	RY(3)C4	471	0.000629951	1.960516745 Hartree
70	RY(4)C4	472	0.000444065	0.771063245 Hartree
71	RY(5)C4	473	0.000131183	1.063103942 Hartree
72	RY(6)C4	474	0.000113230	2.397232791 Hartree
73	RY(7)C4	475	0.000029254	4.239180098 Hartree
74	RY(8)C4	476	0.000002745	2.191698472 Hartree
75	RY(9)C4	477	0.000000000	1.790062170 Hartree
76	RY(10)C4	478	0.000000063	2.378789732 Hartree
77	RY(1)C5	479	0.004684310	1.298990461 Hartree
78	RY(2)C5	480	0.002355243	0.755334276 Hartree
79	RY(3)C5	481	0.000629951	1.960516745 Hartree
80	RY(4)C5	482	0.000444065	0.771063245 Hartree
81	RY(5)C5	483	0.000131183	1.063103942 Hartree
82	RY(6)C5	484	0.000113230	2.397232791 Hartree
83	RY(7)C5	485	0.000029254	4.239180098 Hartree
84	RY(8)C5	486	0.000002745	2.191698472 Hartree
85	RY(9)C5	487	0.000000000	1.790062170 Hartree
86	RY(10)C5	488	0.000000063	2.378789732 Hartree
87	RY(1)C6	489	0.004684310	1.298990461 Hartree
88	RY(2)C6	490	0.002355243	0.755334276 Hartree
89	RY(3)C6	491	0.000629951	1.960516745 Hartree
90	RY(4)C6	492	0.000444065	0.771063245 Hartree
91	RY(5)C6	493	0.000131183	1.063103942 Hartree
92	RY(6)C6	494	0.000113230	2.397232791 Hartree
93	RY(7)C6	495	0.000029254	4.239180098 Hartree
94	RY(8)C6	496	0.000002745	2.191698472 Hartree
95	RY(9)C6	497	0.000000000	1.790062170 Hartree
96	RY(10)C6	498	0.000000063	2.378789731 Hartree
97	RY(1)H7	499	0.000709743	0.625339096 Hartree
98	RY(1)H8	500	0.000709743	0.625339096 Hartree
99	RY(1)H9	501	0.000709743	0.625339096 Hartree
100	RY(1)H10	502	0.000709743	0.625339096 Hartree
101	RY(1)H11	503	0.000709743	0.625339096 Hartree
102	RY(1)H12	504	0.000709743	0.625339096 Hartree

CLIMB THE MOUNTAINS AND GET THEIR GOOD TIDINGS. NATURE'S PEACE WILL FLOW INTO YOU AS SUNSHINE FLOWS INTO TREES. THE WINDS WILL BLOW THEIR OWN FRESHNESS INTO YOU, AND CARES WILL DROP OFF LIKE AUTUMN LEAVES. -- JOHN MUIR