WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C6H10
Symmetry	CS
Basis	6-31G(d)
RB3LYP Energy	-234.546230554 Hartree
Dipole Moment	0.4003 Debye
Server	default (2770154)
CPU time	36.8 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	6.8723015	0.22923530318
b	2.4226646	0.08081139253
c	1.8326967	0.06113218165

Display Range		- / 110
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-10.18049 Hartree
2	-	2	-10.18032 Hartree
3	-	2	-10.17924 Hartree
4	-	2	-10.17453 Hartree
5	-	2	-10.17138 Hartree
6	-	2	-10.15673 Hartree
7	-	2	-0.82264 Hartree
8	-	2	-0.75403 Hartree
9	-	2	-0.71170 Hartree
10	-	2	-0.66627 Hartree
11	-	2	-0.55094 Hartree
12	-	2	-0.54598 Hartree
13	-	2	-0.47080 Hartree
14	-	2	-0.43253 Hartree
15	-	2	-0.42340 Hartree
16	-	2	-0.41254 Hartree
17	-	2	-0.40483 Hartree
18	-	2	-0.38954 Hartree
19	-	2	-0.36824 Hartree
20	-	2	-0.33513 Hartree
21	-	2	-0.29088 Hartree
22	-	2	-0.27886 Hartree
23	-	2	-0.22012 Hartree
24	-	0	0.00281 Hartree
25	-	0	0.07325 Hartree
26	-	0	0.10198 Hartree
27	-	0	0.11331 Hartree
28	-	0	0.13837 Hartree
29	-	0	0.14839 Hartree
30	-	0	0.16723 Hartree
31	-	0	0.17799 Hartree
32	-	0	0.18289 Hartree
33	-	0	0.19296 Hartree
34	-	0	0.20867 Hartree
35	-	0	0.22295 Hartree
36	-	0	0.25021 Hartree
37	-	0	0.31752 Hartree
38	-	0	0.32729 Hartree
39	-	0	0.36089 Hartree
40	-	0	0.42547 Hartree
41	-	0	0.51471 Hartree
42	-	0	0.54568 Hartree
43	-	0	0.54964 Hartree
44	-	0	0.56871 Hartree
45	-	0	0.56872 Hartree
46	-	0	0.58336 Hartree
47	-	0	0.60765 Hartree
48	-	0	0.60854 Hartree
49	-	0	0.64827 Hartree
50	-	0	0.66021 Hartree
51	-	0	0.70195 Hartree
52	-	0	0.74996 Hartree
53	-	0	0.75769 Hartree
54	-	0	0.76852 Hartree
55	-	0	0.78823 Hartree
56	-	0	0.84050 Hartree
57	-	0	0.87210 Hartree
58	-	0	0.87458 Hartree
59	-	0	0.88254 Hartree
60	-	0	0.90626 Hartree
61	-	0	0.92241 Hartree
62	-	0	0.92261 Hartree
63	-	0	0.95063 Hartree
64	-	0	0.95883 Hartree
65	-	0	0.97479 Hartree
66	-	0	1.01711 Hartree
67	-	0	1.07485 Hartree
68	-	0	1.08776 Hartree
69	-	0	1.13512 Hartree
70	-	0	1.22236 Hartree
71	-	0	1.33799 Hartree
72	-	0	1.34854 Hartree
73	-	0	1.36502 Hartree
74	-	0	1.42979 Hartree
75	-	0	1.48214 Hartree
76	-	0	1.48304 Hartree
77	-	0	1.50558 Hartree
78	-	0	1.60766 Hartree
79	-	0	1.68893 Hartree
80	-	0	1.72214 Hartree
81	-	0	1.82823 Hartree
82	-	0	1.87949 Hartree
83	-	0	1.92665 Hartree
84	-	0	1.96192 Hartree
85	-	0	1.99514 Hartree
86	-	0	2.02015 Hartree
87	-	0	2.08058 Hartree
88	-	0	2.12114 Hartree
89	-	0	2.16500 Hartree
90	-	0	2.19348 Hartree
91	-	0	2.22763 Hartree
92	-	0	2.25944 Hartree
93	-	0	2.26858 Hartree
94	-	0	2.31469 Hartree
95	-	0	2.35844 Hartree
96	-	0	2.43491 Hartree
97	-	0	2.46769 Hartree
98	-	0	2.56061 Hartree
99	-	0	2.56346 Hartree
100	-	0	2.65461 Hartree
101	-	0	2.72105 Hartree
102	-	0	2.79415 Hartree
103	-	0	2.93955 Hartree
104	-	0	3.11753 Hartree
105	-	0	4.09271 Hartree
106	-	0	4.12841 Hartree
107	-	0	4.18347 Hartree
108	-	0	4.32104 Hartree
109	-	0	4.38246 Hartree
110	-	0	4.55068 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.70016
2	C	-0.22178
3	C	-0.26280
4	C	-0.23797
5	C	-0.21438
6	C	-0.73476
7	H	0.23999
8	H	0.25506
9	H	0.25506
10	H	0.22962
11	H	0.23044
12	H	0.22264
13	H	0.23617
14	H	0.22983
15	H	0.23653
16	H	0.23653

Display Range		- / 110
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999445723	-10.042943318 Hartree
2	C1 Val(2S)	1.109672003	-0.246685385 Hartree
3	C1 Ryd(3S)	0.000260586	1.297758727 Hartree
4	C1 Ryd(4S)	0.000006568	4.225833594 Hartree
5	C1 Val(2p)	1.246028343	-0.072001888 Hartree
6	C1 Ryd(3p)	0.002709391	0.682553729 Hartree
7	C1 Val(2p)	1.093322567	-0.062191849 Hartree
8	C1 Ryd(3p)	0.000921289	0.543369927 Hartree
9	C1 Val(2p)	1.244153485	-0.070890504 Hartree
10	C1 Ryd(3p)	0.000284011	0.637666331 Hartree
11	C1 Ryd(3d)	0.000607593	2.032110911 Hartree
12	C1 Ryd(3d)	0.000675737	2.059387107 Hartree
13	C1 Ryd(3d)	0.000638941	1.913047640 Hartree
14	C1 Ryd(3d)	0.000759203	2.224488216 Hartree
15	C1 Ryd(3d)	0.000671479	2.143116540 Hartree
16	C2 Cor(1S)	1.998959732	-10.003930183 Hartree
17	C2 Val(2S)	0.974145606	-0.150317627 Hartree
18	C2 Ryd(3S)	0.001986290	1.004576067 Hartree
19	C2 Ryd(4S)	0.000053737	4.208346486 Hartree
20	C2 Val(2p)	1.208539293	-0.019158030 Hartree
21	C2 Ryd(3p)	0.003760434	0.818047531 Hartree
22	C2 Val(2p)	1.054467171	-0.022984423 Hartree
23	C2 Ryd(3p)	0.004023444	1.040531059 Hartree
24	C2 Val(2p)	0.970837642	-0.082815968 Hartree
25	C2 Ryd(3p)	0.002100022	0.688023047 Hartree
26	C2 Ryd(3d)	0.000812215	2.408455139 Hartree
27	C2 Ryd(3d)	0.000582024	1.900128397 Hartree
28	C2 Ryd(3d)	0.000481393	1.896434411 Hartree
29	C2 Ryd(3d)	0.000625688	2.396109522 Hartree
30	C2 Ryd(3d)	0.000406035	2.232715985 Hartree
31	C3 Cor(1S)	1.998845647	-10.026349096 Hartree
32	C3 Val(2S)	0.973434102	-0.155419900 Hartree
33	C3 Ryd(3S)	0.000990077	1.078092145 Hartree
34	C3 Ryd(4S)	0.000039445	4.119136817 Hartree
35	C3 Val(2p)	1.188119997	-0.040661972 Hartree
36	C3 Ryd(3p)	0.005138519	0.961937486 Hartree
37	C3 Val(2p)	1.060139053	-0.022890722 Hartree
38	C3 Ryd(3p)	0.004749310	0.876322646 Hartree
39	C3 Val(2p)	1.028001659	-0.088283217 Hartree
40	C3 Ryd(3p)	0.000339187	0.635291499 Hartree
41	C3 Ryd(3d)	0.000839262	2.400213113 Hartree
42	C3 Ryd(3d)	0.000563491	1.902490614 Hartree
43	C3 Ryd(3d)	0.000401315	1.875814058 Hartree
44	C3 Ryd(3d)	0.000753214	2.400012521 Hartree
45	C3 Ryd(3d)	0.000449149	2.269941634 Hartree
46	C4 Cor(1S)	1.998886067	-10.032692260 Hartree
47	C4 Val(2S)	0.975216114	-0.162317883 Hartree
48	C4 Ryd(3S)	0.000891778	1.117484012 Hartree
49	C4 Ryd(4S)	0.000025870	4.082391602 Hartree
50	C4 Val(2p)	1.185303033	-0.041860003 Hartree
51	C4 Ryd(3p)	0.005328466	0.962378329 Hartree
52	C4 Val(2p)	1.064751583	-0.024297353 Hartree
53	C4 Ryd(3p)	0.004435642	0.847327039 Hartree
54	C4 Val(2p)	0.999775862	-0.088516358 Hartree
55	C4 Ryd(3p)	0.000279636	0.632120254 Hartree
56	C4 Ryd(3d)	0.000864646	2.396374257 Hartree
57	C4 Ryd(3d)	0.000558091	1.889105025 Hartree
58	C4 Ryd(3d)	0.000513070	1.874244786 Hartree
59	C4 Ryd(3d)	0.000693780	2.357109084 Hartree
60	C4 Ryd(3d)	0.000448079	2.258860674 Hartree
61	C5 Cor(1S)	1.998922857	-10.033446152 Hartree
62	C5 Val(2S)	0.967545118	-0.166379173 Hartree
63	C5 Ryd(3S)	0.001146162	1.039744345 Hartree
64	C5 Ryd(4S)	0.000047272	4.164460739 Hartree
65	C5 Val(2p)	1.037807941	-0.027792596 Hartree
66	C5 Ryd(3p)	0.004335794	0.688789002 Hartree
67	C5 Val(2p)	1.180511441	-0.038376719 Hartree
68	C5 Ryd(3p)	0.004261746	1.053896174 Hartree
69	C5 Val(2p)	1.014941504	-0.091653581 Hartree
70	C5 Ryd(3p)	0.001932122	0.625095446 Hartree
71	C5 Ryd(3d)	0.000639127	2.377117434 Hartree
72	C5 Ryd(3d)	0.000687864	1.962562849 Hartree
73	C5 Ryd(3d)	0.000261448	1.812249343 Hartree
74	C5 Ryd(3d)	0.000916339	2.354652854 Hartree
75	C5 Ryd(3d)	0.000421981	2.241459122 Hartree
76	C6 Cor(1S)	1.999402892	-10.050034929 Hartree
77	C6 Val(2S)	1.117260594	-0.269157473 Hartree
78	C6 Ryd(3S)	0.000843176	1.411153963 Hartree
79	C6 Ryd(4S)	0.000018209	4.217707289 Hartree
80	C6 Val(2p)	1.158993773	-0.088584452 Hartree
81	C6 Ryd(3p)	0.003264016	0.749201128 Hartree
82	C6 Val(2p)	1.218485339	-0.100124788 Hartree
83	C6 Ryd(3p)	0.004499016	0.963643851 Hartree
84	C6 Val(2p)	1.227417557	-0.089794561 Hartree
85	C6 Ryd(3p)	0.000651472	0.633740366 Hartree
86	C6 Ryd(3d)	0.000898127	2.217294281 Hartree
87	C6 Ryd(3d)	0.000251390	1.745786075 Hartree
88	C6 Ryd(3d)	0.001302426	2.181198371 Hartree
89	C6 Ryd(3d)	0.000653901	1.999042901 Hartree
90	C6 Ryd(3d)	0.000821895	2.162931833 Hartree
91	H7 Val(1S)	0.758855083	0.104543736 Hartree
92	H7 Ryd(2S)	0.001151352	0.618891597 Hartree
93	H8 Val(1S)	0.742672194	0.080033289 Hartree
94	H8 Ryd(2S)	0.002271260	0.721302719 Hartree
95	H9 Val(1S)	0.742672194	0.080033289 Hartree
96	H9 Ryd(2S)	0.002271260	0.721302719 Hartree
97	H10 Val(1S)	0.769415404	0.098850805 Hartree
98	H10 Ryd(2S)	0.000965621	0.584459315 Hartree
99	H11 Val(1S)	0.768542118	0.099275106 Hartree
100	H11 Ryd(2S)	0.001020228	0.580254408 Hartree
101	H12 Val(1S)	0.776006200	0.098210872 Hartree
102	H12 Ryd(2S)	0.001355823	0.594937426 Hartree
103	H13 Val(1S)	0.762603631	0.135218844 Hartree
104	H13 Ryd(2S)	0.001223238	0.800488049 Hartree
105	H14 Val(1S)	0.769392035	0.096351624 Hartree
106	H14 Ryd(2S)	0.000779511	0.647149948 Hartree
107	H15 Val(1S)	0.762441835	0.096287505 Hartree
108	H15 Ryd(2S)	0.001031948	0.653350629 Hartree
109	H16 Val(1S)	0.762441835	0.096287505 Hartree
110	H16 Ryd(2S)	0.001031948	0.653350629 Hartree

Display Range		- / 110
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(26.60%)p2.76(73.36%)d0.00(0.04%)	1.010094312	-0.083952556 Hartree
2	BD(1)C2(C1) 2s(29.73%)p2.36(70.23%)d0.00(0.03%)	0.987501327	-0.073270561 Hartree
3	BD(1)C1(H14) 1s(24.35%)p3.10(75.59%)d0.00(0.06%)	1.227561846	-0.115969972 Hartree
4	BD(1)H14(C1) 14s(100.00%)	0.769392035	0.096356922 Hartree
5	BD(1)C1(H15) 1s(24.51%)p3.08(75.42%)d0.00(0.06%)	1.229473945	-0.118320564 Hartree
6	BD(1)H15(C1) 15s(100.00%)	0.762441229	0.096811107 Hartree
7	BD(1)C1(H16) 1s(24.51%)p3.08(75.42%)d0.00(0.06%)	1.229473945	-0.118320564 Hartree
8	BD(1)H16(C1) 16s(100.00%)	0.762441229	0.096811107 Hartree
9	BD(1)C2(C3) 2s(37.27%)p1.68(62.68%)d0.00(0.04%)	0.996678101	-0.000485824 Hartree
10	BD(1)C3(C2) 3s(39.59%)p1.53(60.37%)d0.00(0.04%)	1.002129958	-0.002273319 Hartree
11	BD(2)C2(C3) 2s(0.00%)p1.00(99.92%)d0.00(0.08%)	0.971882220	-0.083410179 Hartree
12	BD(2)C3(C2) 3s(0.00%)p1.00(99.93%)d0.00(0.07%)	1.028725429	-0.088313118 Hartree
13	BD(1)C2(H13) 2s(33.00%)p2.03(66.95%)d0.00(0.04%)	1.258008671	-0.100266245 Hartree
14	BD(1)H13(C2) 13s(100.00%)	0.762601549	0.134394768 Hartree
15	BD(1)C3(C4) 3s(30.61%)p2.27(69.36%)d0.00(0.04%)	0.998086760	-0.076744781 Hartree
16	BD(1)C4(C3) 4s(30.85%)p2.24(69.11%)d0.00(0.04%)	1.000954292	-0.077694449 Hartree
17	BD(1)C3(H12) 3s(29.79%)p2.35(70.15%)d0.00(0.06%)	1.225149949	-0.121175188 Hartree
18	BD(1)H12(C3) 12s(100.00%)	0.775999850	0.099747271 Hartree
19	BD(1)C4(C5) 4s(39.42%)p1.54(60.53%)d0.00(0.04%)	1.002869658	-0.008388607 Hartree
20	BD(1)C5(C4) 5s(39.09%)p1.56(60.86%)d0.00(0.04%)	0.994913479	-0.002812536 Hartree
21	BD(2)C4(C5) 4s(0.00%)p1.00(99.93%)d0.00(0.07%)	1.000539524	-0.088692598 Hartree
22	BD(2)C5(C4) 5s(0.00%)p1.00(99.93%)d0.00(0.07%)	1.016008464	-0.092715134 Hartree
23	BD(1)C4(H11) 4s(29.70%)p2.37(70.24%)d0.00(0.06%)	1.225952145	-0.123424368 Hartree
24	BD(1)H11(C4) 11s(100.00%)	0.768540233	0.100117771 Hartree
25	BD(1)C5(C6) 5s(30.56%)p2.27(69.40%)d0.00(0.04%)	0.969201556	-0.084329936 Hartree
26	BD(1)C6(C5) 6s(26.10%)p2.83(73.86%)d0.00(0.04%)	1.031110738	-0.111183030 Hartree
27	BD(1)C5(H10) 5s(30.33%)p2.30(69.62%)d0.00(0.05%)	1.226090704	-0.124837047 Hartree
28	BD(1)H10(C5) 10s(100.00%)	0.769412695	0.099871620 Hartree
29	BD(1)C6(H7) 6s(23.10%)p3.33(76.85%)d0.00(0.06%)	1.247165849	-0.125133164 Hartree
30	BD(1)H7(C6) 7s(100.00%)	0.758850250	0.105988594 Hartree
31	BD(1)C6(H8) 6s(25.34%)p2.94(74.59%)d0.00(0.07%)	1.226162053	-0.148170358 Hartree
32	BD(1)H8(C6) 8s(100.00%)	0.742662031	0.082205133 Hartree
33	BD(1)C6(H9) 6s(25.34%)p2.94(74.59%)d0.00(0.07%)	1.226162053	-0.148170358 Hartree
34	BD(1)H9(C6) 9s(100.00%)	0.742662031	0.082205133 Hartree
35	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999445576	-10.042696027 Hartree
36	CR(1)C2 s(100.00%)p0.00(0.00%)	1.998963752	-10.004235336 Hartree
37	CR(1)C3 s(100.00%)p0.00(0.00%)	1.998850307	-10.026735316 Hartree
38	CR(1)C4 s(100.00%)p0.00(0.00%)	1.998890988	-10.033072621 Hartree
39	CR(1)C5 s(100.00%)p0.00(0.00%)	1.998931165	-10.033862955 Hartree
40	CR(1)C6 s(100.00%)p0.00(0.00%)	1.999402809	-10.049788933 Hartree
41	RY*(1)C1 s(2.49%)p35.50(88.53%)d3.60(8.98%)	0.002965810	0.842404913 Hartree
42	RY*(2)C1 s(0.00%)p1.00(42.57%)d1.35(57.43%)	0.000640892	1.411085406 Hartree
43	RY*(3)C1 s(22.71%)p3.38(76.72%)d0.03(0.57%)	0.000430050	0.744385456 Hartree
44	RY*(4)C1 s(35.77%)p0.48(17.00%)d1.32(47.23%)	0.000033868	1.702490316 Hartree
45	RY*(5)C1 s(0.00%)p1.00(56.47%)d0.77(43.53%)	0.000015540	1.206716705 Hartree
46	RY*(6)C1 s(2.36%)p3.28(7.74%)d38.13(89.90%)	0.000004421	1.893543296 Hartree
47	RY*(7)C1 s(0.00%)p1.00(1.04%)d94.70(98.96%)	0.000000822	1.987552093 Hartree
48	RY*(8)C1 s(98.97%)p0.00(0.26%)d0.01(0.76%)	0.000004935	4.142742271 Hartree
49	RY*(9)C1 s(37.07%)p0.24(8.93%)d1.46(53.99%)	0.000006019	1.710480103 Hartree
50	RY*(10)C1 s(0.65%)p1.44(0.93%)d99.99(98.42%)	0.000004938	2.102478903 Hartree
51	RY*(1)C2 s(11.44%)p6.95(79.50%)d0.79(9.06%)	0.003474661	1.205676015 Hartree
52	RY*(2)C2 s(6.68%)p13.72(91.61%)d0.26(1.71%)	0.002263830	0.805147493 Hartree
53	RY*(3)C2 s(0.00%)p1.00(88.20%)d0.13(11.80%)	0.001927755	0.822316550 Hartree
54	RY*(4)C2 s(81.78%)p0.20(16.52%)d0.02(1.70%)	0.000605095	1.061697332 Hartree
55	RY*(5)C2 s(7.57%)p0.32(2.40%)d11.89(90.02%)	0.000201047	2.426307461 Hartree
56	RY*(6)C2 s(0.00%)p1.00(6.73%)d13.87(93.27%)	0.000125954	1.889855933 Hartree
57	RY*(7)C2 s(0.00%)p1.00(5.15%)d18.42(94.85%)	0.000065151	1.773007583 Hartree
58	RY*(8)C2 s(8.05%)p0.92(7.42%)d10.51(84.53%)	0.000057798	2.437283546 Hartree
59	RY*(9)C2 s(84.18%)p0.03(2.30%)d0.16(13.52%)	0.000013406	3.924755475 Hartree
60	RY*(10)C2 s(0.30%)p1.20(0.37%)d99.99(99.33%)	0.000011955	2.229782168 Hartree
61	RY*(1)C3 s(0.10%)p99.99(92.66%)d73.00(7.24%)	0.005581952	1.242374709 Hartree
62	RY*(2)C3 s(7.35%)p12.30(90.41%)d0.30(2.24%)	0.003239774	0.796886728 Hartree
63	RY*(3)C3 s(0.00%)p1.00(28.51%)d2.51(71.49%)	0.000518132	1.549425606 Hartree
64	RY*(4)C3 s(88.93%)p0.09(8.43%)d0.03(2.63%)	0.000297208	0.991936409 Hartree
65	RY*(5)C3 s(12.84%)p0.11(1.38%)d6.68(85.78%)	0.000096106	2.514149208 Hartree
66	RY*(6)C3 s(0.00%)p1.00(71.10%)d0.41(28.90%)	0.000058559	1.018367860 Hartree
67	RY*(7)C3 s(53.47%)p0.03(1.66%)d0.84(44.86%)	0.000029720	3.351427134 Hartree
68	RY*(8)C3 s(3.07%)p1.61(4.95%)d29.94(91.97%)	0.000028485	2.332001539 Hartree
69	RY*(9)C3 s(0.00%)p1.00(0.46%)d99.99(99.54%)	0.000003533	1.845832606 Hartree
70	RY*(10)C3 s(34.25%)p0.02(0.62%)d1.90(65.14%)	0.000007553	2.858487549 Hartree
71	RY*(1)C4 s(0.81%)p99.99(92.47%)d8.31(6.72%)	0.004932753	1.219102163 Hartree
72	RY*(2)C4 s(2.75%)p34.31(94.32%)d1.06(2.93%)	0.002885473	0.771587817 Hartree
73	RY*(3)C4 s(0.00%)p1.00(13.25%)d6.54(86.75%)	0.000554414	1.745880063 Hartree
74	RY*(4)C4 s(88.49%)p0.03(2.39%)d0.10(9.13%)	0.000201560	1.194964188 Hartree
75	RY*(5)C4 s(12.94%)p0.23(2.92%)d6.50(84.14%)	0.000110270	2.264426348 Hartree
76	RY*(6)C4 s(0.00%)p1.00(58.82%)d0.70(41.18%)	0.000031531	1.132333347 Hartree
77	RY*(7)C4 s(40.88%)p0.01(0.43%)d1.44(58.69%)	0.000029401	3.225689485 Hartree
78	RY*(8)C4 s(51.61%)p0.00(0.03%)d0.94(48.36%)	0.000005177	3.186902583 Hartree
79	RY*(9)C4 s(2.55%)p2.97(7.56%)d35.30(89.90%)	0.000013338	2.140664958 Hartree
80	RY*(10)C4 s(0.00%)p1.00(28.00%)d2.57(72.00%)	0.000001189	1.517432895 Hartree
81	RY*(1)C5 s(0.46%)p99.99(91.40%)d17.55(8.13%)	0.004110035	1.184785600 Hartree
82	RY*(2)C5 s(9.57%)p9.20(88.04%)d0.25(2.40%)	0.002687892	0.755873920 Hartree
83	RY*(3)C5 s(0.00%)p1.00(85.81%)d0.17(14.19%)	0.001731828	0.790166748 Hartree
84	RY*(4)C5 s(76.96%)p0.11(8.72%)d0.19(14.32%)	0.000461974	1.199546684 Hartree
85	RY*(5)C5 s(13.89%)p0.16(2.24%)d6.04(83.87%)	0.000128135	2.440070023 Hartree
86	RY*(6)C5 s(0.00%)p1.00(5.19%)d18.26(94.81%)	0.000082349	1.889058998 Hartree
87	RY*(7)C5 s(72.19%)p0.03(2.52%)d0.35(25.29%)	0.000019581	3.644508581 Hartree
88	RY*(8)C5 s(0.00%)p1.00(9.07%)d10.02(90.93%)	0.000000296	1.721743444 Hartree
89	RY*(9)C5 s(22.61%)p0.31(7.05%)d3.11(70.35%)	0.000004161	2.364697981 Hartree
90	RY*(10)C5 s(4.34%)p0.03(0.15%)d22.02(95.51%)	0.000007096	2.310484716 Hartree
91	RY*(1)C6 s(3.06%)p29.58(90.40%)d2.14(6.54%)	0.003025578	1.364465421 Hartree
92	RY*(2)C6 s(2.60%)p18.87(48.99%)d18.64(48.41%)	0.000737771	1.324618719 Hartree
93	RY*(3)C6 s(0.00%)p1.00(15.55%)d5.43(84.45%)	0.000489195	1.775367083 Hartree
94	RY*(4)C6 s(25.51%)p1.69(43.15%)d1.23(31.34%)	0.000390551	1.264327329 Hartree
95	RY*(5)C6 s(32.49%)p0.07(2.18%)d2.01(65.33%)	0.000056428	2.149065576 Hartree
96	RY*(6)C6 s(0.00%)p1.00(47.26%)d1.12(52.74%)	0.000036898	1.317228466 Hartree
97	RY*(7)C6 s(4.56%)p0.29(1.34%)d20.66(94.10%)	0.000017531	2.302979048 Hartree
98	RY*(8)C6 s(0.00%)p1.00(37.29%)d1.68(62.71%)	0.000000000	1.460953005 Hartree
99	RY*(9)C6 s(43.43%)p0.30(12.85%)d1.01(43.72%)	0.000004924	1.475230977 Hartree
100	RY*(10)C6 s(88.50%)p0.01(1.09%)d0.12(10.41%)	0.000001405	3.832214075 Hartree
101	RY*(1)H7 s(100.00%)	0.001156185	0.617446738 Hartree
102	RY*(1)H8 s(100.00%)	0.002281423	0.719130875 Hartree
103	RY*(1)H9 s(100.00%)	0.002281423	0.719130875 Hartree
104	RY*(1)H10 s(100.00%)	0.000968330	0.583438500 Hartree
105	RY*(1)H11 s(100.00%)	0.001022112	0.579411742 Hartree
106	RY*(1)H12 s(100.00%)	0.001362173	0.593401027 Hartree
107	RY*(1)H13 s(100.00%)	0.001225320	0.801312125 Hartree
108	RY*(1)H14 s(100.00%)	0.000779512	0.647144650 Hartree
109	RY*(1)H15 s(100.00%)	0.001032554	0.652827027 Hartree
110	RY*(1)H16 s(100.00%)	0.001032554	0.652827027 Hartree

Display Range		- / 110
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	9205, 9206	1.982613159	-0.570188842 Hartree
2	BD(1)C1-H14	9207, 9208	1.993565674	-0.489317704 Hartree
3	BD(1)C1-H15	9209, 9210	1.984995011	-0.489752625 Hartree
4	BD(1)C1-H16	9211, 9212	1.984995011	-0.489752625 Hartree
5	BD(1)C2-C3	9213, 9214	1.984401729	-0.733398785 Hartree
6	BD(2)C2-C3	9215, 9216	1.920351628	-0.252943059 Hartree
7	BD(1)C2-H13	9217, 9218	1.962106078	-0.507962748 Hartree
8	BD(1)C3-C4	9219, 9220	1.975888830	-0.580954520 Hartree
9	BD(1)C3-H12	9221, 9222	1.984270318	-0.503247787 Hartree
10	BD(1)C4-C5	9223, 9224	1.985863018	-0.741154491 Hartree
11	BD(2)C4-C5	9225, 9226	1.931728022	-0.258304815 Hartree
12	BD(1)C4-H11	9227, 9228	1.981315854	-0.505223388 Hartree
13	BD(1)C5-C6	9229, 9230	1.986081977	-0.586223880 Hartree
14	BD(1)C5-H10	9231, 9232	1.981016808	-0.507495253 Hartree
15	BD(1)C6-H7	9233, 9234	1.990108208	-0.494320810 Hartree
16	BD(1)C6-H8	9235, 9236	1.954817376	-0.503222984 Hartree
17	BD(1)C6-H9	9237, 9238	1.954817376	-0.503222984 Hartree
18	CR(1)C1	9239	1.999445576	-10.042696027 Hartree
19	CR(1)C2	9240	1.998963752	-10.004235336 Hartree
20	CR(1)C3	9241	1.998850307	-10.026735316 Hartree
21	CR(1)C4	9242	1.998890988	-10.033072621 Hartree
22	CR(1)C5	9243	1.998931165	-10.033862955 Hartree
23	CR(1)C6	9244	1.999402809	-10.049788933 Hartree
24	RY*(1)C1	9245	0.002965810	0.842404913 Hartree
25	RY*(2)C1	9246	0.000640892	1.411085406 Hartree
26	RY*(3)C1	9247	0.000430050	0.744385456 Hartree
27	RY*(4)C1	9248	0.000033868	1.702490316 Hartree
28	RY*(5)C1	9249	0.000015540	1.206716705 Hartree
29	RY*(6)C1	9250	0.000004421	1.893543296 Hartree
30	RY*(7)C1	9251	0.000000822	1.987552093 Hartree
31	RY*(8)C1	9252	0.000004935	4.142742271 Hartree
32	RY*(9)C1	9253	0.000006019	1.710480103 Hartree
33	RY*(10)C1	9254	0.000004938	2.102478903 Hartree
34	RY*(1)C2	9255	0.003474661	1.205676015 Hartree
35	RY*(2)C2	9256	0.002263830	0.805147493 Hartree
36	RY*(3)C2	9257	0.001927755	0.822316550 Hartree
37	RY*(4)C2	9258	0.000605095	1.061697332 Hartree
38	RY*(5)C2	9259	0.000201047	2.426307461 Hartree
39	RY*(6)C2	9260	0.000125954	1.889855933 Hartree
40	RY*(7)C2	9261	0.000065151	1.773007583 Hartree
41	RY*(8)C2	9262	0.000057798	2.437283546 Hartree
42	RY*(9)C2	9263	0.000013406	3.924755475 Hartree
43	RY*(10)C2	9264	0.000011955	2.229782168 Hartree
44	RY*(1)C3	9265	0.005581952	1.242374709 Hartree
45	RY*(2)C3	9266	0.003239774	0.796886728 Hartree
46	RY*(3)C3	9267	0.000518132	1.549425606 Hartree
47	RY*(4)C3	9268	0.000297208	0.991936409 Hartree
48	RY*(5)C3	9269	0.000096106	2.514149208 Hartree
49	RY*(6)C3	9270	0.000058559	1.018367860 Hartree
50	RY*(7)C3	9271	0.000029720	3.351427134 Hartree
51	RY*(8)C3	9272	0.000028485	2.332001539 Hartree
52	RY*(9)C3	9273	0.000003533	1.845832606 Hartree
53	RY*(10)C3	9274	0.000007553	2.858487549 Hartree
54	RY*(1)C4	9275	0.004932753	1.219102163 Hartree
55	RY*(2)C4	9276	0.002885473	0.771587817 Hartree
56	RY*(3)C4	9277	0.000554414	1.745880063 Hartree
57	RY*(4)C4	9278	0.000201560	1.194964188 Hartree
58	RY*(5)C4	9279	0.000110270	2.264426348 Hartree
59	RY*(6)C4	9280	0.000031531	1.132333347 Hartree
60	RY*(7)C4	9281	0.000029401	3.225689485 Hartree
61	RY*(8)C4	9282	0.000005177	3.186902583 Hartree
62	RY*(9)C4	9283	0.000013338	2.140664958 Hartree
63	RY*(10)C4	9284	0.000001189	1.517432895 Hartree
64	RY*(1)C5	9285	0.004110035	1.184785600 Hartree
65	RY*(2)C5	9286	0.002687892	0.755873920 Hartree
66	RY*(3)C5	9287	0.001731828	0.790166748 Hartree
67	RY*(4)C5	9288	0.000461974	1.199546684 Hartree
68	RY*(5)C5	9289	0.000128135	2.440070023 Hartree
69	RY*(6)C5	9290	0.000082349	1.889058998 Hartree
70	RY*(7)C5	9291	0.000019581	3.644508581 Hartree
71	RY*(8)C5	9292	0.000000296	1.721743444 Hartree
72	RY*(9)C5	9293	0.000004161	2.364697981 Hartree
73	RY*(10)C5	9294	0.000007096	2.310484716 Hartree
74	RY*(1)C6	9295	0.003025578	1.364465421 Hartree
75	RY*(2)C6	9296	0.000737771	1.324618719 Hartree
76	RY*(3)C6	9297	0.000489195	1.775367083 Hartree
77	RY*(4)C6	9298	0.000390551	1.264327329 Hartree
78	RY*(5)C6	9299	0.000056428	2.149065576 Hartree
79	RY*(6)C6	9300	0.000036898	1.317228466 Hartree
80	RY*(7)C6	9301	0.000017531	2.302979048 Hartree
81	RY*(8)C6	9302	0.000000000	1.460953005 Hartree
82	RY*(9)C6	9303	0.000004924	1.475230977 Hartree
83	RY*(10)C6	9304	0.000001405	3.832214075 Hartree
84	RY*(1)H7	9305	0.001156185	0.617446738 Hartree
85	RY*(1)H8	9306	0.002281423	0.719130875 Hartree
86	RY*(1)H9	9307	0.002281423	0.719130875 Hartree
87	RY*(1)H10	9308	0.000968330	0.583438500 Hartree
88	RY*(1)H11	9309	0.001022112	0.579411742 Hartree
89	RY*(1)H12	9310	0.001362173	0.593401027 Hartree
90	RY*(1)H13	9311	0.001225320	0.801312125 Hartree
91	RY*(1)H14	9312	0.000779512	0.647144650 Hartree
92	RY*(1)H15	9313	0.001032554	0.652827027 Hartree
93	RY*(1)H16	9314	0.001032554	0.652827027 Hartree
94	BD*(1)C1-C2		0.014982480	0.412965725 Hartree
95	BD*(1)C1-H14		0.003388206	0.469704654 Hartree
96	BD*(1)C1-H15		0.006920163	0.468243168 Hartree
97	BD*(1)C1-H16		0.006920163	0.468243168 Hartree
98	BD*(1)C2-C3		0.014406329	0.730639642 Hartree
99	BD*(2)C2-C3		0.080256020	0.081219762 Hartree
100	BD*(1)C2-H13		0.058504141	0.542091271 Hartree
101	BD*(1)C3-C4		0.023152220	0.426515290 Hartree
102	BD*(1)C3-H12		0.016879482	0.481819870 Hartree
103	BD*(1)C4-C5		0.011920118	0.729953348 Hartree
104	BD*(2)C4-C5		0.084819967	0.076897083 Hartree
105	BD*(1)C4-H11		0.013176524	0.481916792 Hartree
106	BD*(1)C5-C6		0.014230315	0.390710914 Hartree
107	BD*(1)C5-H10		0.014486591	0.482529826 Hartree
108	BD*(1)C6-H7		0.015907891	0.475176240 Hartree
109	BD*(1)C6-H8		0.014006707	0.437257759 Hartree
110	BD*(1)C6-H9		0.014006707	0.437257759 Hartree

"IF I COULD JUST GET IT ON PAPER" LIFE AND INK, THEY RUN OUT AT THE SAME TIME, OR SO SAID MY OLD FRIEND THE SQUID. -- JIMMY BUFFETT, 1981