WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C4H9(1+)
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-157.55420639 Hartree
Dipole Moment	0.0160 Debye
Server	short (2320737)
CPU time	8.9 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	8.2480174	0.27512424612
b	8.2360595	0.27472537351
c	4.4509973	0.14846928871

Atom	Symbol	Charge
1	C	-0.550170
2	C	0.320964
3	C	-0.550455
4	H	0.272369
5	H	0.264095
6	H	0.240602
7	C	-0.550313
8	H	0.239694
9	H	0.267982
10	H	0.268740
11	H	0.264360
12	H	0.240412
13	H	0.271720

Display Range		- / 78
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-10.51987 Hartree
2	-	2	-10.40484 Hartree
3	-	2	-10.40481 Hartree
4	-	2	-10.40461 Hartree
5	-	2	-1.06681 Hartree
6	-	2	-0.93086 Hartree
7	-	2	-0.93061 Hartree
8	-	2	-0.76212 Hartree
9	-	2	-0.68015 Hartree
10	-	2	-0.67997 Hartree
11	-	2	-0.67482 Hartree
12	-	2	-0.60700 Hartree
13	-	2	-0.60656 Hartree
14	-	2	-0.59394 Hartree
15	-	2	-0.58685 Hartree
16	-	2	-0.58662 Hartree
17	-	0	-0.32284 Hartree
18	-	0	-0.10504 Hartree
19	-	0	-0.05354 Hartree
20	-	0	-0.05163 Hartree
21	-	0	-0.04905 Hartree
22	-	0	-0.04714 Hartree
23	-	0	-0.03085 Hartree
24	-	0	-0.03065 Hartree
25	-	0	-0.02214 Hartree
26	-	0	0.00924 Hartree
27	-	0	0.01594 Hartree
28	-	0	0.09329 Hartree
29	-	0	0.09547 Hartree
30	-	0	0.29433 Hartree
31	-	0	0.29529 Hartree
32	-	0	0.32057 Hartree
33	-	0	0.32296 Hartree
34	-	0	0.38870 Hartree
35	-	0	0.39330 Hartree
36	-	0	0.47332 Hartree
37	-	0	0.49118 Hartree
38	-	0	0.49356 Hartree
39	-	0	0.50800 Hartree
40	-	0	0.55155 Hartree
41	-	0	0.55452 Hartree
42	-	0	0.64156 Hartree
43	-	0	0.64482 Hartree
44	-	0	0.65998 Hartree
45	-	0	0.67997 Hartree
46	-	0	0.71228 Hartree
47	-	0	0.73279 Hartree
48	-	0	0.73344 Hartree
49	-	0	0.73647 Hartree
50	-	0	0.76884 Hartree
51	-	0	0.76924 Hartree
52	-	0	0.99515 Hartree
53	-	0	1.15017 Hartree
54	-	0	1.15349 Hartree
55	-	0	1.17790 Hartree
56	-	0	1.18073 Hartree
57	-	0	1.51908 Hartree
58	-	0	1.60872 Hartree
59	-	0	1.61030 Hartree
60	-	0	1.67341 Hartree
61	-	0	1.76823 Hartree
62	-	0	1.80227 Hartree
63	-	0	1.80470 Hartree
64	-	0	1.88179 Hartree
65	-	0	1.88872 Hartree
66	-	0	2.00935 Hartree
67	-	0	2.03413 Hartree
68	-	0	2.12358 Hartree
69	-	0	2.12562 Hartree
70	-	0	2.16110 Hartree
71	-	0	2.16535 Hartree
72	-	0	2.32474 Hartree
73	-	0	2.54882 Hartree
74	-	0	2.55002 Hartree
75	-	0	3.85529 Hartree
76	-	0	4.03695 Hartree
77	-	0	4.03740 Hartree
78	-	0	4.21176 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.77024
2	C	0.46916
3	C	-0.77035
4	H	0.33590
5	H	0.32131
6	H	0.29087
7	C	-0.77093
8	H	0.28948
9	H	0.32841
10	H	0.32947
11	H	0.32167
12	H	0.29030
13	H	0.33495

Display Range		- / 78
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999997252	-10.404796608 Hartree
2	C1 Val(2s)	1.125093511	-0.418378087 Hartree
3	C1 Ryd(3s)	0.000358799	1.074505749 Hartree
4	C1 Ryd(4s)	0.000026634	4.002981134 Hartree
5	C1 Val(2p)	1.302339515	-0.317388891 Hartree
6	C1 Ryd(3p)	0.003520792	0.492211163 Hartree
7	C1 Val(2p)	1.078072331	-0.283338216 Hartree
8	C1 Ryd(3p)	0.001803964	0.342154824 Hartree
9	C1 Val(2p)	1.254528604	-0.325515779 Hartree
10	C1 Ryd(3p)	0.000166388	0.419202234 Hartree
11	C1 Ryd(3d)	0.000669124	1.874935385 Hartree
12	C1 Ryd(3d)	0.001363170	1.848558012 Hartree
13	C1 Ryd(3d)	0.000052455	1.634075442 Hartree
14	C1 Ryd(3d)	0.001161824	1.937065039 Hartree
15	C1 Ryd(3d)	0.001082669	1.862716791 Hartree
16	C2 Cor(1s)	1.999998256	-10.519851778 Hartree
17	C2 Val(2s)	0.978039981	-0.402901748 Hartree
18	C2 Ryd(3s)	0.000442600	1.431707294 Hartree
19	C2 Ryd(4s)	0.000000219	3.355109386 Hartree
20	C2 Val(2p)	1.066805408	-0.280289150 Hartree
21	C2 Ryd(3p)	0.002490575	0.609357404 Hartree
22	C2 Val(2p)	1.066263827	-0.280434318 Hartree
23	C2 Ryd(3p)	0.002569354	0.608165639 Hartree
24	C2 Val(2p)	0.410012057	-0.347051893 Hartree
25	C2 Ryd(3p)	0.000095082	0.413552339 Hartree
26	C2 Ryd(3d)	0.001137436	2.087067341 Hartree
27	C2 Ryd(3d)	0.000662826	1.632956105 Hartree
28	C2 Ryd(3d)	0.000658948	1.632084661 Hartree
29	C2 Ryd(3d)	0.001137163	2.086035296 Hartree
30	C2 Ryd(3d)	0.000529475	1.922817750 Hartree
31	C3 Cor(1s)	1.999997257	-10.404819928 Hartree
32	C3 Val(2s)	1.125144598	-0.418418499 Hartree
33	C3 Ryd(3s)	0.000375333	1.076539264 Hartree
34	C3 Ryd(4s)	0.000025992	4.001597694 Hartree
35	C3 Val(2p)	1.161808551	-0.292831451 Hartree
36	C3 Ryd(3p)	0.002580164	0.410242177 Hartree
37	C3 Val(2p)	1.218738475	-0.307945549 Hartree
38	C3 Ryd(3p)	0.002783986	0.423477483 Hartree
39	C3 Val(2p)	1.254365851	-0.325565288 Hartree
40	C3 Ryd(3p)	0.000176011	0.418126924 Hartree
41	C3 Ryd(3d)	0.001303787	1.992135611 Hartree
42	C3 Ryd(3d)	0.000340550	1.568813288 Hartree
43	C3 Ryd(3d)	0.001099114	1.913931092 Hartree
44	C3 Ryd(3d)	0.000535589	1.818232757 Hartree
45	C3 Ryd(3d)	0.001079542	1.860613657 Hartree
46	H4 Val(1s)	0.663758950	-0.105582568 Hartree
47	H4 Ryd(2s)	0.000336607	0.478518311 Hartree
48	H5 Val(1s)	0.678294056	-0.092088266 Hartree
49	H5 Ryd(2s)	0.000399054	0.477939203 Hartree
50	H6 Val(1s)	0.708609921	-0.074251661 Hartree
51	H6 Ryd(2s)	0.000519553	0.470705455 Hartree
52	C7 Cor(1s)	1.999997257	-10.404595957 Hartree
53	C7 Val(2s)	1.125083116	-0.418231784 Hartree
54	C7 Ryd(3s)	0.000364848	1.076287646 Hartree
55	C7 Ryd(4s)	0.000026252	4.002375539 Hartree
56	C7 Val(2p)	1.105317343	-0.290933942 Hartree
57	C7 Ryd(3p)	0.001858857	0.346340545 Hartree
58	C7 Val(2p)	1.274073043	-0.309682710 Hartree
59	C7 Ryd(3p)	0.003466073	0.485708917 Hartree
60	C7 Val(2p)	1.256303733	-0.325016118 Hartree
61	C7 Ryd(3p)	0.000158871	0.418645644 Hartree
62	C7 Ryd(3d)	0.000733408	1.841717496 Hartree
63	C7 Ryd(3d)	0.000457997	1.820100260 Hartree
64	C7 Ryd(3d)	0.001072961	1.678162454 Hartree
65	C7 Ryd(3d)	0.001051042	1.967457095 Hartree
66	C7 Ryd(3d)	0.000968217	1.853115281 Hartree
67	H8 Val(1s)	0.710001938	-0.074086942 Hartree
68	H8 Ryd(2s)	0.000517320	0.471358350 Hartree
69	H9 Val(1s)	0.671220927	-0.098313905 Hartree
70	H9 Ryd(2s)	0.000367088	0.478260433 Hartree
71	H10 Val(1s)	0.670170062	-0.098920959 Hartree
72	H10 Ryd(2s)	0.000356565	0.476651541 Hartree
73	H11 Val(1s)	0.677938652	-0.092864815 Hartree
74	H11 Ryd(2s)	0.000393360	0.476667840 Hartree
75	H12 Val(1s)	0.709182660	-0.074423598 Hartree
76	H12 Ryd(2s)	0.000516494	0.470011868 Hartree
77	H13 Val(1s)	0.664709239	-0.105013236 Hartree
78	H13 Ryd(2s)	0.000339499	0.478627992 Hartree

Display Range		- / 78
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999997252	-10.404796608 Hartree
2	CR(1)C2 s(100.00%)	1.999998256	-10.519851778 Hartree
3	CR(1)C3 s(100.00%)	1.999997257	-10.404819928 Hartree
4	CR(1)C7 s(100.00%)	1.999997257	-10.404595957 Hartree
5	BD(1)C1(C2) 1s(28.35%)p2.52(71.57%)d0.00(0.08%)	0.966912740	-0.280470920 Hartree
6	BD(1)C2(C1) 2s(33.31%)p2.00(66.63%)d0.00(0.06%)	1.037455296	-0.318755711 Hartree
7	BD(1)C1(H11) 1s(23.33%)p3.28(76.59%)d0.00(0.08%)	1.265226001	-0.349069540 Hartree
8	BD(1)H11(C1) 11s(100.00%)	0.677938481	-0.092571621 Hartree
9	BD(1)C1(H12) 1s(26.46%)p2.78(73.46%)d0.00(0.08%)	1.284077947	-0.342130749 Hartree
10	BD(1)H12(C1) 12s(100.00%)	0.709182147	-0.073925041 Hartree
11	BD(1)C1(H13) 1s(21.85%)p3.57(78.06%)d0.00(0.09%)	1.250576776	-0.352476732 Hartree
12	BD(1)H13(C1) 13s(100.00%)	0.664709204	-0.104881335 Hartree
13	BD(1)C2(C3) 2s(33.32%)p2.00(66.63%)d0.00(0.06%)	1.037637499	-0.318497452 Hartree
14	BD(1)C3(C2) 3s(28.37%)p2.52(71.55%)d0.00(0.08%)	0.966678228	-0.280065503 Hartree
15	BD(1)C2(C7) 2s(33.32%)p2.00(66.63%)d0.00(0.06%)	1.038081945	-0.318938398 Hartree
16	BD(1)C7(C2) 7s(28.34%)p2.53(71.58%)d0.00(0.08%)	0.966281453	-0.280097860 Hartree
17	BD(1)C3(H4) 3s(21.78%)p3.59(78.12%)d0.00(0.09%)	1.250131971	-0.352688811 Hartree
18	BD(1)H4(C3) 4s(100.00%)	0.663758924	-0.105467008 Hartree
19	BD(1)C3(H5) 3s(23.39%)p3.27(76.52%)d0.00(0.08%)	1.265838075	-0.349030028 Hartree
20	BD(1)H5(C3) 5s(100.00%)	0.678293840	-0.091759145 Hartree
21	BD(1)C3(H6) 3s(26.44%)p2.78(73.48%)d0.00(0.08%)	1.284335723	-0.342331818 Hartree
22	BD(1)H6(C3) 6s(100.00%)	0.708609376	-0.073736777 Hartree
23	BD(1)C7(H8) 7s(26.53%)p2.77(73.39%)d0.00(0.08%)	1.284426883	-0.341882527 Hartree
24	BD(1)H8(C7) 8s(100.00%)	0.710001436	-0.073593911 Hartree
25	BD(1)C7(H9) 7s(22.58%)p3.42(77.33%)d0.00(0.09%)	1.258628389	-0.350649095 Hartree
26	BD(1)H9(C7) 9s(100.00%)	0.671220812	-0.098074153 Hartree
27	BD(1)C7(H10) 7s(22.52%)p3.44(77.39%)d0.00(0.09%)	1.258183020	-0.350752042 Hartree
28	BD(1)H10(C7) 10s(100.00%)	0.670169982	-0.098721245 Hartree
29	RY(1)C1 s(0.33%)p99.99(93.40%)d19.14(6.27%)	0.409570853	-0.345016309 Hartree
30	RY(2)C1 s(26.81%)p2.03(54.45%)d0.70(18.74%)	0.003010216	0.599222622 Hartree
31	RY(3)C1 s(20.95%)p2.41(50.42%)d1.37(28.62%)	0.000185834	0.910154059 Hartree
32	RY(4)C1 s(27.06%)p2.05(55.51%)d0.64(17.43%)	0.000160514	1.087022475 Hartree
33	RY(5)C1 s(3.32%)p4.21(13.98%)d24.92(82.70%)	0.000049293	1.072993967 Hartree
34	RY(6)C1 s(8.76%)p1.62(14.19%)d8.79(77.05%)	0.000021042	1.630291030 Hartree
35	RY(7)C1 s(21.06%)p0.11(2.21%)d3.64(76.73%)	0.000018207	1.626236467 Hartree
36	RY(8)C1 s(69.03%)p0.06(3.90%)d0.39(27.08%)	0.000001149	1.721377541 Hartree
37	RY(9)C1 s(17.53%)p0.53(9.35%)d4.17(73.12%)	0.000000018	3.058063766 Hartree
38	RY(10)C1 s(5.18%)p0.56(2.90%)d17.74(91.91%)	0.000000002	1.892213572 Hartree
39	RY(1)C2 s(0.00%)p1.00(96.30%)d0.04(3.70%)	0.000000042	1.870357239 Hartree
40	RY(2)C2 s(0.00%)p1.00(96.13%)d0.04(3.87%)	0.002661148	0.694205342 Hartree
41	RY(3)C2 s(0.24%)p0.20(0.05%)d99.99(99.71%)	0.002532844	0.696049023 Hartree
42	RY(4)C2 s(0.40%)p0.23(0.09%)d99.99(99.51%)	0.000671618	1.632590303 Hartree
43	RY(5)C2 s(1.06%)p3.70(3.92%)d89.86(95.03%)	0.000654337	1.632854383 Hartree
44	RY(6)C2 s(0.03%)p99.99(3.94%)d99.99(96.03%)	0.000561656	1.984966345 Hartree
45	RY(7)C2 s(96.81%)p0.00(0.04%)d0.03(3.15%)	0.000557134	1.989105362 Hartree
46	RY(8)C2 s(1.91%)p0.00(0.01%)d51.47(98.09%)	0.000446521	1.502081379 Hartree
47	RY(9)C2 s(0.19%)p99.99(99.46%)d1.93(0.36%)	0.000014098	1.832604742 Hartree
48	RY(10)C2 s(99.42%)p0.00(0.19%)d0.00(0.39%)	0.000000001	0.422814361 Hartree
49	RY(1)C3 s(0.35%)p99.99(93.19%)d18.71(6.47%)	0.000000002	3.382112738 Hartree
50	RY(2)C3 s(19.15%)p3.11(59.46%)d1.12(21.39%)	0.002928743	0.602547240 Hartree
51	RY(3)C3 s(27.50%)p1.75(48.25%)d0.88(24.26%)	0.000195272	0.885134866 Hartree
52	RY(4)C3 s(26.75%)p2.03(54.31%)d0.71(18.93%)	0.000159682	1.074993521 Hartree
53	RY(5)C3 s(1.58%)p9.69(15.26%)d52.80(83.16%)	0.000048498	1.097972425 Hartree
54	RY(6)C3 s(12.61%)p0.90(11.39%)d6.03(76.01%)	0.000022867	1.651178633 Hartree
55	RY(7)C3 s(19.99%)p0.06(1.28%)d3.94(78.73%)	0.000017355	1.631055137 Hartree
56	RY(8)C3 s(20.52%)p0.47(9.63%)d3.40(69.85%)	0.000001052	1.720839132 Hartree
57	RY(9)C3 s(68.69%)p0.06(4.08%)d0.40(27.23%)	0.000000003	1.941858634 Hartree
58	RY(10)C3 s(2.90%)p1.20(3.47%)d32.33(93.63%)	0.000000022	3.093513747 Hartree
59	RY(1)H4 s(100.00%)	0.000000051	1.763971985 Hartree
60	RY(1)H5 s(100.00%)	0.000336634	0.478402751 Hartree
61	RY(1)H6 s(100.00%)	0.000399270	0.477610082 Hartree
62	RY(1)C7 s(0.27%)p99.99(93.37%)d23.44(6.36%)	0.000520098	0.470190571 Hartree
63	RY(2)C7 s(27.50%)p1.87(51.53%)d0.76(20.97%)	0.002967610	0.599890481 Hartree
64	RY(3)C7 s(19.35%)p2.96(57.35%)d1.20(23.29%)	0.000187556	0.995372803 Hartree
65	RY(4)C7 s(28.85%)p1.81(52.23%)d0.66(18.92%)	0.000171031	0.926305921 Hartree
66	RY(5)C7 s(1.23%)p14.33(17.65%)d65.87(81.12%)	0.000049401	1.127530869 Hartree
67	RY(6)C7 s(12.10%)p0.77(9.37%)d6.49(78.53%)	0.000021131	1.606345867 Hartree
68	RY(7)C7 s(86.09%)p0.02(1.53%)d0.14(12.38%)	0.000018320	1.670052547 Hartree
69	RY(8)C7 s(0.05%)p99.99(13.53%)d99.99(86.42%)	0.000000021	3.565060345 Hartree
70	RY(9)C7 s(20.89%)p0.06(1.29%)d3.73(77.82%)	0.000000001	1.471325749 Hartree
71	RY(10)C7 s(3.69%)p0.66(2.45%)d25.43(93.86%)	0.000000900	1.761866456 Hartree
72	RY(1)H8 s(100.00%)	0.000000043	1.745676809 Hartree
73	RY(1)H9 s(100.00%)	0.000517821	0.470865319 Hartree
74	RY(1)H10 s(100.00%)	0.000367203	0.478020682 Hartree
75	RY(1)H11 s(100.00%)	0.000356644	0.476451827 Hartree
76	RY(1)H12 s(100.00%)	0.000393532	0.476374646 Hartree
77	RY(1)H13 s(100.00%)	0.000517006	0.469513311 Hartree
78		0.000339534	0.478496091 Hartree

Display Range		- / 78
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	1	1.999997252	-10.404796608 Hartree
2	CR(1)C2	2	1.999998256	-10.519851778 Hartree
3	CR(1)C3	3	1.999997257	-10.404819928 Hartree
4	CR(1)C7	4	1.999997257	-10.404595957 Hartree
5	BD(1)C1-C2	5, 6	1.988919276	-0.814796596 Hartree
6	BD(1)C1-H11	7, 8	1.938395681	-0.680842992 Hartree
7	BD(1)C1-H12	9, 10	1.987762444	-0.684781773 Hartree
8	BD(1)C1-H13	11, 12	1.911263587	-0.678629424 Hartree
9	BD(1)C2-C3	13, 14	1.988904234	-0.814868167 Hartree
10	BD(1)C2-C7	15, 16	1.988942187	-0.814580039 Hartree
11	BD(1)C3-H4	17, 18	1.909968835	-0.678507917 Hartree
12	BD(1)C3-H5	19, 20	1.939233855	-0.680891490 Hartree
13	BD(1)C3-H6	21, 22	1.987451273	-0.684709784 Hartree
14	BD(1)C7-H8	23, 24	1.988956876	-0.684631610 Hartree
15	BD(1)C7-H9	25, 26	1.925348978	-0.679625527 Hartree
16	BD(1)C7-H10	27, 28	1.924064450	-0.679605484 Hartree
17	LV(1)C2	27, 28	0.409570853	-0.345016309 Hartree
18	BD*(1)C1-C2		0.015448761	0.215569966 Hartree
19	BD*(1)C1-H11		0.004768800	0.239201830 Hartree
20	BD*(1)C1-H12		0.005497650	0.268725983 Hartree
21	BD*(1)C1-H13		0.004022393	0.221271357 Hartree
22	BD*(1)C2-C3		0.015411493	0.216305212 Hartree
23	BD*(1)C2-C7		0.015421210	0.215543782 Hartree
24	BD*(1)C3-H4		0.003922060	0.220352098 Hartree
25	BD*(1)C3-H5		0.004898060	0.240102318 Hartree
26	BD*(1)C3-H6		0.005493827	0.268641189 Hartree
27	BD*(1)C7-H8		0.005471443	0.269155172 Hartree
28	BD*(1)C7-H9		0.004500223	0.230902279 Hartree
29	BD*(1)C7-H10		0.004288552	0.230132197 Hartree
30	RY(1)C1	29	0.003010216	0.599222622 Hartree
31	RY(2)C1	30	0.000185834	0.910154059 Hartree
32	RY(3)C1	31	0.000160514	1.087022475 Hartree
33	RY(4)C1	32	0.000049293	1.072993967 Hartree
34	RY(5)C1	33	0.000021042	1.630291030 Hartree
35	RY(6)C1	34	0.000018207	1.626236467 Hartree
36	RY(7)C1	35	0.000001149	1.721377541 Hartree
37	RY(8)C1	36	0.000000018	3.058063766 Hartree
38	RY(9)C1	37	0.000000002	1.892213572 Hartree
39	RY(10)C1	38	0.000000042	1.870357239 Hartree
40	RY(1)C2	39	0.002661148	0.694205342 Hartree
41	RY(2)C2	40	0.002532844	0.696049023 Hartree
42	RY(3)C2	41	0.000671618	1.632590303 Hartree
43	RY(4)C2	42	0.000654337	1.632854383 Hartree
44	RY(5)C2	43	0.000561656	1.984966345 Hartree
45	RY(6)C2	44	0.000557134	1.989105362 Hartree
46	RY(7)C2	45	0.000446521	1.502081379 Hartree
47	RY(8)C2	46	0.000014098	1.832604742 Hartree
48	RY(9)C2	47	0.000000001	0.422814361 Hartree
49	RY(10)C2	48	0.000000002	3.382112738 Hartree
50	RY(1)C3	49	0.002928743	0.602547240 Hartree
51	RY(2)C3	50	0.000195272	0.885134866 Hartree
52	RY(3)C3	51	0.000159682	1.074993521 Hartree
53	RY(4)C3	52	0.000048498	1.097972425 Hartree
54	RY(5)C3	53	0.000022867	1.651178633 Hartree
55	RY(6)C3	54	0.000017355	1.631055137 Hartree
56	RY(7)C3	55	0.000001052	1.720839132 Hartree
57	RY(8)C3	56	0.000000003	1.941858634 Hartree
58	RY(9)C3	57	0.000000022	3.093513747 Hartree
59	RY(10)C3	58	0.000000051	1.763971985 Hartree
60	RY(1)H4	59	0.000336634	0.478402751 Hartree
61	RY(1)H5	60	0.000399270	0.477610082 Hartree
62	RY(1)H6	61	0.000520098	0.470190571 Hartree
63	RY(1)C7	62	0.002967610	0.599890481 Hartree
64	RY(2)C7	63	0.000187556	0.995372803 Hartree
65	RY(3)C7	64	0.000171031	0.926305921 Hartree
66	RY(4)C7	65	0.000049401	1.127530869 Hartree
67	RY(5)C7	66	0.000021131	1.606345867 Hartree
68	RY(6)C7	67	0.000018320	1.670052547 Hartree
69	RY(7)C7	68	0.000000021	3.565060345 Hartree
70	RY(8)C7	69	0.000000001	1.471325749 Hartree
71	RY(9)C7	70	0.000000900	1.761866456 Hartree
72	RY(10)C7	71	0.000000043	1.745676809 Hartree
73	RY(1)H8	72	0.000517821	0.470865319 Hartree
74	RY(1)H9	73	0.000367203	0.478020682 Hartree
75	RY(1)H10	74	0.000356644	0.476451827 Hartree
76	RY(1)H11	75	0.000393532	0.476374646 Hartree
77	RY(1)H12	76	0.000517006	0.469513311 Hartree
78	RY(1)H13	77	0.000339534	0.478496091 Hartree

Display Range		- / 78
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1	2.000000000	-10.404811441 Hartree
2	CR(1)C2	2.000000000	-10.519861450 Hartree
3	CR(1)C3	2.000000000	-10.404834735 Hartree
4	CR(1)C7	2.000000000	-10.404610766 Hartree
5	BD(1)C1-C2	2.000000000	-0.820262896 Hartree
6	BD(1)C1-H11	2.000000000	-0.696503527 Hartree
7	BD(1)C1-H12	2.000000000	-0.690355494 Hartree
8	BD(1)C1-H13	2.000000000	-0.695233325 Hartree
9	BD(1)C2-C3	2.000000000	-0.820383576 Hartree
10	BD(1)C2-C7	2.000000000	-0.820011686 Hartree
11	BD(1)C3-H4	2.000000000	-0.696451725 Hartree
12	BD(1)C3-H5	2.000000000	-0.695839303 Hartree
13	BD(1)C3-H6	2.000000000	-0.690264681 Hartree
14	BD(1)C7-H8	2.000000000	-0.689949405 Hartree
15	BD(1)C7-H9	2.000000000	-0.698045824 Hartree
16	BD(1)C7-H10	2.000000000	-0.693000957 Hartree
17	Unoccupied NLMO	0.000000000	-0.271431601 Hartree
18	Unoccupied NLMO	0.000000000	0.222396809 Hartree
19	Unoccupied NLMO	0.000000000	0.241392957 Hartree
20	Unoccupied NLMO	0.000000000	0.271019523 Hartree
21	Unoccupied NLMO	0.000000000	0.223188761 Hartree
22	Unoccupied NLMO	0.000000000	0.223142431 Hartree
23	Unoccupied NLMO	0.000000000	0.222351736 Hartree
24	Unoccupied NLMO	0.000000000	0.222229901 Hartree
25	Unoccupied NLMO	0.000000000	0.242312365 Hartree
26	Unoccupied NLMO	0.000000000	0.270935624 Hartree
27	Unoccupied NLMO	0.000000000	0.271431863 Hartree
28	Unoccupied NLMO	0.000000000	0.232994236 Hartree
29	Unoccupied NLMO	0.000000000	0.232142550 Hartree
30	Unoccupied NLMO	0.000000000	0.601206519 Hartree
31	Unoccupied NLMO	0.000000000	0.910289741 Hartree
32	Unoccupied NLMO	0.000000000	1.087155075 Hartree
33	Unoccupied NLMO	0.000000000	1.073054636 Hartree
34	Unoccupied NLMO	0.000000000	1.630314175 Hartree
35	Unoccupied NLMO	0.000000000	1.626256738 Hartree
36	Unoccupied NLMO	0.000000000	1.721379484 Hartree
37	Unoccupied NLMO	0.000000000	3.058063840 Hartree
38	Unoccupied NLMO	0.000000000	1.892213584 Hartree
39	Unoccupied NLMO	0.000000000	1.870357465 Hartree
40	Unoccupied NLMO	0.000000000	0.696204855 Hartree
41	Unoccupied NLMO	0.000000000	0.697937045 Hartree
42	Unoccupied NLMO	0.000000000	1.633341352 Hartree
43	Unoccupied NLMO	0.000000000	1.633613069 Hartree
44	Unoccupied NLMO	0.000000000	1.985709331 Hartree
45	Unoccupied NLMO	0.000000000	1.989813703 Hartree
46	Unoccupied NLMO	0.000000000	1.502570539 Hartree
47	Unoccupied NLMO	0.000000000	1.832623218 Hartree
48	Unoccupied NLMO	0.000000000	0.422814365 Hartree
49	Unoccupied NLMO	0.000000000	3.382112749 Hartree
50	Unoccupied NLMO	0.000000000	0.604514417 Hartree
51	Unoccupied NLMO	0.000000000	0.885289180 Hartree
52	Unoccupied NLMO	0.000000000	1.075134810 Hartree
53	Unoccupied NLMO	0.000000000	1.098033320 Hartree
54	Unoccupied NLMO	0.000000000	1.651203980 Hartree
55	Unoccupied NLMO	0.000000000	1.631075640 Hartree
56	Unoccupied NLMO	0.000000000	1.720840830 Hartree
57	Unoccupied NLMO	0.000000000	1.941858654 Hartree
58	Unoccupied NLMO	0.000000000	3.093513848 Hartree
59	Unoccupied NLMO	0.000000000	1.763972218 Hartree
60	Unoccupied NLMO	0.000000000	0.478613226 Hartree
61	Unoccupied NLMO	0.000000000	0.477847821 Hartree
62	Unoccupied NLMO	0.000000000	0.470483673 Hartree
63	Unoccupied NLMO	0.000000000	0.601853379 Hartree
64	Unoccupied NLMO	0.000000000	0.995519200 Hartree
65	Unoccupied NLMO	0.000000000	0.926430207 Hartree
66	Unoccupied NLMO	0.000000000	1.127595758 Hartree
67	Unoccupied NLMO	0.000000000	1.606366670 Hartree
68	Unoccupied NLMO	0.000000000	1.670075602 Hartree
69	Unoccupied NLMO	0.000000000	3.565060463 Hartree
70	Unoccupied NLMO	0.000000000	1.471325756 Hartree
71	Unoccupied NLMO	0.000000000	1.761868075 Hartree
72	Unoccupied NLMO	0.000000000	1.745676972 Hartree
73	Unoccupied NLMO	0.000000000	0.471162935 Hartree
74	Unoccupied NLMO	0.000000000	0.478246160 Hartree
75	Unoccupied NLMO	0.000000000	0.476672081 Hartree
76	Unoccupied NLMO	0.000000000	0.476611308 Hartree
77	Unoccupied NLMO	0.000000000	0.469812688 Hartree
78	Unoccupied NLMO	0.000000000	0.478710442 Hartree

... SUBJECTS WHICH DISCLOSE THEIR FULL POWER, MEANING AND BEAUTY AS SOON AS THEY ARE PRESENTED TO THE MIND HAVE VERY LITTLE OF THOSE QUALITIES TO DISCLOSE. -- CHARLES DUTTON (1882)