WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C6H4
Symmetry	C2V
Basis	6-31G(d)
RB3LYP Energy	-230.909947756 Hartree
Dipole Moment	1.4586 Debye
Server	batch (346951)
CPU time	31.3 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	7.0103327	0.23383952841
b	5.7013535	0.19017668216
c	3.1442237	0.10488001336

Atom	Symbol	Charge
1	C	-0.129692
2	C	-0.129692
3	C	-0.149693
4	C	-0.008866
5	C	-0.008866
6	C	-0.149693
7	H	0.146695
8	H	0.146695
9	H	0.141556
10	H	0.141556

Display Range		- / 98
Orbital	Symmetry	Occupancy	Energy	Actions
1	B2	2	-10.22072 Hartree
2	A1	2	-10.22072 Hartree
3	A1	2	-10.20401 Hartree
4	B2	2	-10.20350 Hartree
5	A1	2	-10.19740 Hartree
6	B2	2	-10.19571 Hartree
7	A1	2	-0.86633 Hartree
8	B2	2	-0.75530 Hartree
9	A1	2	-0.73985 Hartree
10	A1	2	-0.61699 Hartree
11	B2	2	-0.57939 Hartree
12	A1	2	-0.50670 Hartree
13	B2	2	-0.46454 Hartree
14	A1	2	-0.45220 Hartree
15	B2	2	-0.39342 Hartree
16	A1	2	-0.38654 Hartree
17	B1	2	-0.37852 Hartree
18	A2	2	-0.26011 Hartree
19	A1	2	-0.25872 Hartree
20	B1	2	-0.25845 Hartree
21	B2	0	-0.07016 Hartree
22	B1	0	-0.01827 Hartree
23	A2	0	0.01633 Hartree
24	A1	0	0.10414 Hartree
25	B2	0	0.13871 Hartree
26	A1	0	0.16576 Hartree
27	B2	0	0.17498 Hartree
28	A2	0	0.17629 Hartree
29	B2	0	0.27646 Hartree
30	A1	0	0.28621 Hartree
31	A1	0	0.32860 Hartree
32	B2	0	0.36227 Hartree
33	A1	0	0.48801 Hartree
34	B2	0	0.49082 Hartree
35	A1	0	0.49834 Hartree
36	B1	0	0.51495 Hartree
37	A1	0	0.55177 Hartree
38	B2	0	0.58809 Hartree
39	A2	0	0.58877 Hartree
40	B1	0	0.58972 Hartree
41	A1	0	0.59513 Hartree
42	A1	0	0.61924 Hartree
43	B2	0	0.63262 Hartree
44	B1	0	0.65319 Hartree
45	A2	0	0.66971 Hartree
46	B2	0	0.67644 Hartree
47	B2	0	0.69408 Hartree
48	A2	0	0.75454 Hartree
49	A1	0	0.82713 Hartree
50	A1	0	0.83351 Hartree
51	B2	0	0.83694 Hartree
52	B2	0	0.86013 Hartree
53	A1	0	0.90121 Hartree
54	A1	0	0.93051 Hartree
55	B2	0	0.93148 Hartree
56	B2	0	1.01243 Hartree
57	A1	0	1.09470 Hartree
58	B2	0	1.13587 Hartree
59	B2	0	1.16213 Hartree
60	B1	0	1.25690 Hartree
61	B2	0	1.31425 Hartree
62	A1	0	1.33553 Hartree
63	B1	0	1.36855 Hartree
64	B1	0	1.47210 Hartree
65	A2	0	1.48117 Hartree
66	A2	0	1.53137 Hartree
67	B1	0	1.55666 Hartree
68	A1	0	1.61405 Hartree
69	B2	0	1.73547 Hartree
70	A1	0	1.77155 Hartree
71	A1	0	1.81705 Hartree
72	B2	0	1.89698 Hartree
73	A1	0	1.93536 Hartree
74	A1	0	2.03507 Hartree
75	B2	0	2.09851 Hartree
76	A2	0	2.14077 Hartree
77	B2	0	2.15260 Hartree
78	B1	0	2.16326 Hartree
79	A1	0	2.20869 Hartree
80	B1	0	2.24260 Hartree
81	A2	0	2.33635 Hartree
82	A2	0	2.40131 Hartree
83	B2	0	2.44175 Hartree
84	A1	0	2.51707 Hartree
85	B2	0	2.64720 Hartree
86	A1	0	2.69345 Hartree
87	A2	0	2.72210 Hartree
88	A1	0	2.72538 Hartree
89	B2	0	2.76673 Hartree
90	B2	0	2.80218 Hartree
91	B2	0	3.08807 Hartree
92	B2	0	3.39881 Hartree
93	A1	0	4.06419 Hartree
94	B2	0	4.09686 Hartree
95	A1	0	4.11391 Hartree
96	A1	0	4.32185 Hartree
97	B2	0	4.33525 Hartree
98	B2	0	4.66434 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.23728
2	C	-0.23728
3	C	-0.27648
4	C	0.01946
5	C	0.01946
6	C	-0.27648
7	H	0.24735
8	H	0.24735
9	H	0.24694
10	H	0.24694

Display Range		- / 98
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999996473	-10.203734420 Hartree
2	C1 Val(2s)	0.981908816	-0.115282814 Hartree
3	C1 Ryd(3s)	0.000790253	1.029578034 Hartree
4	C1 Ryd(4s)	0.000071527	4.198589044 Hartree
5	C1 Val(2p)	1.009924669	-0.111299311 Hartree
6	C1 Ryd(3p)	0.000571101	0.617983211 Hartree
7	C1 Val(2p)	1.089675235	-0.016740711 Hartree
8	C1 Ryd(3p)	0.003620086	0.788594914 Hartree
9	C1 Val(2p)	1.142844665	-0.041850783 Hartree
10	C1 Ryd(3p)	0.004393175	1.004819686 Hartree
11	C1 Ryd(3d)	0.000478122	1.898560366 Hartree
12	C1 Ryd(3d)	0.000390973	1.809262006 Hartree
13	C1 Ryd(3d)	0.000982464	2.340171317 Hartree
14	C1 Ryd(3d)	0.000695296	2.300488910 Hartree
15	C1 Ryd(3d)	0.000934026	2.253490714 Hartree
16	C2 Cor(1s)	1.999996473	-10.203734420 Hartree
17	C2 Val(2s)	0.981908816	-0.115282814 Hartree
18	C2 Ryd(3s)	0.000790253	1.029578034 Hartree
19	C2 Ryd(4s)	0.000071527	4.198589044 Hartree
20	C2 Val(2p)	1.009924669	-0.111299311 Hartree
21	C2 Ryd(3p)	0.000571101	0.617983211 Hartree
22	C2 Val(2p)	1.089675235	-0.016740711 Hartree
23	C2 Ryd(3p)	0.003620086	0.788594914 Hartree
24	C2 Val(2p)	1.142844665	-0.041850783 Hartree
25	C2 Ryd(3p)	0.004393175	1.004819686 Hartree
26	C2 Ryd(3d)	0.000478122	1.898560366 Hartree
27	C2 Ryd(3d)	0.000390973	1.809262006 Hartree
28	C2 Ryd(3d)	0.000982464	2.340171317 Hartree
29	C2 Ryd(3d)	0.000695296	2.300488910 Hartree
30	C2 Ryd(3d)	0.000934026	2.253490714 Hartree
31	C3 Cor(1s)	1.999996061	-10.220685479 Hartree
32	C3 Val(2s)	0.997494583	-0.120471614 Hartree
33	C3 Ryd(3s)	0.000839757	1.066201243 Hartree
34	C3 Ryd(4s)	0.000052060	4.149217945 Hartree
35	C3 Val(2p)	1.023635431	-0.118576304 Hartree
36	C3 Ryd(3p)	0.000736817	0.607515896 Hartree
37	C3 Val(2p)	1.214212295	-0.057610003 Hartree
38	C3 Ryd(3p)	0.004334135	1.045950943 Hartree
39	C3 Val(2p)	1.025759571	-0.023677717 Hartree
40	C3 Ryd(3p)	0.005366258	0.636834761 Hartree
41	C3 Ryd(3d)	0.000509576	1.818212489 Hartree
42	C3 Ryd(3d)	0.000503188	1.919765079 Hartree
43	C3 Ryd(3d)	0.000862043	2.403266300 Hartree
44	C3 Ryd(3d)	0.001140257	2.220686707 Hartree
45	C3 Ryd(3d)	0.001036520	2.320257587 Hartree
46	C4 Cor(1s)	1.999996569	-10.196529383 Hartree
47	C4 Val(2s)	0.961074930	-0.057058998 Hartree
48	C4 Ryd(3s)	0.002106093	1.197019721 Hartree
49	C4 Ryd(4s)	0.000028819	4.082774237 Hartree
50	C4 Val(2p)	0.961491118	-0.078114033 Hartree
51	C4 Ryd(3p)	0.000423004	0.634589019 Hartree
52	C4 Val(2p)	1.103792521	0.031344210 Hartree
53	C4 Ryd(3p)	0.003419929	0.747989698 Hartree
54	C4 Val(2p)	0.939266822	-0.037833793 Hartree
55	C4 Ryd(3p)	0.004795996	0.650150138 Hartree
56	C4 Ryd(3d)	0.000760237	2.023799191 Hartree
57	C4 Ryd(3d)	0.000575763	1.838947232 Hartree
58	C4 Ryd(3d)	0.001294798	2.367572116 Hartree
59	C4 Ryd(3d)	0.000950449	2.450513466 Hartree
60	C4 Ryd(3d)	0.000564493	2.191129807 Hartree
61	C5 Cor(1s)	1.999996569	-10.196529383 Hartree
62	C5 Val(2s)	0.961074930	-0.057058998 Hartree
63	C5 Ryd(3s)	0.002106093	1.197019721 Hartree
64	C5 Ryd(4s)	0.000028819	4.082774237 Hartree
65	C5 Val(2p)	0.961491118	-0.078114033 Hartree
66	C5 Ryd(3p)	0.000423004	0.634589019 Hartree
67	C5 Val(2p)	1.103792521	0.031344210 Hartree
68	C5 Ryd(3p)	0.003419929	0.747989698 Hartree
69	C5 Val(2p)	0.939266822	-0.037833793 Hartree
70	C5 Ryd(3p)	0.004795996	0.650150138 Hartree
71	C5 Ryd(3d)	0.000760237	2.023799191 Hartree
72	C5 Ryd(3d)	0.000575763	1.838947232 Hartree
73	C5 Ryd(3d)	0.001294798	2.367572116 Hartree
74	C5 Ryd(3d)	0.000950449	2.450513466 Hartree
75	C5 Ryd(3d)	0.000564493	2.191129807 Hartree
76	C6 Cor(1s)	1.999996061	-10.220685479 Hartree
77	C6 Val(2s)	0.997494583	-0.120471614 Hartree
78	C6 Ryd(3s)	0.000839757	1.066201243 Hartree
79	C6 Ryd(4s)	0.000052060	4.149217945 Hartree
80	C6 Val(2p)	1.023635431	-0.118576304 Hartree
81	C6 Ryd(3p)	0.000736817	0.607515896 Hartree
82	C6 Val(2p)	1.214212295	-0.057610003 Hartree
83	C6 Ryd(3p)	0.004334135	1.045950943 Hartree
84	C6 Val(2p)	1.025759571	-0.023677717 Hartree
85	C6 Ryd(3p)	0.005366258	0.636834761 Hartree
86	C6 Ryd(3d)	0.000509576	1.818212489 Hartree
87	C6 Ryd(3d)	0.000503188	1.919765079 Hartree
88	C6 Ryd(3d)	0.000862043	2.403266300 Hartree
89	C6 Ryd(3d)	0.001140257	2.220686707 Hartree
90	C6 Ryd(3d)	0.001036520	2.320257587 Hartree
91	H7 Val(1s)	0.751661736	0.106190402 Hartree
92	H7 Ryd(2s)	0.000983380	0.560227459 Hartree
93	H8 Val(1s)	0.751661736	0.106190402 Hartree
94	H8 Ryd(2s)	0.000983380	0.560227459 Hartree
95	H9 Val(1s)	0.752297098	0.102740869 Hartree
96	H9 Ryd(2s)	0.000760809	0.574521147 Hartree
97	H10 Val(1s)	0.752297098	0.102740869 Hartree
98	H10 Ryd(2s)	0.000760809	0.574521147 Hartree

Display Range		- / 98
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999996473	-10.203734420 Hartree
2	CR(1)C2 s(100.00%)	1.999996473	-10.203734420 Hartree
3	CR(1)C3 s(100.00%)	1.999996061	-10.220685479 Hartree
4	CR(1)C4 s(100.00%)	1.999996569	-10.196529383 Hartree
5	CR(1)C5 s(100.00%)	1.999996569	-10.196529383 Hartree
6	CR(1)C6 s(100.00%)	1.999996061	-10.220685479 Hartree
7	BD(1)C1(C2) 1s(36.17%)p1.76(63.77%)d0.00(0.06%)	0.998538510	-0.014459678 Hartree
8	BD(1)C2(C1) 2s(36.17%)p1.76(63.77%)d0.00(0.06%)	0.998538510	-0.014459678 Hartree
9	BD(1)C1(C6) 1s(35.13%)p1.85(64.81%)d0.00(0.06%)	0.987145618	-0.020711720 Hartree
10	BD(1)C6(C1) 6s(36.82%)p1.71(63.11%)d0.00(0.06%)	0.992977493	-0.021041014 Hartree
11	BD(2)C1(C6) 1s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.010315327	-0.111950595 Hartree
12	BD(2)C6(C1) 6s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.024302827	-0.119035150 Hartree
13	BD(1)C1(H10) 1s(28.65%)p2.49(71.28%)d0.00(0.08%)	1.233276197	-0.120866728 Hartree
14	BD(1)H10(C1) 10s(100.00%)	0.752295696	0.103487685 Hartree
15	BD(1)C2(C3) 2s(35.13%)p1.85(64.81%)d0.00(0.06%)	0.987145618	-0.020711720 Hartree
16	BD(1)C3(C2) 3s(36.82%)p1.71(63.11%)d0.00(0.06%)	0.992977493	-0.021041014 Hartree
17	BD(2)C2(C3) 2s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.010315327	-0.111950595 Hartree
18	BD(2)C3(C2) 3s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.024302827	-0.119035150 Hartree
19	BD(1)C2(H9) 2s(28.65%)p2.49(71.28%)d0.00(0.08%)	1.233276197	-0.120866728 Hartree
20	BD(1)H9(C2) 9s(100.00%)	0.752295696	0.103487685 Hartree
21	BD(1)C3(C4) 3s(32.01%)p2.12(67.92%)d0.00(0.07%)	0.992021320	-0.025246201 Hartree
22	BD(1)C4(C3) 4s(49.53%)p1.02(50.40%)d0.00(0.07%)	1.007493509	-0.019063840 Hartree
23	BD(1)C3(H8) 3s(31.07%)p2.22(68.86%)d0.00(0.07%)	1.257722188	-0.138156777 Hartree
24	BD(1)H8(C3) 8s(100.00%)	0.751653850	0.107951108 Hartree
25	BD(1)C4(C5) 4s(50.08%)p0.99(49.83%)d0.00(0.09%)	1.001075118	0.053905750 Hartree
26	BD(1)C5(C4) 5s(50.08%)p0.99(49.83%)d0.00(0.09%)	1.001075118	0.053905750 Hartree
27	BD(2)C4(C5) 4s(0.48%)p99.99(99.42%)d0.21(0.10%)	1.002787450	-0.079416254 Hartree
28	BD(2)C5(C4) 5s(0.48%)p99.99(99.42%)d0.21(0.10%)	1.002787450	-0.079416254 Hartree
29	BD(3)C4(C5) 4s(0.00%)p1.00(99.91%)d0.00(0.09%)	0.962061661	-0.077110984 Hartree
30	BD(3)C5(C4) 5s(0.00%)p1.00(99.91%)d0.00(0.09%)	0.962061661	-0.077110984 Hartree
31	BD(1)C5(C6) 5s(49.53%)p1.02(50.40%)d0.00(0.07%)	1.007493509	-0.019063840 Hartree
32	BD(1)C6(C5) 6s(32.01%)p2.12(67.92%)d0.00(0.07%)	0.992021320	-0.025246201 Hartree
33	BD(1)C6(H7) 6s(31.07%)p2.22(68.86%)d0.00(0.07%)	1.257722188	-0.138156777 Hartree
34	BD(1)H7(C6) 7s(100.00%)	0.751653850	0.107951108 Hartree
35	RY(1)C1 s(0.83%)p99.99(91.86%)d8.82(7.31%)	0.004226889	1.242700562 Hartree
36	RY(2)C1 s(1.16%)p84.13(97.43%)d1.22(1.41%)	0.002058420	0.732933513 Hartree
37	RY(3)C1 s(0.00%)p1.00(0.16%)d99.99(99.84%)	0.000678999	1.927694971 Hartree
38	RY(4)C1 s(81.23%)p0.05(4.26%)d0.18(14.50%)	0.000530680	1.105079727 Hartree
39	RY(5)C1 s(0.00%)p1.00(86.71%)d0.15(13.29%)	0.000370540	0.739704181 Hartree
40	RY(6)C1 s(7.14%)p0.13(0.93%)d12.88(91.94%)	0.000105176	2.236551597 Hartree
41	RY(7)C1 s(98.05%)p0.00(0.22%)d0.02(1.73%)	0.000032079	4.183301195 Hartree
42	RY(8)C1 s(6.64%)p0.74(4.91%)d13.32(88.45%)	0.000001910	2.192863345 Hartree
43	RY(9)C1 s(5.02%)p0.11(0.54%)d18.83(94.45%)	0.000000064	2.204466499 Hartree
44	RY(10)C1 s(0.00%)p1.00(13.17%)d6.59(86.83%)	0.000000000	1.659057715 Hartree
45	RY(1)C2 s(0.83%)p99.99(91.86%)d8.82(7.31%)	0.004226889	1.242700562 Hartree
46	RY(2)C2 s(1.16%)p84.13(97.43%)d1.22(1.41%)	0.002058420	0.732933513 Hartree
47	RY(3)C2 s(0.00%)p1.00(0.16%)d99.99(99.84%)	0.000678999	1.927694971 Hartree
48	RY(4)C2 s(81.23%)p0.05(4.26%)d0.18(14.50%)	0.000530680	1.105079727 Hartree
49	RY(5)C2 s(0.00%)p1.00(86.71%)d0.15(13.29%)	0.000370540	0.739704181 Hartree
50	RY(6)C2 s(7.14%)p0.13(0.93%)d12.88(91.94%)	0.000105176	2.236551597 Hartree
51	RY(7)C2 s(98.05%)p0.00(0.22%)d0.02(1.73%)	0.000032079	4.183301195 Hartree
52	RY(8)C2 s(6.64%)p0.74(4.91%)d13.32(88.45%)	0.000001910	2.192863345 Hartree
53	RY(9)C2 s(5.02%)p0.11(0.54%)d18.83(94.45%)	0.000000064	2.204466499 Hartree
54	RY(10)C2 s(0.00%)p1.00(13.17%)d6.59(86.83%)	0.000000000	1.659057715 Hartree
55	RY(1)C3 s(4.41%)p18.50(81.51%)d3.20(14.08%)	0.004835495	1.181047591 Hartree
56	RY(2)C3 s(0.46%)p99.99(97.85%)d3.72(1.70%)	0.002868898	0.777038989 Hartree
57	RY(3)C3 s(0.00%)p1.00(13.42%)d6.45(86.58%)	0.000610921	1.739042664 Hartree
58	RY(4)C3 s(52.84%)p0.22(11.66%)d0.67(35.50%)	0.000568604	1.398532064 Hartree
59	RY(5)C3 s(0.00%)p1.00(77.71%)d0.29(22.29%)	0.000471265	0.863730519 Hartree
60	RY(6)C3 s(56.32%)p0.01(0.82%)d0.76(42.87%)	0.000061591	3.147413660 Hartree
61	RY(7)C3 s(45.69%)p0.08(3.48%)d1.11(50.83%)	0.000039192	2.070654010 Hartree
62	RY(8)C3 s(35.99%)p0.13(4.71%)d1.65(59.30%)	0.000002623	2.925726293 Hartree
63	RY(9)C3 s(0.00%)p1.00(8.92%)d10.21(91.08%)	0.000000000	1.743179127 Hartree
64	RY(10)C3 s(4.41%)p0.02(0.08%)d21.66(95.51%)	0.000000078	2.324687537 Hartree
65	RY(1)C4 s(2.40%)p40.48(97.05%)d0.23(0.56%)	0.003375629	0.733530526 Hartree
66	RY(2)C4 s(2.50%)p36.79(92.08%)d2.16(5.42%)	0.002339546	0.797686601 Hartree
67	RY(3)C4 s(0.00%)p1.00(6.67%)d14.00(93.33%)	0.000777006	1.935286523 Hartree
68	RY(4)C4 s(0.00%)p1.00(82.92%)d0.21(17.08%)	0.000411455	0.814533437 Hartree
69	RY(5)C4 s(79.09%)p0.04(3.55%)d0.22(17.36%)	0.000149630	1.244052840 Hartree
70	RY(6)C4 s(12.53%)p0.37(4.70%)d6.60(82.77%)	0.000054294	2.200031023 Hartree
71	RY(7)C4 s(98.03%)p0.01(0.58%)d0.01(1.39%)	0.000018487	4.151207947 Hartree
72	RY(8)C4 s(0.00%)p1.00(10.50%)d8.53(89.50%)	0.000000000	1.746512432 Hartree
73	RY(9)C4 s(3.10%)p0.74(2.28%)d30.52(94.62%)	0.000000966	2.322081231 Hartree
74	RY(10)C4 s(2.25%)p0.05(0.12%)d43.30(97.63%)	0.000000223	2.219584778 Hartree
75	RY(1)C5 s(2.40%)p40.48(97.05%)d0.23(0.56%)	0.003375629	0.733530526 Hartree
76	RY(2)C5 s(2.50%)p36.79(92.08%)d2.16(5.42%)	0.002339546	0.797686601 Hartree
77	RY(3)C5 s(0.00%)p1.00(6.67%)d14.00(93.33%)	0.000777006	1.935286523 Hartree
78	RY(4)C5 s(0.00%)p1.00(82.92%)d0.21(17.08%)	0.000411455	0.814533437 Hartree
79	RY(5)C5 s(79.09%)p0.04(3.55%)d0.22(17.36%)	0.000149630	1.244052840 Hartree
80	RY(6)C5 s(12.53%)p0.37(4.70%)d6.60(82.77%)	0.000054294	2.200031023 Hartree
81	RY(7)C5 s(98.03%)p0.01(0.58%)d0.01(1.39%)	0.000018487	4.151207947 Hartree
82	RY(8)C5 s(0.00%)p1.00(10.50%)d8.53(89.50%)	0.000000000	1.746512432 Hartree
83	RY(9)C5 s(3.10%)p0.74(2.28%)d30.52(94.62%)	0.000000966	2.322081235 Hartree
84	RY(10)C5 s(2.25%)p0.05(0.12%)d43.30(97.63%)	0.000000223	2.219584773 Hartree
85	RY(1)C6 s(4.41%)p18.50(81.51%)d3.20(14.08%)	0.004835495	1.181047591 Hartree
86	RY(2)C6 s(0.46%)p99.99(97.85%)d3.72(1.70%)	0.002868898	0.777038989 Hartree
87	RY(3)C6 s(0.00%)p1.00(13.42%)d6.45(86.58%)	0.000610921	1.739042664 Hartree
88	RY(4)C6 s(52.84%)p0.22(11.66%)d0.67(35.50%)	0.000568604	1.398532064 Hartree
89	RY(5)C6 s(0.00%)p1.00(77.71%)d0.29(22.29%)	0.000471265	0.863730519 Hartree
90	RY(6)C6 s(56.32%)p0.01(0.82%)d0.76(42.87%)	0.000061591	3.147413660 Hartree
91	RY(7)C6 s(45.69%)p0.08(3.48%)d1.11(50.83%)	0.000039192	2.070654009 Hartree
92	RY(8)C6 s(35.99%)p0.13(4.71%)d1.65(59.30%)	0.000002623	2.925726293 Hartree
93	RY(9)C6 s(0.00%)p1.00(8.92%)d10.21(91.08%)	0.000000000	1.743179127 Hartree
94	RY(10)C6 s(4.41%)p0.02(0.08%)d21.66(95.51%)	0.000000078	2.324687537 Hartree
95	RY(1)H7 s(100.00%)	0.000991265	0.558466753 Hartree
96	RY(1)H8 s(100.00%)	0.000991265	0.558466753 Hartree
97	RY(1)H9 s(100.00%)	0.000762211	0.573774331 Hartree
98	RY(1)H10 s(100.00%)	0.000762211	0.573774331 Hartree

Display Range		- / 98
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	1	1.999996473	-10.203734420 Hartree
2	CR(1)C2	2	1.999996473	-10.203734420 Hartree
3	CR(1)C3	3	1.999996061	-10.220685479 Hartree
4	CR(1)C4	4	1.999996569	-10.196529383 Hartree
5	CR(1)C5	5	1.999996569	-10.196529383 Hartree
6	CR(1)C6	6	1.999996061	-10.220685479 Hartree
7	BD(1)C1-C2	7, 8	1.984738069	-0.590438667 Hartree
8	BD(1)C1-C6	9, 10	1.961735056	-0.587059081 Hartree
9	BD(2)C1-C6	11, 12	1.701808223	-0.251759672 Hartree
10	BD(1)C1-H10	13, 14	1.974395863	-0.490196359 Hartree
11	BD(1)C2-C3	15, 16	1.961735056	-0.587059081 Hartree
12	BD(2)C2-C3	17, 18	1.701808223	-0.251759672 Hartree
13	BD(1)C2-H9	19, 20	1.974395863	-0.490196359 Hartree
14	BD(1)C3-C4	21, 22	1.981619157	-0.602411748 Hartree
15	BD(1)C3-H8	23, 24	1.988880195	-0.504566482 Hartree
16	BD(1)C4-C5	25, 26	1.990544327	-0.652328295 Hartree
17	BD(2)C4-C5	27, 28	1.928894416	-0.285320513 Hartree
18	BD(3)C4-C5	29, 30	1.676735889	-0.261672883 Hartree
19	BD(1)C5-C6	31, 32	1.981619157	-0.602411748 Hartree
20	BD(1)C6-H7	33, 34	1.988880195	-0.504566482 Hartree
21	BD*(1)C1-C2		0.012338950	0.561519311 Hartree
22	BD*(1)C1-C6		0.018388055	0.545306346 Hartree
23	BD*(2)C1-C6		0.332809930	0.020773927 Hartree
24	BD*(1)C1-H10		0.011176030	0.472817317 Hartree
25	BD*(1)C2-C3		0.018388055	0.545306346 Hartree
26	BD*(2)C2-C3		0.332809930	0.020773927 Hartree
27	BD*(1)C2-H9		0.011176030	0.472817317 Hartree
28	BD*(1)C3-C4		0.017895673	0.558101707 Hartree
29	BD*(1)C3-H8		0.020495843	0.474360813 Hartree
30	BD*(1)C4-C5		0.011605910	0.760139795 Hartree
31	BD*(2)C4-C5		0.076680483	0.126488005 Hartree
32	BD*(3)C4-C5		0.247387433	0.107450915 Hartree
33	BD*(1)C5-C6		0.017895673	0.558101707 Hartree
34	BD*(1)C6-H7		0.020495843	0.474360813 Hartree
35	RY(1)C1	35	0.004226889	1.242700562 Hartree
36	RY(2)C1	36	0.002058420	0.732933513 Hartree
37	RY(3)C1	37	0.000678999	1.927694971 Hartree
38	RY(4)C1	38	0.000530680	1.105079727 Hartree
39	RY(5)C1	39	0.000370540	0.739704181 Hartree
40	RY(6)C1	40	0.000105176	2.236551597 Hartree
41	RY(7)C1	41	0.000032079	4.183301195 Hartree
42	RY(8)C1	42	0.000001910	2.192863345 Hartree
43	RY(9)C1	43	0.000000064	2.204466499 Hartree
44	RY(10)C1	44	0.000000000	1.659057715 Hartree
45	RY(1)C2	45	0.004226889	1.242700562 Hartree
46	RY(2)C2	46	0.002058420	0.732933513 Hartree
47	RY(3)C2	47	0.000678999	1.927694971 Hartree
48	RY(4)C2	48	0.000530680	1.105079727 Hartree
49	RY(5)C2	49	0.000370540	0.739704181 Hartree
50	RY(6)C2	50	0.000105176	2.236551597 Hartree
51	RY(7)C2	51	0.000032079	4.183301195 Hartree
52	RY(8)C2	52	0.000001910	2.192863345 Hartree
53	RY(9)C2	53	0.000000064	2.204466499 Hartree
54	RY(10)C2	54	0.000000000	1.659057715 Hartree
55	RY(1)C3	55	0.004835495	1.181047591 Hartree
56	RY(2)C3	56	0.002868898	0.777038989 Hartree
57	RY(3)C3	57	0.000610921	1.739042664 Hartree
58	RY(4)C3	58	0.000568604	1.398532064 Hartree
59	RY(5)C3	59	0.000471265	0.863730519 Hartree
60	RY(6)C3	60	0.000061591	3.147413660 Hartree
61	RY(7)C3	61	0.000039192	2.070654010 Hartree
62	RY(8)C3	62	0.000002623	2.925726293 Hartree
63	RY(9)C3	63	0.000000000	1.743179127 Hartree
64	RY(10)C3	64	0.000000078	2.324687537 Hartree
65	RY(1)C4	65	0.003375629	0.733530526 Hartree
66	RY(2)C4	66	0.002339546	0.797686601 Hartree
67	RY(3)C4	67	0.000777006	1.935286523 Hartree
68	RY(4)C4	68	0.000411455	0.814533437 Hartree
69	RY(5)C4	69	0.000149630	1.244052840 Hartree
70	RY(6)C4	70	0.000054294	2.200031023 Hartree
71	RY(7)C4	71	0.000018487	4.151207947 Hartree
72	RY(8)C4	72	0.000000000	1.746512432 Hartree
73	RY(9)C4	73	0.000000966	2.322081231 Hartree
74	RY(10)C4	74	0.000000223	2.219584778 Hartree
75	RY(1)C5	75	0.003375629	0.733530526 Hartree
76	RY(2)C5	76	0.002339546	0.797686601 Hartree
77	RY(3)C5	77	0.000777006	1.935286523 Hartree
78	RY(4)C5	78	0.000411455	0.814533437 Hartree
79	RY(5)C5	79	0.000149630	1.244052840 Hartree
80	RY(6)C5	80	0.000054294	2.200031023 Hartree
81	RY(7)C5	81	0.000018487	4.151207947 Hartree
82	RY(8)C5	82	0.000000000	1.746512432 Hartree
83	RY(9)C5	83	0.000000966	2.322081235 Hartree
84	RY(10)C5	84	0.000000223	2.219584773 Hartree
85	RY(1)C6	85	0.004835495	1.181047591 Hartree
86	RY(2)C6	86	0.002868898	0.777038989 Hartree
87	RY(3)C6	87	0.000610921	1.739042664 Hartree
88	RY(4)C6	88	0.000568604	1.398532064 Hartree
89	RY(5)C6	89	0.000471265	0.863730519 Hartree
90	RY(6)C6	90	0.000061591	3.147413660 Hartree
91	RY(7)C6	91	0.000039192	2.070654009 Hartree
92	RY(8)C6	92	0.000002623	2.925726293 Hartree
93	RY(9)C6	93	0.000000000	1.743179127 Hartree
94	RY(10)C6	94	0.000000078	2.324687537 Hartree
95	RY(1)H7	95	0.000991265	0.558466753 Hartree
96	RY(1)H8	96	0.000991265	0.558466753 Hartree
97	RY(1)H9	97	0.000762211	0.573774331 Hartree
98	RY(1)H10	98	0.000762211	0.573774331 Hartree

UPON JULIA'S CLOTHES WHENAS IN SILKS MY JULIA GOES, THEN, THEN, METHINKS, HOW SWEETLY FLOWS THAT LIQUEFACTION OF HER CLOTHES. NEXT, WHEN I CAST MINE EYES, AND SEE THAT BRAVE VIBRATION, EACH WAY FREE, O, HOW THAT GLITTERING TAKETH ME! -- ROBERT HERRICK, 1648