WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C6H8
Symmetry	C2
Basis	6-31G(d)
RB3LYP Energy	-233.404566092 Hartree
Dipole Moment	0.3971 Debye
Server	default (2770046)
CPU time	25.7 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	5.3586435	0.17874510706
b	4.9951393	0.16661991210
c	2.7158644	0.09059148513

Display Range		- / 106
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-10.18867 Hartree
2	-	2	-10.18846 Hartree
3	-	2	-10.17991 Hartree
4	-	2	-10.17991 Hartree
5	-	2	-10.16950 Hartree
6	-	2	-10.16871 Hartree
7	-	2	-0.84267 Hartree
8	-	2	-0.74749 Hartree
9	-	2	-0.73098 Hartree
10	-	2	-0.60935 Hartree
11	-	2	-0.59106 Hartree
12	-	2	-0.50457 Hartree
13	-	2	-0.47198 Hartree
14	-	2	-0.43838 Hartree
15	-	2	-0.42345 Hartree
16	-	2	-0.39786 Hartree
17	-	2	-0.39317 Hartree
18	-	2	-0.36593 Hartree
19	-	2	-0.32263 Hartree
20	-	2	-0.31519 Hartree
21	-	2	-0.31456 Hartree
22	-	2	-0.19649 Hartree
23	-	0	-0.02442 Hartree
24	-	0	0.08697 Hartree
25	-	0	0.10402 Hartree
26	-	0	0.13489 Hartree
27	-	0	0.13533 Hartree
28	-	0	0.14783 Hartree
29	-	0	0.17068 Hartree
30	-	0	0.17083 Hartree
31	-	0	0.20073 Hartree
32	-	0	0.21312 Hartree
33	-	0	0.23830 Hartree
34	-	0	0.26334 Hartree
35	-	0	0.28377 Hartree
36	-	0	0.34425 Hartree
37	-	0	0.43676 Hartree
38	-	0	0.48346 Hartree
39	-	0	0.50876 Hartree
40	-	0	0.53125 Hartree
41	-	0	0.54717 Hartree
42	-	0	0.58716 Hartree
43	-	0	0.60082 Hartree
44	-	0	0.60832 Hartree
45	-	0	0.62040 Hartree
46	-	0	0.62386 Hartree
47	-	0	0.65501 Hartree
48	-	0	0.65810 Hartree
49	-	0	0.66945 Hartree
50	-	0	0.71640 Hartree
51	-	0	0.73650 Hartree
52	-	0	0.76370 Hartree
53	-	0	0.83301 Hartree
54	-	0	0.84018 Hartree
55	-	0	0.84670 Hartree
56	-	0	0.85808 Hartree
57	-	0	0.86584 Hartree
58	-	0	0.90190 Hartree
59	-	0	0.90493 Hartree
60	-	0	0.92982 Hartree
61	-	0	0.93469 Hartree
62	-	0	1.00492 Hartree
63	-	0	1.05602 Hartree
64	-	0	1.07778 Hartree
65	-	0	1.12717 Hartree
66	-	0	1.20385 Hartree
67	-	0	1.23386 Hartree
68	-	0	1.35090 Hartree
69	-	0	1.36658 Hartree
70	-	0	1.39234 Hartree
71	-	0	1.53101 Hartree
72	-	0	1.53227 Hartree
73	-	0	1.55367 Hartree
74	-	0	1.63532 Hartree
75	-	0	1.72798 Hartree
76	-	0	1.75044 Hartree
77	-	0	1.82340 Hartree
78	-	0	1.86897 Hartree
79	-	0	1.88461 Hartree
80	-	0	1.95437 Hartree
81	-	0	1.96768 Hartree
82	-	0	2.01193 Hartree
83	-	0	2.04834 Hartree
84	-	0	2.10889 Hartree
85	-	0	2.17953 Hartree
86	-	0	2.20175 Hartree
87	-	0	2.23847 Hartree
88	-	0	2.29526 Hartree
89	-	0	2.33375 Hartree
90	-	0	2.37953 Hartree
91	-	0	2.39362 Hartree
92	-	0	2.50002 Hartree
93	-	0	2.56171 Hartree
94	-	0	2.63418 Hartree
95	-	0	2.64895 Hartree
96	-	0	2.69053 Hartree
97	-	0	2.70314 Hartree
98	-	0	2.75369 Hartree
99	-	0	3.00012 Hartree
100	-	0	3.28057 Hartree
101	-	0	4.12761 Hartree
102	-	0	4.15207 Hartree
103	-	0	4.17953 Hartree
104	-	0	4.37078 Hartree
105	-	0	4.39732 Hartree
106	-	0	4.62815 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.49367
2	C	-0.17680
3	C	-0.27640
4	C	-0.27640
5	C	-0.17680
6	C	-0.49367
7	H	0.24195
8	H	0.24725
9	H	0.22486
10	H	0.23281
11	H	0.23281
12	H	0.22486
13	H	0.24725
14	H	0.24195

Display Range		- / 106
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999291555	-10.052837555 Hartree
2	C1 Val(2S)	1.041466702	-0.236847466 Hartree
3	C1 Ryd(3S)	0.000595762	1.384009012 Hartree
4	C1 Ryd(4S)	0.000019106	4.290550862 Hartree
5	C1 Val(2p)	1.224063720	-0.083590951 Hartree
6	C1 Ryd(3p)	0.001969429	0.790619187 Hartree
7	C1 Val(2p)	1.077647252	-0.070599305 Hartree
8	C1 Ryd(3p)	0.002966251	0.676278544 Hartree
9	C1 Val(2p)	1.139755572	-0.075253789 Hartree
10	C1 Ryd(3p)	0.002261038	0.636241441 Hartree
11	C1 Ryd(3d)	0.000486082	2.007384202 Hartree
12	C1 Ryd(3d)	0.000608829	2.008734023 Hartree
13	C1 Ryd(3d)	0.000837137	2.139724121 Hartree
14	C1 Ryd(3d)	0.000981168	2.196726863 Hartree
15	C1 Ryd(3d)	0.000722024	2.190604471 Hartree
16	C2 Cor(1S)	1.999075417	-10.036159352 Hartree
17	C2 Val(2S)	0.966660941	-0.167064437 Hartree
18	C2 Ryd(3S)	0.000826387	1.067839237 Hartree
19	C2 Ryd(4S)	0.000048410	4.150556998 Hartree
20	C2 Val(2p)	0.986695385	-0.089945563 Hartree
21	C2 Ryd(3p)	0.002454254	0.632600635 Hartree
22	C2 Val(2p)	1.176787880	-0.039140483 Hartree
23	C2 Ryd(3p)	0.004253862	1.034989777 Hartree
24	C2 Val(2p)	1.032900011	-0.014479469 Hartree
25	C2 Ryd(3p)	0.004161762	0.702667408 Hartree
26	C2 Ryd(3d)	0.000244355	1.850294198 Hartree
27	C2 Ryd(3d)	0.000659882	2.007153096 Hartree
28	C2 Ryd(3d)	0.000623796	2.365384054 Hartree
29	C2 Ryd(3d)	0.000744089	2.160272054 Hartree
30	C2 Ryd(3d)	0.000665556	2.406156742 Hartree
31	C3 Cor(1S)	1.998881922	-10.005927493 Hartree
32	C3 Val(2S)	0.934780329	-0.124591956 Hartree
33	C3 Ryd(3S)	0.000921873	1.258888579 Hartree
34	C3 Ryd(4S)	0.000044150	3.925875424 Hartree
35	C3 Val(2p)	1.023130001	-0.084566231 Hartree
36	C3 Ryd(3p)	0.001089085	0.632132810 Hartree
37	C3 Val(2p)	1.113486595	-0.019796072 Hartree
38	C3 Ryd(3p)	0.005177289	0.807603533 Hartree
39	C3 Val(2p)	1.190070065	-0.045521717 Hartree
40	C3 Ryd(3p)	0.005845743	1.031167184 Hartree
41	C3 Ryd(3d)	0.000591890	1.973296238 Hartree
42	C3 Ryd(3d)	0.000489570	1.879133197 Hartree
43	C3 Ryd(3d)	0.000703314	2.457089948 Hartree
44	C3 Ryd(3d)	0.000462152	2.415538643 Hartree
45	C3 Ryd(3d)	0.000722537	2.343648556 Hartree
46	C4 Cor(1S)	1.998881922	-10.005927493 Hartree
47	C4 Val(2S)	0.934780329	-0.124591956 Hartree
48	C4 Ryd(3S)	0.000921873	1.258888579 Hartree
49	C4 Ryd(4S)	0.000044150	3.925875424 Hartree
50	C4 Val(2p)	1.023130001	-0.084566231 Hartree
51	C4 Ryd(3p)	0.001089085	0.632132810 Hartree
52	C4 Val(2p)	1.113486595	-0.019796072 Hartree
53	C4 Ryd(3p)	0.005177289	0.807603533 Hartree
54	C4 Val(2p)	1.190070065	-0.045521717 Hartree
55	C4 Ryd(3p)	0.005845743	1.031167184 Hartree
56	C4 Ryd(3d)	0.000591890	1.973296238 Hartree
57	C4 Ryd(3d)	0.000489570	1.879133197 Hartree
58	C4 Ryd(3d)	0.000703314	2.457089948 Hartree
59	C4 Ryd(3d)	0.000462152	2.415538643 Hartree
60	C4 Ryd(3d)	0.000722537	2.343648556 Hartree
61	C5 Cor(1S)	1.999075417	-10.036159352 Hartree
62	C5 Val(2S)	0.966660941	-0.167064437 Hartree
63	C5 Ryd(3S)	0.000826387	1.067839237 Hartree
64	C5 Ryd(4S)	0.000048410	4.150556998 Hartree
65	C5 Val(2p)	0.986695385	-0.089945563 Hartree
66	C5 Ryd(3p)	0.002454254	0.632600635 Hartree
67	C5 Val(2p)	1.176787880	-0.039140483 Hartree
68	C5 Ryd(3p)	0.004253862	1.034989777 Hartree
69	C5 Val(2p)	1.032900011	-0.014479469 Hartree
70	C5 Ryd(3p)	0.004161762	0.702667408 Hartree
71	C5 Ryd(3d)	0.000244355	1.850294198 Hartree
72	C5 Ryd(3d)	0.000659882	2.007153096 Hartree
73	C5 Ryd(3d)	0.000623796	2.365384054 Hartree
74	C5 Ryd(3d)	0.000744089	2.160272054 Hartree
75	C5 Ryd(3d)	0.000665556	2.406156742 Hartree
76	C6 Cor(1S)	1.999291555	-10.052837555 Hartree
77	C6 Val(2S)	1.041466702	-0.236847466 Hartree
78	C6 Ryd(3S)	0.000595762	1.384009012 Hartree
79	C6 Ryd(4S)	0.000019106	4.290550862 Hartree
80	C6 Val(2p)	1.224063720	-0.083590951 Hartree
81	C6 Ryd(3p)	0.001969429	0.790619187 Hartree
82	C6 Val(2p)	1.077647252	-0.070599305 Hartree
83	C6 Ryd(3p)	0.002966251	0.676278544 Hartree
84	C6 Val(2p)	1.139755572	-0.075253789 Hartree
85	C6 Ryd(3p)	0.002261038	0.636241441 Hartree
86	C6 Ryd(3d)	0.000486082	2.007384202 Hartree
87	C6 Ryd(3d)	0.000608829	2.008734023 Hartree
88	C6 Ryd(3d)	0.000837137	2.139724121 Hartree
89	C6 Ryd(3d)	0.000981168	2.196726863 Hartree
90	C6 Ryd(3d)	0.000722024	2.190604471 Hartree
91	H7 Val(1S)	0.755943413	0.077394118 Hartree
92	H7 Ryd(2S)	0.002106424	0.667373054 Hartree
93	H8 Val(1S)	0.751629406	0.080242784 Hartree
94	H8 Ryd(2S)	0.001121752	0.654362504 Hartree
95	H9 Val(1S)	0.774211622	0.088291913 Hartree
96	H9 Ryd(2S)	0.000930789	0.601986393 Hartree
97	H10 Val(1S)	0.766047481	0.088386346 Hartree
98	H10 Ryd(2S)	0.001138984	0.591893554 Hartree
99	H11 Val(1S)	0.766047481	0.088386346 Hartree
100	H11 Ryd(2S)	0.001138984	0.591893554 Hartree
101	H12 Val(1S)	0.774211622	0.088291913 Hartree
102	H12 Ryd(2S)	0.000930789	0.601986393 Hartree
103	H13 Val(1S)	0.751629406	0.080242784 Hartree
104	H13 Ryd(2S)	0.001121752	0.654362504 Hartree
105	H14 Val(1S)	0.755943413	0.077394118 Hartree
106	H14 Ryd(2S)	0.002106424	0.667373054 Hartree

Display Range		- / 106
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(26.99%)p2.70(72.97%)d0.00(0.05%)	1.019104420	-0.090422942 Hartree
2	BD(1)C2(C1) 2s(32.74%)p2.05(67.22%)d0.00(0.04%)	0.980318444	-0.074860989 Hartree
3	BD(1)C1(C6) 1s(27.40%)p2.65(72.55%)d0.00(0.04%)	0.998214261	-0.095958447 Hartree
4	BD(1)C6(C1) 6s(27.40%)p2.65(72.55%)d0.00(0.04%)	0.998214261	-0.095958447 Hartree
5	BD(1)C1(H13) 1s(23.14%)p3.32(76.80%)d0.00(0.06%)	1.237784185	-0.131856067 Hartree
6	BD(1)H13(C1) 13s(100.00%)	0.751627758	0.081082543 Hartree
7	BD(1)C1(H14) 1s(22.47%)p3.45(77.46%)d0.00(0.07%)	1.232094397	-0.130884677 Hartree
8	BD(1)H14(C1) 14s(100.00%)	0.755927726	0.079976368 Hartree
9	BD(1)C2(C3) 2s(38.37%)p1.61(61.59%)d0.00(0.04%)	0.980346742	-0.003409096 Hartree
10	BD(1)C3(C2) 3s(36.46%)p1.74(63.51%)d0.00(0.03%)	1.017391246	-0.026323009 Hartree
11	BD(2)C2(C3) 2s(0.01%)p99.99(99.92%)d6.07(0.07%)	0.986368816	-0.091241182 Hartree
12	BD(2)C3(C2) 3s(0.06%)p99.99(99.89%)d0.84(0.05%)	1.023279782	-0.085791326 Hartree
13	BD(1)C2(H12) 2s(28.83%)p2.47(71.11%)d0.00(0.06%)	1.221312062	-0.122810236 Hartree
14	BD(1)H12(C2) 12s(100.00%)	0.774209228	0.089245013 Hartree
15	BD(1)C3(C4) 3s(36.16%)p1.76(63.79%)d0.00(0.05%)	0.998645753	-0.016400161 Hartree
16	BD(1)C4(C3) 4s(36.16%)p1.76(63.79%)d0.00(0.05%)	0.998645753	-0.016400161 Hartree
17	BD(1)C3(H11) 3s(27.32%)p2.66(72.63%)d0.00(0.05%)	1.227667440	-0.125296045 Hartree
18	BD(1)H11(C3) 11s(100.00%)	0.766044600	0.089405175 Hartree
19	BD(1)C4(C5) 4s(36.46%)p1.74(63.51%)d0.00(0.03%)	1.017391246	-0.026323009 Hartree
20	BD(1)C5(C4) 5s(38.37%)p1.61(61.59%)d0.00(0.04%)	0.980346742	-0.003409096 Hartree
21	BD(2)C4(C5) 4s(0.06%)p99.99(99.89%)d0.84(0.05%)	1.023279782	-0.085791326 Hartree
22	BD(2)C5(C4) 5s(0.01%)p99.99(99.92%)d6.07(0.07%)	0.986368816	-0.091241182 Hartree
23	BD(1)C4(H10) 4s(27.32%)p2.66(72.63%)d0.00(0.05%)	1.227667440	-0.125296045 Hartree
24	BD(1)H10(C4) 10s(100.00%)	0.766044600	0.089405175 Hartree
25	BD(1)C5(C6) 5s(32.74%)p2.05(67.22%)d0.00(0.04%)	0.980318444	-0.074860989 Hartree
26	BD(1)C6(C5) 6s(26.99%)p2.70(72.97%)d0.00(0.05%)	1.019104420	-0.090422942 Hartree
27	BD(1)C5(H9) 5s(28.83%)p2.47(71.11%)d0.00(0.06%)	1.221312062	-0.122810236 Hartree
28	BD(1)H9(C5) 9s(100.00%)	0.774209228	0.089245013 Hartree
29	BD(1)C6(H7) 6s(22.47%)p3.45(77.46%)d0.00(0.07%)	1.232094397	-0.130884677 Hartree
30	BD(1)H7(C6) 7s(100.00%)	0.755927726	0.079976368 Hartree
31	BD(1)C6(H8) 6s(23.14%)p3.32(76.80%)d0.00(0.06%)	1.237784185	-0.131856067 Hartree
32	BD(1)H8(C6) 8s(100.00%)	0.751627758	0.081082543 Hartree
33	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999292317	-10.052749594 Hartree
34	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999080377	-10.036436716 Hartree
35	CR(1)C3 s(100.00%)p0.00(0.00%)	1.998888038	-10.006471880 Hartree
36	CR(1)C4 s(100.00%)p0.00(0.00%)	1.998888038	-10.006471880 Hartree
37	CR(1)C5 s(100.00%)p0.00(0.00%)	1.999080377	-10.036436716 Hartree
38	CR(1)C6 s(100.00%)p0.00(0.00%)	1.999292317	-10.052749594 Hartree
39	RY*(1)C1 s(0.78%)p99.99(91.32%)d10.20(7.90%)	0.003548475	0.967376335 Hartree
40	RY*(2)C1 s(4.72%)p15.94(75.21%)d4.25(20.07%)	0.001411164	1.028513529 Hartree
41	RY*(3)C1 s(1.25%)p71.38(89.02%)d7.80(9.73%)	0.001410337	0.767323321 Hartree
42	RY*(4)C1 s(2.64%)p1.45(3.82%)d35.43(93.54%)	0.000410750	1.840773924 Hartree
43	RY*(5)C1 s(64.11%)p0.07(4.77%)d0.49(31.11%)	0.000241299	1.640086017 Hartree
44	RY*(6)C1 s(8.16%)p0.85(6.96%)d10.40(84.87%)	0.000089512	2.076772965 Hartree
45	RY*(7)C1 s(23.84%)p0.59(14.13%)d2.60(62.04%)	0.000043351	2.115710284 Hartree
46	RY*(8)C1 s(2.23%)p3.59(8.02%)d40.16(89.75%)	0.000009776	1.992273789 Hartree
47	RY*(9)C1 s(91.43%)p0.02(1.96%)d0.07(6.61%)	0.000010147	3.890998064 Hartree
48	RY*(10)C1 s(0.85%)p5.91(5.00%)d99.99(94.16%)	0.000007237	1.983787159 Hartree
49	RY*(1)C2 s(0.30%)p99.99(90.93%)d29.24(8.77%)	0.004180923	1.223926867 Hartree
50	RY*(2)C2 s(4.87%)p18.11(88.16%)d1.43(6.98%)	0.002355851	0.742671422 Hartree
51	RY*(3)C2 s(3.07%)p29.40(90.16%)d2.21(6.77%)	0.002118726	0.759980204 Hartree
52	RY*(4)C2 s(81.24%)p0.06(5.07%)d0.17(13.69%)	0.000367484	1.192132460 Hartree
53	RY*(5)C2 s(6.34%)p0.71(4.53%)d14.06(89.13%)	0.000168325	2.016964489 Hartree
54	RY*(6)C2 s(3.77%)p1.18(4.44%)d24.35(91.79%)	0.000134700	2.132655027 Hartree
55	RY*(7)C2 s(92.76%)p0.01(0.84%)d0.07(6.40%)	0.000016869	4.046745306 Hartree
56	RY*(8)C2 s(0.68%)p5.06(3.43%)d99.99(95.89%)	0.000018444	2.108152405 Hartree
57	RY*(9)C2 s(4.18%)p1.92(8.01%)d20.99(87.80%)	0.000013216	2.238788250 Hartree
58	RY*(10)C2 s(2.84%)p1.61(4.58%)d32.57(92.58%)	0.000001007	1.897866687 Hartree
59	RY*(1)C3 s(0.04%)p99.99(92.41%)d99.99(7.55%)	0.005278329	1.273808076 Hartree
60	RY*(2)C3 s(0.10%)p99.99(98.39%)d14.44(1.51%)	0.003231818	0.718644698 Hartree
61	RY*(3)C3 s(1.12%)p49.35(55.20%)d39.05(43.68%)	0.001415207	1.225960727 Hartree
62	RY*(4)C3 s(96.86%)p0.01(1.01%)d0.02(2.13%)	0.000314609	1.161699615 Hartree
63	RY*(5)C3 s(0.54%)p2.65(1.43%)d99.99(98.03%)	0.000137902	2.423544709 Hartree
64	RY*(6)C3 s(15.05%)p2.13(31.99%)d3.52(52.96%)	0.000068593	1.932573044 Hartree
65	RY*(7)C3 s(50.81%)p0.11(5.38%)d0.86(43.81%)	0.000050696	3.150026314 Hartree
66	RY*(8)C3 s(25.42%)p0.10(2.58%)d2.83(72.00%)	0.000015014	2.712271569 Hartree
67	RY*(9)C3 s(9.18%)p0.59(5.44%)d9.30(85.38%)	0.000011733	2.306423433 Hartree
68	RY*(10)C3 s(0.87%)p7.34(6.36%)d99.99(92.77%)	0.000000353	1.799300877 Hartree
69	RY*(1)C4 s(0.04%)p99.99(92.41%)d99.99(7.55%)	0.005278329	1.273808076 Hartree
70	RY*(2)C4 s(0.10%)p99.99(98.39%)d14.44(1.51%)	0.003231818	0.718644698 Hartree
71	RY*(3)C4 s(1.12%)p49.35(55.20%)d39.05(43.68%)	0.001415207	1.225960727 Hartree
72	RY*(4)C4 s(96.86%)p0.01(1.01%)d0.02(2.13%)	0.000314609	1.161699615 Hartree
73	RY*(5)C4 s(0.54%)p2.65(1.43%)d99.99(98.03%)	0.000137902	2.423544709 Hartree
74	RY*(6)C4 s(15.05%)p2.13(31.99%)d3.52(52.96%)	0.000068593	1.932573045 Hartree
75	RY*(7)C4 s(50.81%)p0.11(5.38%)d0.86(43.81%)	0.000050696	3.150026314 Hartree
76	RY*(8)C4 s(25.42%)p0.10(2.58%)d2.83(72.00%)	0.000015014	2.712271568 Hartree
77	RY*(9)C4 s(9.18%)p0.59(5.44%)d9.30(85.38%)	0.000011733	2.306423434 Hartree
78	RY*(10)C4 s(0.87%)p7.34(6.36%)d99.99(92.77%)	0.000000353	1.799300877 Hartree
79	RY*(1)C5 s(0.30%)p99.99(90.93%)d29.24(8.77%)	0.004180923	1.223926867 Hartree
80	RY*(2)C5 s(4.87%)p18.11(88.16%)d1.43(6.98%)	0.002355851	0.742671422 Hartree
81	RY*(3)C5 s(3.07%)p29.40(90.16%)d2.21(6.77%)	0.002118726	0.759980204 Hartree
82	RY*(4)C5 s(81.24%)p0.06(5.07%)d0.17(13.69%)	0.000367484	1.192132460 Hartree
83	RY*(5)C5 s(6.34%)p0.71(4.53%)d14.06(89.13%)	0.000168325	2.016964489 Hartree
84	RY*(6)C5 s(3.77%)p1.18(4.44%)d24.35(91.79%)	0.000134700	2.132655027 Hartree
85	RY*(7)C5 s(92.76%)p0.01(0.84%)d0.07(6.40%)	0.000016869	4.046745306 Hartree
86	RY*(8)C5 s(0.68%)p5.06(3.43%)d99.99(95.89%)	0.000018444	2.108152405 Hartree
87	RY*(9)C5 s(4.18%)p1.92(8.01%)d20.99(87.80%)	0.000013216	2.238788250 Hartree
88	RY*(10)C5 s(2.84%)p1.61(4.58%)d32.57(92.58%)	0.000001007	1.897866687 Hartree
89	RY*(1)C6 s(0.78%)p99.99(91.32%)d10.20(7.90%)	0.003548475	0.967376335 Hartree
90	RY*(2)C6 s(4.72%)p15.94(75.21%)d4.25(20.07%)	0.001411164	1.028513529 Hartree
91	RY*(3)C6 s(1.25%)p71.38(89.02%)d7.80(9.73%)	0.001410337	0.767323321 Hartree
92	RY*(4)C6 s(2.64%)p1.45(3.82%)d35.43(93.54%)	0.000410750	1.840773924 Hartree
93	RY*(5)C6 s(64.11%)p0.07(4.77%)d0.49(31.11%)	0.000241299	1.640086018 Hartree
94	RY*(6)C6 s(8.16%)p0.85(6.96%)d10.40(84.87%)	0.000089512	2.076772965 Hartree
95	RY*(7)C6 s(23.84%)p0.59(14.13%)d2.60(62.04%)	0.000043351	2.115710285 Hartree
96	RY*(8)C6 s(2.23%)p3.59(8.02%)d40.16(89.75%)	0.000009776	1.992273789 Hartree
97	RY*(9)C6 s(91.43%)p0.02(1.96%)d0.07(6.61%)	0.000010147	3.890998062 Hartree
98	RY*(10)C6 s(0.85%)p5.91(5.00%)d99.99(94.16%)	0.000007237	1.983787159 Hartree
99	RY*(1)H7 s(100.00%)	0.002122112	0.664790803 Hartree
100	RY*(1)H8 s(100.00%)	0.001123400	0.653522744 Hartree
101	RY*(1)H9 s(100.00%)	0.000933183	0.601033293 Hartree
102	RY*(1)H10 s(100.00%)	0.001141865	0.590874726 Hartree
103	RY*(1)H11 s(100.00%)	0.001141865	0.590874726 Hartree
104	RY*(1)H12 s(100.00%)	0.000933183	0.601033293 Hartree
105	RY*(1)H13 s(100.00%)	0.001123400	0.653522744 Hartree
106	RY*(1)H14 s(100.00%)	0.002122112	0.664790803 Hartree

Display Range		- / 106
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	322, 323	1.982725197	-0.605670260 Hartree
2	BD(1)C1-C6	324, 325	1.984352135	-0.587199584 Hartree
3	BD(1)C1-H13	326, 327	1.978321981	-0.480674237 Hartree
4	BD(1)C1-H14	328, 329	1.967428040	-0.477220890 Hartree
5	BD(1)C2-C3	330, 331	1.980318207	-0.708952803 Hartree
6	BD(2)C2-C3	332, 333	1.888948169	-0.249148024 Hartree
7	BD(1)C2-H12	334, 335	1.982855596	-0.496887983 Hartree
8	BD(1)C3-C4	336, 337	1.975851452	-0.714468632 Hartree
9	BD(1)C3-H11	338, 339	1.975730285	-0.491345192 Hartree
10	BD(1)C4-C5	340, 341	1.980318206	-0.708952803 Hartree
11	BD(2)C4-C5	342, 343	1.888948169	-0.249148024 Hartree
12	BD(1)C4-H10	344, 345	1.975730286	-0.491345192 Hartree
13	BD(1)C5-C6	346, 347	1.982725197	-0.605670260 Hartree
14	BD(1)C5-H9	348, 349	1.982855596	-0.496887983 Hartree
15	BD(1)C6-H7	350, 351	1.967428040	-0.477220890 Hartree
16	BD(1)C6-H8	352, 353	1.978321981	-0.480674237 Hartree
17	CR(1)C1	354	1.999292317	-10.052749594 Hartree
18	CR(1)C2	355	1.999080377	-10.036436716 Hartree
19	CR(1)C3	356	1.998888038	-10.006471880 Hartree
20	CR(1)C4	357	1.998888038	-10.006471880 Hartree
21	CR(1)C5	358	1.999080377	-10.036436716 Hartree
22	CR(1)C6	359	1.999292317	-10.052749594 Hartree
23	RY*(1)C1	360	0.003548475	0.967376335 Hartree
24	RY*(2)C1	361	0.001411164	1.028513529 Hartree
25	RY*(3)C1	362	0.001410337	0.767323321 Hartree
26	RY*(4)C1	363	0.000410750	1.840773924 Hartree
27	RY*(5)C1	364	0.000241299	1.640086017 Hartree
28	RY*(6)C1	365	0.000089512	2.076772965 Hartree
29	RY*(7)C1	366	0.000043351	2.115710284 Hartree
30	RY*(8)C1	367	0.000009776	1.992273789 Hartree
31	RY*(9)C1	368	0.000010147	3.890998064 Hartree
32	RY*(10)C1	369	0.000007237	1.983787159 Hartree
33	RY*(1)C2	370	0.004180923	1.223926867 Hartree
34	RY*(2)C2	371	0.002355851	0.742671422 Hartree
35	RY*(3)C2	372	0.002118726	0.759980204 Hartree
36	RY*(4)C2	373	0.000367484	1.192132460 Hartree
37	RY*(5)C2	374	0.000168325	2.016964489 Hartree
38	RY*(6)C2	375	0.000134700	2.132655027 Hartree
39	RY*(7)C2	376	0.000016869	4.046745306 Hartree
40	RY*(8)C2	377	0.000018444	2.108152405 Hartree
41	RY*(9)C2	378	0.000013216	2.238788250 Hartree
42	RY*(10)C2	379	0.000001007	1.897866687 Hartree
43	RY*(1)C3	380	0.005278329	1.273808076 Hartree
44	RY*(2)C3	381	0.003231818	0.718644698 Hartree
45	RY*(3)C3	382	0.001415207	1.225960727 Hartree
46	RY*(4)C3	383	0.000314609	1.161699615 Hartree
47	RY*(5)C3	384	0.000137902	2.423544709 Hartree
48	RY*(6)C3	385	0.000068593	1.932573044 Hartree
49	RY*(7)C3	386	0.000050696	3.150026314 Hartree
50	RY*(8)C3	387	0.000015014	2.712271569 Hartree
51	RY*(9)C3	388	0.000011733	2.306423433 Hartree
52	RY*(10)C3	389	0.000000353	1.799300877 Hartree
53	RY*(1)C4	390	0.005278329	1.273808076 Hartree
54	RY*(2)C4	391	0.003231818	0.718644698 Hartree
55	RY*(3)C4	392	0.001415207	1.225960727 Hartree
56	RY*(4)C4	393	0.000314609	1.161699615 Hartree
57	RY*(5)C4	394	0.000137902	2.423544709 Hartree
58	RY*(6)C4	395	0.000068593	1.932573045 Hartree
59	RY*(7)C4	396	0.000050696	3.150026314 Hartree
60	RY*(8)C4	397	0.000015014	2.712271568 Hartree
61	RY*(9)C4	398	0.000011733	2.306423434 Hartree
62	RY*(10)C4	399	0.000000353	1.799300877 Hartree
63	RY*(1)C5	400	0.004180923	1.223926867 Hartree
64	RY*(2)C5	401	0.002355851	0.742671422 Hartree
65	RY*(3)C5	402	0.002118726	0.759980204 Hartree
66	RY*(4)C5	403	0.000367484	1.192132460 Hartree
67	RY*(5)C5	404	0.000168325	2.016964489 Hartree
68	RY*(6)C5	405	0.000134700	2.132655027 Hartree
69	RY*(7)C5	406	0.000016869	4.046745306 Hartree
70	RY*(8)C5	407	0.000018444	2.108152405 Hartree
71	RY*(9)C5	408	0.000013216	2.238788250 Hartree
72	RY*(10)C5	409	0.000001007	1.897866687 Hartree
73	RY*(1)C6	410	0.003548475	0.967376335 Hartree
74	RY*(2)C6	411	0.001411164	1.028513529 Hartree
75	RY*(3)C6	412	0.001410337	0.767323321 Hartree
76	RY*(4)C6	413	0.000410750	1.840773924 Hartree
77	RY*(5)C6	414	0.000241299	1.640086018 Hartree
78	RY*(6)C6	415	0.000089512	2.076772965 Hartree
79	RY*(7)C6	416	0.000043351	2.115710285 Hartree
80	RY*(8)C6	417	0.000009776	1.992273789 Hartree
81	RY*(9)C6	418	0.000010147	3.890998062 Hartree
82	RY*(10)C6	419	0.000007237	1.983787159 Hartree
83	RY*(1)H7	420	0.002122112	0.664790803 Hartree
84	RY*(1)H8	421	0.001123400	0.653522744 Hartree
85	RY*(1)H9	422	0.000933183	0.601033293 Hartree
86	RY*(1)H10	423	0.001141865	0.590874726 Hartree
87	RY*(1)H11	424	0.001141865	0.590874726 Hartree
88	RY*(1)H12	425	0.000933183	0.601033293 Hartree
89	RY*(1)H13	426	0.001123400	0.653522744 Hartree
90	RY*(1)H14	427	0.002122112	0.664790803 Hartree
91	BD*(1)C1-C2		0.016697666	0.440386328 Hartree
92	BD*(1)C1-C6		0.012076387	0.395282689 Hartree
93	BD*(1)C1-H13		0.011089961	0.429900714 Hartree
94	BD*(1)C1-H14		0.020594082	0.426312581 Hartree
95	BD*(1)C2-C3		0.017419781	0.679220698 Hartree
96	BD*(2)C2-C3		0.120700429	0.072115516 Hartree
97	BD*(1)C2-H12		0.012665694	0.463322760 Hartree
98	BD*(1)C3-C4		0.021440053	0.681668309 Hartree
99	BD*(1)C3-H11		0.017981754	0.455454322 Hartree
100	BD*(1)C4-C5		0.017419781	0.679220698 Hartree
101	BD*(2)C4-C5		0.120700429	0.072115516 Hartree
102	BD*(1)C4-H10		0.017981754	0.455454322 Hartree
103	BD*(1)C5-C6		0.016697666	0.440386328 Hartree
104	BD*(1)C5-H9		0.012665694	0.463322760 Hartree
105	BD*(1)C6-H7		0.020594082	0.426312581 Hartree
106	BD*(1)C6-H8		0.011089961	0.429900714 Hartree

THE VALUE OF PHILOSOPHY IS, IN FACT, TO BE SOUGHT LARGELY IN ITS VERY UNCERTAINTY. THE MAN WHO HAS NO TINCTURE OF PHILOSOPHY GOES THROUGH LIFE IMPRISONED IN THE PREJUDICES DERIVED FROM COMMON SENSE, FROM THE HABITUAL BELIEFS OF HIS AGE OR HIS NATION, AND FROM CONVICTIONS WHICH HAVE GROWN UP IN HIS MIND WITHOUT THE CO-OPERATION OR CONSENT OF HIS DELIBERATE REASON. TO SUCH A MAN THE WORLD TENDS TO BE DEFINITE, FINITE, OBVIOUS; COMMON OBJECTS ROUSE NO QUESTIONS, AND UNFAMILIAR POSSIBILITIES ARE CONTEMPTUOUSLY REJECTED. -- BERTRAND RUSSELL