WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C6H12
Symmetry	D2H
Basis	6-31G(d)
RB3LYP Energy	-235.830206742 Hartree
Dipole Moment	0.0000 Debye
Server	default (2770080)
CPU time	11.5 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	4.0039702	0.13355806970
b	3.3678979	0.11234098157
c	1.9179109	0.06397462140

Display Range		- / 114
Orbital	Symmetry	Occupancy	Energy	Actions
1	AG	2	-10.17383 Hartree
2	B3U	2	-10.17278 Hartree
3	B1G	2	-10.16985 Hartree
4	B2U	2	-10.16984 Hartree
5	B3U	2	-10.16983 Hartree
6	AG	2	-10.16983 Hartree
7	AG	2	-0.81540 Hartree
8	B3U	2	-0.72497 Hartree
9	B2U	2	-0.70901 Hartree
10	B1G	2	-0.66513 Hartree
11	AG	2	-0.61952 Hartree
12	AG	2	-0.47656 Hartree
13	B3U	2	-0.46651 Hartree
14	B2U	2	-0.44368 Hartree
15	B1U	2	-0.43423 Hartree
16	B2G	2	-0.40946 Hartree
17	B3G	2	-0.38873 Hartree
18	B2U	2	-0.38826 Hartree
19	AU	2	-0.38245 Hartree
20	B3U	2	-0.35670 Hartree
21	B1G	2	-0.34477 Hartree
22	AG	2	-0.34126 Hartree
23	B1G	2	-0.30109 Hartree
24	B1U	2	-0.22250 Hartree
25	B2G	0	0.05371 Hartree
26	AG	0	0.09268 Hartree
27	B3U	0	0.12915 Hartree
28	AG	0	0.13259 Hartree
29	B2U	0	0.14311 Hartree
30	B2U	0	0.15694 Hartree
31	B1U	0	0.16873 Hartree
32	B3G	0	0.17314 Hartree
33	B1G	0	0.18112 Hartree
34	B2G	0	0.19380 Hartree
35	AU	0	0.21182 Hartree
36	AG	0	0.22393 Hartree
37	B3U	0	0.23092 Hartree
38	B2U	0	0.23350 Hartree
39	B3U	0	0.27182 Hartree
40	B1G	0	0.31473 Hartree
41	B1G	0	0.38865 Hartree
42	AG	0	0.49731 Hartree
43	B1U	0	0.50853 Hartree
44	B3G	0	0.50938 Hartree
45	B2U	0	0.51977 Hartree
46	B3U	0	0.52255 Hartree
47	B3U	0	0.53447 Hartree
48	AG	0	0.56459 Hartree
49	B3U	0	0.64058 Hartree
50	B1G	0	0.69222 Hartree
51	AG	0	0.69591 Hartree
52	B2G	0	0.70000 Hartree
53	AU	0	0.70520 Hartree
54	B1U	0	0.71932 Hartree
55	B2U	0	0.73513 Hartree
56	B1G	0	0.75111 Hartree
57	B2G	0	0.76860 Hartree
58	AG	0	0.80917 Hartree
59	B2U	0	0.83655 Hartree
60	B3U	0	0.86492 Hartree
61	B1U	0	0.87029 Hartree
62	B2G	0	0.90669 Hartree
63	B3G	0	0.92103 Hartree
64	B2U	0	0.92105 Hartree
65	AU	0	0.92774 Hartree
66	B1G	0	0.93509 Hartree
67	B3U	0	0.95096 Hartree
68	AG	0	0.95120 Hartree
69	AG	0	0.98255 Hartree
70	B2U	0	0.99989 Hartree
71	B3U	0	1.00897 Hartree
72	B1G	0	1.04616 Hartree
73	AG	0	1.13027 Hartree
74	B3U	0	1.26296 Hartree
75	B1G	0	1.31261 Hartree
76	B1U	0	1.36884 Hartree
77	B2U	0	1.41344 Hartree
78	B3G	0	1.41594 Hartree
79	AU	0	1.49466 Hartree
80	B3U	0	1.49903 Hartree
81	B1G	0	1.53697 Hartree
82	B1G	0	1.76868 Hartree
83	B2U	0	1.77251 Hartree
84	AG	0	1.81971 Hartree
85	B2G	0	1.85172 Hartree
86	B3U	0	1.88393 Hartree
87	B2U	0	1.92273 Hartree
88	B1U	0	1.98342 Hartree
89	B3G	0	2.00859 Hartree
90	AG	0	2.02340 Hartree
91	AG	0	2.07802 Hartree
92	B3U	0	2.10379 Hartree
93	AU	0	2.14345 Hartree
94	B1G	0	2.15747 Hartree
95	B1U	0	2.23679 Hartree
96	B2G	0	2.24536 Hartree
97	B2U	0	2.24565 Hartree
98	B3G	0	2.34230 Hartree
99	B1G	0	2.37366 Hartree
100	B3U	0	2.39923 Hartree
101	AG	0	2.44623 Hartree
102	AU	0	2.47229 Hartree
103	AG	0	2.50228 Hartree
104	B2G	0	2.51985 Hartree
105	B2U	0	2.54913 Hartree
106	B3U	0	2.72166 Hartree
107	B3U	0	2.96036 Hartree
108	B1G	0	3.05695 Hartree
109	AG	0	4.09901 Hartree
110	B3U	0	4.19056 Hartree
111	B2U	0	4.27474 Hartree
112	AG	0	4.33739 Hartree
113	B1G	0	4.34607 Hartree
114	B3U	0	4.60063 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.67078
2	C	-0.02615
3	C	-0.67078
4	H	0.21961
5	H	0.23212
6	H	0.23212
7	C	-0.02615
8	C	-0.67078
9	H	0.21961
10	H	0.23212
11	H	0.23212
12	C	-0.67078
13	H	0.21961
14	H	0.23212
15	H	0.23212
16	H	0.21961
17	H	0.23212
18	H	0.23212

Display Range		- / 114
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999367256	-10.036679921 Hartree
2	C1 Val(2S)	1.094347153	-0.235575993 Hartree
3	C1 Ryd(3S)	0.000141969	1.308705483 Hartree
4	C1 Ryd(4S)	0.000009846	4.262346738 Hartree
5	C1 Val(2p)	1.204277285	-0.068862078 Hartree
6	C1 Ryd(3p)	0.001771534	0.626220676 Hartree
7	C1 Val(2p)	1.125175683	-0.059268993 Hartree
8	C1 Ryd(3p)	0.001286052	0.602884135 Hartree
9	C1 Val(2p)	1.240943534	-0.072114398 Hartree
10	C1 Ryd(3p)	0.000162875	0.660103534 Hartree
11	C1 Ryd(3d)	0.000867171	2.258350027 Hartree
12	C1 Ryd(3d)	0.001144155	2.205444259 Hartree
13	C1 Ryd(3d)	0.000185800	1.784788794 Hartree
14	C1 Ryd(3d)	0.000400977	2.028403649 Hartree
15	C1 Ryd(3d)	0.000696326	2.149160478 Hartree
16	C2 Cor(1S)	1.998680158	-10.020471483 Hartree
17	C2 Val(2S)	0.886307322	-0.117321186 Hartree
18	C2 Ryd(3S)	0.000633198	1.035003751 Hartree
19	C2 Ryd(4S)	0.000048733	4.252569134 Hartree
20	C2 Val(2p)	1.093905567	-0.023471147 Hartree
21	C2 Ryd(3p)	0.002834571	0.817600996 Hartree
22	C2 Val(2p)	1.023084588	-0.019085881 Hartree
23	C2 Ryd(3p)	0.003471677	1.138945224 Hartree
24	C2 Val(2p)	1.011831521	-0.072494280 Hartree
25	C2 Ryd(3p)	0.002081748	0.693319362 Hartree
26	C2 Ryd(3d)	0.000758087	2.412960465 Hartree
27	C2 Ryd(3d)	0.001178474	1.994334691 Hartree
28	C2 Ryd(3d)	0.000250757	1.904930468 Hartree
29	C2 Ryd(3d)	0.000764786	2.460082375 Hartree
30	C2 Ryd(3d)	0.000315973	2.293299953 Hartree
31	C3 Cor(1S)	1.999367256	-10.036679921 Hartree
32	C3 Val(2S)	1.094347153	-0.235575993 Hartree
33	C3 Ryd(3S)	0.000141969	1.308705483 Hartree
34	C3 Ryd(4S)	0.000009846	4.262346738 Hartree
35	C3 Val(2p)	1.204277285	-0.068862078 Hartree
36	C3 Ryd(3p)	0.001771534	0.626220676 Hartree
37	C3 Val(2p)	1.125175683	-0.059268993 Hartree
38	C3 Ryd(3p)	0.001286052	0.602884135 Hartree
39	C3 Val(2p)	1.240943534	-0.072114398 Hartree
40	C3 Ryd(3p)	0.000162875	0.660103534 Hartree
41	C3 Ryd(3d)	0.000867171	2.258350027 Hartree
42	C3 Ryd(3d)	0.001144155	2.205444259 Hartree
43	C3 Ryd(3d)	0.000185800	1.784788794 Hartree
44	C3 Ryd(3d)	0.000400977	2.028403649 Hartree
45	C3 Ryd(3d)	0.000696326	2.149160478 Hartree
46	H4 Val(1S)	0.779776214	0.112823498 Hartree
47	H4 Ryd(2S)	0.000610501	0.750745818 Hartree
48	H5 Val(1S)	0.766669712	0.094579686 Hartree
49	H5 Ryd(2S)	0.001211333	0.660804179 Hartree
50	H6 Val(1S)	0.766669712	0.094579686 Hartree
51	H6 Ryd(2S)	0.001211333	0.660804179 Hartree
52	C7 Cor(1S)	1.998680158	-10.020471483 Hartree
53	C7 Val(2S)	0.886307322	-0.117321186 Hartree
54	C7 Ryd(3S)	0.000633198	1.035003751 Hartree
55	C7 Ryd(4S)	0.000048733	4.252569134 Hartree
56	C7 Val(2p)	1.093905567	-0.023471147 Hartree
57	C7 Ryd(3p)	0.002834571	0.817600996 Hartree
58	C7 Val(2p)	1.023084588	-0.019085881 Hartree
59	C7 Ryd(3p)	0.003471677	1.138945224 Hartree
60	C7 Val(2p)	1.011831521	-0.072494280 Hartree
61	C7 Ryd(3p)	0.002081748	0.693319362 Hartree
62	C7 Ryd(3d)	0.000758087	2.412960465 Hartree
63	C7 Ryd(3d)	0.001178474	1.994334691 Hartree
64	C7 Ryd(3d)	0.000250757	1.904930468 Hartree
65	C7 Ryd(3d)	0.000764786	2.460082375 Hartree
66	C7 Ryd(3d)	0.000315973	2.293299953 Hartree
67	C8 Cor(1S)	1.999367256	-10.036679921 Hartree
68	C8 Val(2S)	1.094347153	-0.235575993 Hartree
69	C8 Ryd(3S)	0.000141969	1.308705483 Hartree
70	C8 Ryd(4S)	0.000009846	4.262346738 Hartree
71	C8 Val(2p)	1.204277285	-0.068862078 Hartree
72	C8 Ryd(3p)	0.001771534	0.626220676 Hartree
73	C8 Val(2p)	1.125175683	-0.059268993 Hartree
74	C8 Ryd(3p)	0.001286052	0.602884135 Hartree
75	C8 Val(2p)	1.240943534	-0.072114398 Hartree
76	C8 Ryd(3p)	0.000162875	0.660103534 Hartree
77	C8 Ryd(3d)	0.000867171	2.258350027 Hartree
78	C8 Ryd(3d)	0.001144155	2.205444259 Hartree
79	C8 Ryd(3d)	0.000185800	1.784788794 Hartree
80	C8 Ryd(3d)	0.000400977	2.028403649 Hartree
81	C8 Ryd(3d)	0.000696326	2.149160478 Hartree
82	H9 Val(1S)	0.779776214	0.112823498 Hartree
83	H9 Ryd(2S)	0.000610501	0.750745818 Hartree
84	H10 Val(1S)	0.766669712	0.094579686 Hartree
85	H10 Ryd(2S)	0.001211333	0.660804179 Hartree
86	H11 Val(1S)	0.766669712	0.094579686 Hartree
87	H11 Ryd(2S)	0.001211333	0.660804179 Hartree
88	C12 Cor(1S)	1.999367256	-10.036679921 Hartree
89	C12 Val(2S)	1.094347153	-0.235575993 Hartree
90	C12 Ryd(3S)	0.000141969	1.308705483 Hartree
91	C12 Ryd(4S)	0.000009846	4.262346738 Hartree
92	C12 Val(2p)	1.204277285	-0.068862078 Hartree
93	C12 Ryd(3p)	0.001771534	0.626220676 Hartree
94	C12 Val(2p)	1.125175683	-0.059268993 Hartree
95	C12 Ryd(3p)	0.001286052	0.602884135 Hartree
96	C12 Val(2p)	1.240943534	-0.072114398 Hartree
97	C12 Ryd(3p)	0.000162875	0.660103534 Hartree
98	C12 Ryd(3d)	0.000867171	2.258350027 Hartree
99	C12 Ryd(3d)	0.001144155	2.205444259 Hartree
100	C12 Ryd(3d)	0.000185800	1.784788794 Hartree
101	C12 Ryd(3d)	0.000400977	2.028403649 Hartree
102	C12 Ryd(3d)	0.000696326	2.149160478 Hartree
103	H13 Val(1S)	0.779776214	0.112823498 Hartree
104	H13 Ryd(2S)	0.000610501	0.750745818 Hartree
105	H14 Val(1S)	0.766669712	0.094579686 Hartree
106	H14 Ryd(2S)	0.001211333	0.660804179 Hartree
107	H15 Val(1S)	0.766669712	0.094579686 Hartree
108	H15 Ryd(2S)	0.001211333	0.660804179 Hartree
109	H16 Val(1S)	0.779776214	0.112823498 Hartree
110	H16 Ryd(2S)	0.000610501	0.750745818 Hartree
111	H17 Val(1S)	0.766669712	0.094579686 Hartree
112	H17 Ryd(2S)	0.001211333	0.660804179 Hartree
113	H18 Val(1S)	0.766669712	0.094579686 Hartree
114	H18 Ryd(2S)	0.001211333	0.660804179 Hartree

Display Range		- / 114
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(26.36%)p2.79(73.60%)d0.00(0.04%)	0.999267521	-0.080391466 Hartree
2	BD(1)C2(C1) 2s(30.24%)p2.31(69.72%)d0.00(0.04%)	1.001893254	-0.082784032 Hartree
3	BD(1)C1(H16) 1s(25.61%)p2.90(74.33%)d0.00(0.06%)	1.215253164	-0.109483812 Hartree
4	BD(1)H16(C1) 16s(100.00%)	0.779776133	0.112653999 Hartree
5	BD(1)C1(H17) 1s(23.99%)p3.17(75.95%)d0.00(0.06%)	1.226871102	-0.116198057 Hartree
6	BD(1)H17(C1) 17s(100.00%)	0.766667839	0.095496953 Hartree
7	BD(1)C1(H18) 1s(23.99%)p3.17(75.95%)d0.00(0.06%)	1.226871102	-0.116198057 Hartree
8	BD(1)H18(C1) 18s(100.00%)	0.766667839	0.095496953 Hartree
9	BD(1)C2(C3) 2s(30.24%)p2.31(69.72%)d0.00(0.04%)	1.001893254	-0.082784032 Hartree
10	BD(1)C3(C2) 3s(26.36%)p2.79(73.60%)d0.00(0.04%)	0.999267521	-0.080391466 Hartree
11	BD(1)C2(C7) 2s(39.49%)p1.53(60.47%)d0.00(0.04%)	1.001145917	0.014757045 Hartree
12	BD(1)C7(C2) 7s(39.49%)p1.53(60.47%)d0.00(0.04%)	1.001145917	0.014757045 Hartree
13	BD(2)C2(C7) 2s(0.00%)p1.00(99.91%)d0.00(0.09%)	1.012592736	-0.072077117 Hartree
14	BD(2)C7(C2) 7s(0.00%)p1.00(99.91%)d0.00(0.09%)	1.012592736	-0.072077117 Hartree
15	BD(1)C3(H4) 3s(25.61%)p2.90(74.33%)d0.00(0.06%)	1.215253164	-0.109483812 Hartree
16	BD(1)H4(C3) 4s(100.00%)	0.779776133	0.112653999 Hartree
17	BD(1)C3(H5) 3s(23.99%)p3.17(75.95%)d0.00(0.06%)	1.226871102	-0.116198057 Hartree
18	BD(1)H5(C3) 5s(100.00%)	0.766667839	0.095496953 Hartree
19	BD(1)C3(H6) 3s(23.99%)p3.17(75.95%)d0.00(0.06%)	1.226871102	-0.116198057 Hartree
20	BD(1)H6(C3) 6s(100.00%)	0.766667839	0.095496953 Hartree
21	BD(1)C7(C8) 7s(30.24%)p2.31(69.72%)d0.00(0.04%)	1.001893254	-0.082784032 Hartree
22	BD(1)C8(C7) 8s(26.36%)p2.79(73.60%)d0.00(0.04%)	0.999267521	-0.080391466 Hartree
23	BD(1)C7(C12) 7s(30.24%)p2.31(69.72%)d0.00(0.04%)	1.001893254	-0.082784032 Hartree
24	BD(1)C12(C7) 12s(26.36%)p2.79(73.60%)d0.00(0.04%)	0.999267521	-0.080391466 Hartree
25	BD(1)C8(H9) 8s(25.61%)p2.90(74.33%)d0.00(0.06%)	1.215253164	-0.109483812 Hartree
26	BD(1)H9(C8) 9s(100.00%)	0.779776133	0.112653999 Hartree
27	BD(1)C8(H10) 8s(23.99%)p3.17(75.95%)d0.00(0.06%)	1.226871102	-0.116198057 Hartree
28	BD(1)H10(C8) 10s(100.00%)	0.766667839	0.095496953 Hartree
29	BD(1)C8(H11) 8s(23.99%)p3.17(75.95%)d0.00(0.06%)	1.226871102	-0.116198057 Hartree
30	BD(1)H11(C8) 11s(100.00%)	0.766667839	0.095496953 Hartree
31	BD(1)C12(H13) 12s(25.61%)p2.90(74.33%)d0.00(0.06%)	1.215253164	-0.109483812 Hartree
32	BD(1)H13(C12) 13s(100.00%)	0.779776133	0.112653999 Hartree
33	BD(1)C12(H14) 12s(23.99%)p3.17(75.95%)d0.00(0.06%)	1.226871102	-0.116198057 Hartree
34	BD(1)H14(C12) 14s(100.00%)	0.766667839	0.095496953 Hartree
35	BD(1)C12(H15) 12s(23.99%)p3.17(75.95%)d0.00(0.06%)	1.226871102	-0.116198057 Hartree
36	BD(1)H15(C12) 15s(100.00%)	0.766667839	0.095496953 Hartree
37	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999367580	-10.036480462 Hartree
38	CR(1)C2 s(100.00%)p0.00(0.00%)	1.998688870	-10.020940400 Hartree
39	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999367580	-10.036480462 Hartree
40	CR(1)C7 s(100.00%)p0.00(0.00%)	1.998688870	-10.020940400 Hartree
41	CR(1)C8 s(100.00%)p0.00(0.00%)	1.999367580	-10.036480462 Hartree
42	CR(1)C12 s(100.00%)p0.00(0.00%)	1.999367580	-10.036480462 Hartree
43	RY*(1)C1 s(0.02%)p99.99(89.03%)d99.99(10.95%)	0.001964362	0.831469559 Hartree
44	RY*(2)C1 s(0.00%)p1.00(25.77%)d2.88(74.23%)	0.000534290	1.733310305 Hartree
45	RY*(3)C1 s(17.21%)p4.75(81.72%)d0.06(1.07%)	0.000519150	0.705528035 Hartree
46	RY*(4)C1 s(48.83%)p0.30(14.63%)d0.75(36.55%)	0.000053367	1.511396885 Hartree
47	RY*(5)C1 s(0.00%)p1.00(68.68%)d0.46(31.32%)	0.000036960	1.045910465 Hartree
48	RY*(6)C1 s(7.43%)p0.96(7.11%)d11.50(85.46%)	0.000010013	2.026111509 Hartree
49	RY*(7)C1 s(99.70%)p0.00(0.13%)d0.00(0.17%)	0.000007764	4.249921303 Hartree
50	RY*(8)C1 s(26.82%)p0.26(7.06%)d2.46(66.11%)	0.000011852	1.766922659 Hartree
51	RY*(9)C1 s(0.00%)p1.00(5.63%)d16.78(94.37%)	0.000000853	1.866218369 Hartree
52	RY*(10)C1 s(0.03%)p13.25(0.42%)d99.99(99.54%)	0.000008538	2.135869154 Hartree
53	RY*(1)C2 s(0.00%)p1.00(88.68%)d0.13(11.32%)	0.003737779	1.331802152 Hartree
54	RY*(2)C2 s(8.18%)p10.68(87.39%)d0.54(4.42%)	0.002787115	0.906911534 Hartree
55	RY*(3)C2 s(0.00%)p1.00(83.27%)d0.20(16.73%)	0.002467648	0.915737649 Hartree
56	RY*(4)C2 s(89.58%)p0.07(5.99%)d0.05(4.43%)	0.000301811	1.087001122 Hartree
57	RY*(5)C2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000250757	1.904930468 Hartree
58	RY*(6)C2 s(6.13%)p0.87(5.36%)d14.44(88.51%)	0.000235551	2.358827479 Hartree
59	RY*(7)C2 s(0.00%)p1.00(11.35%)d7.81(88.65%)	0.000092570	2.221843588 Hartree
60	RY*(8)C2 s(91.66%)p0.01(1.21%)d0.08(7.13%)	0.000021547	4.102722519 Hartree
61	RY*(9)C2 s(0.00%)p1.00(16.82%)d4.95(83.18%)	0.000031358	1.771499242 Hartree
62	RY*(10)C2 s(4.46%)p0.02(0.11%)d21.38(95.43%)	0.000006990	2.392755225 Hartree
63	RY*(1)C3 s(0.02%)p99.99(89.03%)d99.99(10.95%)	0.001964362	0.831469559 Hartree
64	RY*(2)C3 s(0.00%)p1.00(25.77%)d2.88(74.23%)	0.000534290	1.733310305 Hartree
65	RY*(3)C3 s(17.21%)p4.75(81.72%)d0.06(1.07%)	0.000519150	0.705528035 Hartree
66	RY*(4)C3 s(48.83%)p0.30(14.63%)d0.75(36.55%)	0.000053367	1.511396885 Hartree
67	RY*(5)C3 s(0.00%)p1.00(68.68%)d0.46(31.32%)	0.000036960	1.045910465 Hartree
68	RY*(6)C3 s(7.43%)p0.96(7.11%)d11.50(85.46%)	0.000010013	2.026111509 Hartree
69	RY*(7)C3 s(99.70%)p0.00(0.13%)d0.00(0.17%)	0.000007764	4.249921303 Hartree
70	RY*(8)C3 s(26.82%)p0.26(7.06%)d2.46(66.11%)	0.000011852	1.766922659 Hartree
71	RY*(9)C3 s(0.00%)p1.00(5.63%)d16.78(94.37%)	0.000000853	1.866218369 Hartree
72	RY*(10)C3 s(0.03%)p13.25(0.42%)d99.99(99.54%)	0.000008538	2.135869154 Hartree
73	RY*(1)H4 s(100.00%)	0.000610582	0.750915317 Hartree
74	RY*(1)H5 s(100.00%)	0.001213205	0.659886912 Hartree
75	RY*(1)H6 s(100.00%)	0.001213205	0.659886912 Hartree
76	RY*(1)C7 s(0.00%)p1.00(88.68%)d0.13(11.32%)	0.003737779	1.331802152 Hartree
77	RY*(2)C7 s(8.18%)p10.68(87.39%)d0.54(4.42%)	0.002787115	0.906911534 Hartree
78	RY*(3)C7 s(0.00%)p1.00(83.27%)d0.20(16.73%)	0.002467648	0.915737649 Hartree
79	RY*(4)C7 s(89.58%)p0.07(5.99%)d0.05(4.43%)	0.000301811	1.087001122 Hartree
80	RY*(5)C7 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000250757	1.904930468 Hartree
81	RY*(6)C7 s(6.13%)p0.87(5.36%)d14.44(88.51%)	0.000235551	2.358827479 Hartree
82	RY*(7)C7 s(0.00%)p1.00(11.35%)d7.81(88.65%)	0.000092570	2.221843588 Hartree
83	RY*(8)C7 s(91.66%)p0.01(1.21%)d0.08(7.13%)	0.000021547	4.102722519 Hartree
84	RY*(9)C7 s(0.00%)p1.00(16.82%)d4.95(83.18%)	0.000031358	1.771499242 Hartree
85	RY*(10)C7 s(4.46%)p0.02(0.11%)d21.38(95.43%)	0.000006990	2.392755226 Hartree
86	RY*(1)C8 s(0.02%)p99.99(89.03%)d99.99(10.95%)	0.001964362	0.831469559 Hartree
87	RY*(2)C8 s(0.00%)p1.00(25.77%)d2.88(74.23%)	0.000534290	1.733310305 Hartree
88	RY*(3)C8 s(17.21%)p4.75(81.72%)d0.06(1.07%)	0.000519150	0.705528035 Hartree
89	RY*(4)C8 s(48.83%)p0.30(14.63%)d0.75(36.55%)	0.000053367	1.511396885 Hartree
90	RY*(5)C8 s(0.00%)p1.00(68.68%)d0.46(31.32%)	0.000036960	1.045910465 Hartree
91	RY*(6)C8 s(7.43%)p0.96(7.11%)d11.50(85.46%)	0.000010013	2.026111509 Hartree
92	RY*(7)C8 s(99.70%)p0.00(0.13%)d0.00(0.17%)	0.000007764	4.249921303 Hartree
93	RY*(8)C8 s(26.82%)p0.26(7.06%)d2.46(66.11%)	0.000011852	1.766922659 Hartree
94	RY*(9)C8 s(0.00%)p1.00(5.63%)d16.78(94.37%)	0.000000853	1.866218369 Hartree
95	RY*(10)C8 s(0.03%)p13.25(0.42%)d99.99(99.54%)	0.000008538	2.135869154 Hartree
96	RY*(1)H9 s(100.00%)	0.000610582	0.750915317 Hartree
97	RY*(1)H10 s(100.00%)	0.001213205	0.659886912 Hartree
98	RY*(1)H11 s(100.00%)	0.001213205	0.659886912 Hartree
99	RY*(1)C12 s(0.02%)p99.99(89.03%)d99.99(10.95%)	0.001964362	0.831469559 Hartree
100	RY*(2)C12 s(0.00%)p1.00(25.77%)d2.88(74.23%)	0.000534290	1.733310305 Hartree
101	RY*(3)C12 s(17.21%)p4.75(81.72%)d0.06(1.07%)	0.000519150	0.705528035 Hartree
102	RY*(4)C12 s(48.83%)p0.30(14.63%)d0.75(36.55%)	0.000053367	1.511396885 Hartree
103	RY*(5)C12 s(0.00%)p1.00(68.68%)d0.46(31.32%)	0.000036960	1.045910465 Hartree
104	RY*(6)C12 s(7.43%)p0.96(7.11%)d11.50(85.46%)	0.000010013	2.026111509 Hartree
105	RY*(7)C12 s(99.70%)p0.00(0.13%)d0.00(0.17%)	0.000007764	4.249921303 Hartree
106	RY*(8)C12 s(26.82%)p0.26(7.06%)d2.46(66.11%)	0.000011852	1.766922659 Hartree
107	RY*(9)C12 s(0.00%)p1.00(5.63%)d16.78(94.37%)	0.000000853	1.866218369 Hartree
108	RY*(10)C12 s(0.03%)p13.25(0.42%)d99.99(99.54%)	0.000008538	2.135869154 Hartree
109	RY*(1)H13 s(100.00%)	0.000610582	0.750915317 Hartree
110	RY*(1)H14 s(100.00%)	0.001213205	0.659886912 Hartree
111	RY*(1)H15 s(100.00%)	0.001213205	0.659886912 Hartree
112	RY*(1)H16 s(100.00%)	0.000610582	0.750915317 Hartree
113	RY*(1)H17 s(100.00%)	0.001213205	0.659886912 Hartree
114	RY*(1)H18 s(100.00%)	0.001213205	0.659886912 Hartree

Display Range		- / 114
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	6421, 6422	1.980719750	-0.571387753 Hartree
2	BD(1)C1-H16	6423, 6424	1.980510684	-0.495006907 Hartree
3	BD(1)C1-H17	6425, 6426	1.984290743	-0.487043423 Hartree
4	BD(1)C1-H18	6427, 6428	1.984290743	-0.487043423 Hartree
5	BD(1)C2-C3	6429, 6430	1.980719749	-0.571387753 Hartree
6	BD(1)C2-C7	6431, 6432	1.979401763	-0.733690583 Hartree
7	BD(2)C2-C7	6433, 6434	1.935764848	-0.245677038 Hartree
8	BD(1)C3-H4	6435, 6436	1.980510684	-0.495006907 Hartree
9	BD(1)C3-H5	6437, 6438	1.984290743	-0.487043423 Hartree
10	BD(1)C3-H6	6439, 6440	1.984290743	-0.487043423 Hartree
11	BD(1)C7-C8	6441, 6442	1.980719749	-0.571387753 Hartree
12	BD(1)C7-C12	6443, 6444	1.980719750	-0.571387753 Hartree
13	BD(1)C8-H9	6445, 6446	1.980510684	-0.495006907 Hartree
14	BD(1)C8-H10	6447, 6448	1.984290743	-0.487043423 Hartree
15	BD(1)C8-H11	6449, 6450	1.984290743	-0.487043423 Hartree
16	BD(1)C12-H13	6451, 6452	1.980510684	-0.495006907 Hartree
17	BD(1)C12-H14	6453, 6454	1.984290743	-0.487043423 Hartree
18	BD(1)C12-H15	6455, 6456	1.984290743	-0.487043423 Hartree
19	CR(1)C1	6457	1.999367580	-10.036480462 Hartree
20	CR(1)C2	6458	1.998688870	-10.020940400 Hartree
21	CR(1)C3	6459	1.999367580	-10.036480462 Hartree
22	CR(1)C7	6460	1.998688870	-10.020940400 Hartree
23	CR(1)C8	6461	1.999367580	-10.036480462 Hartree
24	CR(1)C12	6462	1.999367580	-10.036480462 Hartree
25	RY*(1)C1	6463	0.001964362	0.831469559 Hartree
26	RY*(2)C1	6464	0.000534290	1.733310305 Hartree
27	RY*(3)C1	6465	0.000519150	0.705528035 Hartree
28	RY*(4)C1	6466	0.000053367	1.511396885 Hartree
29	RY*(5)C1	6467	0.000036960	1.045910465 Hartree
30	RY*(6)C1	6468	0.000010013	2.026111509 Hartree
31	RY*(7)C1	6469	0.000007764	4.249921303 Hartree
32	RY*(8)C1	6470	0.000011852	1.766922659 Hartree
33	RY*(9)C1	6471	0.000000853	1.866218369 Hartree
34	RY*(10)C1	6472	0.000008538	2.135869154 Hartree
35	RY*(1)C2	6473	0.003737779	1.331802152 Hartree
36	RY*(2)C2	6474	0.002787115	0.906911534 Hartree
37	RY*(3)C2	6475	0.002467648	0.915737649 Hartree
38	RY*(4)C2	6476	0.000301811	1.087001122 Hartree
39	RY*(5)C2	6477	0.000250757	1.904930468 Hartree
40	RY*(6)C2	6478	0.000235551	2.358827479 Hartree
41	RY*(7)C2	6479	0.000092570	2.221843588 Hartree
42	RY*(8)C2	6480	0.000021547	4.102722519 Hartree
43	RY*(9)C2	6481	0.000031358	1.771499242 Hartree
44	RY*(10)C2	6482	0.000006990	2.392755225 Hartree
45	RY*(1)C3	6483	0.001964362	0.831469559 Hartree
46	RY*(2)C3	6484	0.000534290	1.733310305 Hartree
47	RY*(3)C3	6485	0.000519150	0.705528035 Hartree
48	RY*(4)C3	6486	0.000053367	1.511396885 Hartree
49	RY*(5)C3	6487	0.000036960	1.045910465 Hartree
50	RY*(6)C3	6488	0.000010013	2.026111509 Hartree
51	RY*(7)C3	6489	0.000007764	4.249921303 Hartree
52	RY*(8)C3	6490	0.000011852	1.766922659 Hartree
53	RY*(9)C3	6491	0.000000853	1.866218369 Hartree
54	RY*(10)C3	6492	0.000008538	2.135869154 Hartree
55	RY*(1)H4	6493	0.000610582	0.750915317 Hartree
56	RY*(1)H5	6494	0.001213205	0.659886912 Hartree
57	RY*(1)H6	6495	0.001213205	0.659886912 Hartree
58	RY*(1)C7	6496	0.003737779	1.331802152 Hartree
59	RY*(2)C7	6497	0.002787115	0.906911534 Hartree
60	RY*(3)C7	6498	0.002467648	0.915737649 Hartree
61	RY*(4)C7	6499	0.000301811	1.087001122 Hartree
62	RY*(5)C7	6500	0.000250757	1.904930468 Hartree
63	RY*(6)C7	6501	0.000235551	2.358827479 Hartree
64	RY*(7)C7	6502	0.000092570	2.221843588 Hartree
65	RY*(8)C7	6503	0.000021547	4.102722519 Hartree
66	RY*(9)C7	6504	0.000031358	1.771499242 Hartree
67	RY*(10)C7	6505	0.000006990	2.392755226 Hartree
68	RY*(1)C8	6506	0.001964362	0.831469559 Hartree
69	RY*(2)C8	6507	0.000534290	1.733310305 Hartree
70	RY*(3)C8	6508	0.000519150	0.705528035 Hartree
71	RY*(4)C8	6509	0.000053367	1.511396885 Hartree
72	RY*(5)C8	6510	0.000036960	1.045910465 Hartree
73	RY*(6)C8	6511	0.000010013	2.026111509 Hartree
74	RY*(7)C8	6512	0.000007764	4.249921303 Hartree
75	RY*(8)C8	6513	0.000011852	1.766922659 Hartree
76	RY*(9)C8	6514	0.000000853	1.866218369 Hartree
77	RY*(10)C8	6515	0.000008538	2.135869154 Hartree
78	RY*(1)H9	6516	0.000610582	0.750915317 Hartree
79	RY*(1)H10	6517	0.001213205	0.659886912 Hartree
80	RY*(1)H11	6518	0.001213205	0.659886912 Hartree
81	RY*(1)C12	6519	0.001964362	0.831469559 Hartree
82	RY*(2)C12	6520	0.000534290	1.733310305 Hartree
83	RY*(3)C12	6521	0.000519150	0.705528035 Hartree
84	RY*(4)C12	6522	0.000053367	1.511396885 Hartree
85	RY*(5)C12	6523	0.000036960	1.045910465 Hartree
86	RY*(6)C12	6524	0.000010013	2.026111509 Hartree
87	RY*(7)C12	6525	0.000007764	4.249921303 Hartree
88	RY*(8)C12	6526	0.000011852	1.766922659 Hartree
89	RY*(9)C12	6527	0.000000853	1.866218369 Hartree
90	RY*(10)C12	6528	0.000008538	2.135869154 Hartree
91	RY*(1)H13	6529	0.000610582	0.750915317 Hartree
92	RY*(1)H14	6530	0.001213205	0.659886912 Hartree
93	RY*(1)H15	6531	0.001213205	0.659886912 Hartree
94	RY*(1)H16	6532	0.000610582	0.750915317 Hartree
95	RY*(1)H17	6533	0.001213205	0.659886912 Hartree
96	RY*(1)H18	6534	0.001213205	0.659886912 Hartree
97	BD*(1)C1-C2		0.020441025	0.408212255 Hartree
98	BD*(1)C1-H16		0.014518612	0.498177094 Hartree
99	BD*(1)C1-H17		0.009248197	0.466342319 Hartree
100	BD*(1)C1-H18		0.009248197	0.466342319 Hartree
101	BD*(1)C2-C3		0.020441025	0.408212255 Hartree
102	BD*(1)C2-C7		0.022890069	0.763204674 Hartree
103	BD*(2)C2-C7		0.089420622	0.101522804 Hartree
104	BD*(1)C3-H4		0.014518612	0.498177094 Hartree
105	BD*(1)C3-H5		0.009248197	0.466342319 Hartree
106	BD*(1)C3-H6		0.009248197	0.466342319 Hartree
107	BD*(1)C7-C8		0.020441025	0.408212255 Hartree
108	BD*(1)C7-C12		0.020441025	0.408212255 Hartree
109	BD*(1)C8-H9		0.014518612	0.498177094 Hartree
110	BD*(1)C8-H10		0.009248197	0.466342319 Hartree
111	BD*(1)C8-H11		0.009248197	0.466342319 Hartree
112	BD*(1)C12-H13		0.014518612	0.498177094 Hartree
113	BD*(1)C12-H14		0.009248197	0.466342319 Hartree
114	BD*(1)C12-H15		0.009248197	0.466342319 Hartree

NOTHING WILL BE ATTEMPTED IF ALL POSSIBLE OBJECTIONS MUST FIRST BE OVERCOME. -- THE GOLDEN PRINCIPLE, PAUL DICKSON'S "THE OFFICIAL RULES"