WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C4H6N(1+)
Symmetry	CS
Basis	6-31G(d)
RB3LYP Energy	-210.520428556 Hartree
Dipole Moment	1.6286 Debye
Server	batch (114182)
CPU time	33.9 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	8.6424275	0.28828035094
b	8.2021523	0.27359435106
c	4.3225622	0.14418515492

Atom	Symbol	Charge
1	C	-0.196219
2	N	-0.488130
3	C	0.171305
4	C	-0.124354
5	C	-0.074960
6	H	0.248258
7	H	0.238938
8	H	0.268039
9	H	0.412550
10	H	0.272287
11	H	0.272287

Display Range		- / 87
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-14.62370 Hartree
2	-	2	-10.48429 Hartree
3	-	2	-10.44705 Hartree
4	-	2	-10.42761 Hartree
5	-	2	-10.40789 Hartree
6	-	2	-1.21581 Hartree
7	-	2	-1.01234 Hartree
8	-	2	-0.96467 Hartree
9	-	2	-0.83084 Hartree
10	-	2	-0.79307 Hartree
11	-	2	-0.78140 Hartree
12	-	2	-0.68904 Hartree
13	-	2	-0.66537 Hartree
14	-	2	-0.64708 Hartree
15	-	2	-0.61648 Hartree
16	-	2	-0.59462 Hartree
17	-	2	-0.56495 Hartree
18	-	2	-0.48413 Hartree
19	-	0	-0.27972 Hartree
20	-	0	-0.15236 Hartree
21	-	0	-0.11879 Hartree
22	-	0	-0.06488 Hartree
23	-	0	-0.05335 Hartree
24	-	0	-0.03860 Hartree
25	-	0	-0.02082 Hartree
26	-	0	-0.02067 Hartree
27	-	0	-0.01111 Hartree
28	-	0	0.01146 Hartree
29	-	0	0.08042 Hartree
30	-	0	0.13229 Hartree
31	-	0	0.22465 Hartree
32	-	0	0.31776 Hartree
33	-	0	0.31995 Hartree
34	-	0	0.34745 Hartree
35	-	0	0.35172 Hartree
36	-	0	0.36903 Hartree
37	-	0	0.37865 Hartree
38	-	0	0.38717 Hartree
39	-	0	0.44709 Hartree
40	-	0	0.45509 Hartree
41	-	0	0.48715 Hartree
42	-	0	0.50988 Hartree
43	-	0	0.56788 Hartree
44	-	0	0.58669 Hartree
45	-	0	0.63922 Hartree
46	-	0	0.64613 Hartree
47	-	0	0.65389 Hartree
48	-	0	0.68156 Hartree
49	-	0	0.71200 Hartree
50	-	0	0.72468 Hartree
51	-	0	0.74635 Hartree
52	-	0	0.85376 Hartree
53	-	0	0.94163 Hartree
54	-	0	0.98960 Hartree
55	-	0	1.10696 Hartree
56	-	0	1.12491 Hartree
57	-	0	1.14694 Hartree
58	-	0	1.20581 Hartree
59	-	0	1.25930 Hartree
60	-	0	1.29294 Hartree
61	-	0	1.29523 Hartree
62	-	0	1.53339 Hartree
63	-	0	1.63226 Hartree
64	-	0	1.66956 Hartree
65	-	0	1.69461 Hartree
66	-	0	1.75212 Hartree
67	-	0	1.78040 Hartree
68	-	0	1.86505 Hartree
69	-	0	1.87006 Hartree
70	-	0	1.94741 Hartree
71	-	0	2.02980 Hartree
72	-	0	2.03553 Hartree
73	-	0	2.07232 Hartree
74	-	0	2.15312 Hartree
75	-	0	2.26878 Hartree
76	-	0	2.28000 Hartree
77	-	0	2.36919 Hartree
78	-	0	2.39701 Hartree
79	-	0	2.46921 Hartree
80	-	0	2.59225 Hartree
81	-	0	2.70562 Hartree
82	-	0	2.77873 Hartree
83	-	0	3.67330 Hartree
84	-	0	3.85795 Hartree
85	-	0	3.92129 Hartree
86	-	0	4.15134 Hartree
87	-	0	4.23353 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.32137
2	N	-0.49095
3	C	0.18772
4	C	-0.29880
5	C	-0.08097
6	H	0.29461
7	H	0.30146
8	H	0.28904
9	H	0.48104
10	H	0.31911
11	H	0.31911

Display Range		- / 87
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999996807	-10.447025855 Hartree
2	C1 Val(2s)	1.058920261	-0.405637869 Hartree
3	C1 Ryd(3s)	0.000931157	1.082460248 Hartree
4	C1 Ryd(4s)	0.000054243	4.071029393 Hartree
5	C1 Val(2p)	1.017426530	-0.284641148 Hartree
6	C1 Ryd(3p)	0.001993767	0.352082928 Hartree
7	C1 Val(2p)	0.954917032	-0.279445279 Hartree
8	C1 Ryd(3p)	0.002720892	0.377912718 Hartree
9	C1 Val(2p)	1.277644780	-0.327614338 Hartree
10	C1 Ryd(3p)	0.001361148	0.532384734 Hartree
11	C1 Ryd(3d)	0.001323453	2.040321941 Hartree
12	C1 Ryd(3d)	0.001450451	1.920190124 Hartree
13	C1 Ryd(3d)	0.000822263	1.627540051 Hartree
14	C1 Ryd(3d)	0.000569281	1.909746028 Hartree
15	C1 Ryd(3d)	0.001234706	1.922096216 Hartree
16	N2 Cor(1s)	1.999999847	-14.623656912 Hartree
17	N2 Val(2s)	1.272007963	-0.671953974 Hartree
18	N2 Ryd(3s)	0.000565977	1.255931474 Hartree
19	N2 Ryd(4s)	0.000052978	3.572561376 Hartree
20	N2 Val(2p)	1.288197825	-0.441434943 Hartree
21	N2 Ryd(3p)	0.001931812	0.709032325 Hartree
22	N2 Val(2p)	1.428931095	-0.478918843 Hartree
23	N2 Ryd(3p)	0.003337634	1.081002817 Hartree
24	N2 Val(2p)	1.489004112	-0.483315531 Hartree
25	N2 Ryd(3p)	0.001894385	0.547372586 Hartree
26	N2 Ryd(3d)	0.001140599	2.181625706 Hartree
27	N2 Ryd(3d)	0.000757518	1.660027877 Hartree
28	N2 Ryd(3d)	0.000520446	1.550061550 Hartree
29	N2 Ryd(3d)	0.001272718	2.056467739 Hartree
30	N2 Ryd(3d)	0.001333549	1.942693271 Hartree
31	C3 Cor(1s)	1.999997340	-10.484264088 Hartree
32	C3 Val(2s)	0.982834122	-0.363132504 Hartree
33	C3 Ryd(3s)	0.001818097	0.695481341 Hartree
34	C3 Ryd(4s)	0.000101511	3.836045162 Hartree
35	C3 Val(2p)	1.057486425	-0.252421799 Hartree
36	C3 Ryd(3p)	0.005287067	0.695817661 Hartree
37	C3 Val(2p)	1.011873870	-0.247959514 Hartree
38	C3 Ryd(3p)	0.005831627	0.462865178 Hartree
39	C3 Val(2p)	0.740628317	-0.343843817 Hartree
40	C3 Ryd(3p)	0.000696375	0.363726259 Hartree
41	C3 Ryd(3d)	0.001694789	2.133977591 Hartree
42	C3 Ryd(3d)	0.001154931	1.644607902 Hartree
43	C3 Ryd(3d)	0.001048632	1.658767271 Hartree
44	C3 Ryd(3d)	0.001063748	2.107262648 Hartree
45	C3 Ryd(3d)	0.000766271	1.993268456 Hartree
46	C4 Cor(1s)	1.999997503	-10.407877169 Hartree
47	C4 Val(2s)	1.006662173	-0.331604211 Hartree
48	C4 Ryd(3s)	0.000456747	0.923784741 Hartree
49	C4 Ryd(4s)	0.000036952	3.891834286 Hartree
50	C4 Val(2p)	1.149119095	-0.244569822 Hartree
51	C4 Ryd(3p)	0.004292769	0.637246213 Hartree
52	C4 Val(2p)	1.112555114	-0.250349882 Hartree
53	C4 Ryd(3p)	0.004115449	0.688827984 Hartree
54	C4 Val(2p)	1.017057524	-0.318734013 Hartree
55	C4 Ryd(3p)	0.000601190	0.410058735 Hartree
56	C4 Ryd(3d)	0.000912442	2.062166129 Hartree
57	C4 Ryd(3d)	0.000686464	1.677844192 Hartree
58	C4 Ryd(3d)	0.000484523	1.625645509 Hartree
59	C4 Ryd(3d)	0.001003707	2.182476182 Hartree
60	C4 Ryd(3d)	0.000821725	2.022378075 Hartree
61	C5 Cor(1s)	1.999997716	-10.427581137 Hartree
62	C5 Val(2s)	1.014416922	-0.348183843 Hartree
63	C5 Ryd(3s)	0.000421102	0.836383610 Hartree
64	C5 Ryd(4s)	0.000053541	3.986129348 Hartree
65	C5 Val(2p)	1.090460255	-0.231048869 Hartree
66	C5 Ryd(3p)	0.003356952	0.487042918 Hartree
67	C5 Val(2p)	1.137176644	-0.258492859 Hartree
68	C5 Ryd(3p)	0.004610226	0.751541138 Hartree
69	C5 Val(2p)	0.825198086	-0.317897162 Hartree
70	C5 Ryd(3p)	0.001356094	0.405165001 Hartree
71	C5 Ryd(3d)	0.001063780	2.068116587 Hartree
72	C5 Ryd(3d)	0.000858883	1.688841215 Hartree
73	C5 Ryd(3d)	0.000234718	1.634517012 Hartree
74	C5 Ryd(3d)	0.000935920	2.122203153 Hartree
75	C5 Ryd(3d)	0.000825724	1.987567850 Hartree
76	H6 Val(1s)	0.705139721	-0.061051978 Hartree
77	H6 Ryd(2s)	0.000251779	0.385631230 Hartree
78	H7 Val(1s)	0.698291304	-0.050840696 Hartree
79	H7 Ryd(2s)	0.000244293	0.383146211 Hartree
80	H8 Val(1s)	0.710619989	-0.095108194 Hartree
81	H8 Ryd(2s)	0.000339501	0.351945883 Hartree
82	H9 Val(1s)	0.517968757	-0.042536373 Hartree
83	H9 Ryd(2s)	0.000987034	0.351925229 Hartree
84	H10 Val(1s)	0.680238302	-0.089453304 Hartree
85	H10 Ryd(2s)	0.000656364	0.435858147 Hartree
86	H11 Val(1s)	0.680238302	-0.089453304 Hartree
87	H11 Ryd(2s)	0.000656364	0.435858147 Hartree

Display Range		- / 87
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999996807	-10.447025855 Hartree
2	CR(1)N2 s(100.00%)	1.999999847	-14.623656912 Hartree
3	CR(1)C3 s(100.00%)	1.999997340	-10.484264088 Hartree
4	CR(1)C4 s(100.00%)	1.999997503	-10.407877169 Hartree
5	CR(1)C5 s(100.00%)	1.999997716	-10.427581137 Hartree
6	BD(1)C1(N2) 1s(20.96%)p3.76(78.89%)d0.01(0.15%)	0.742200408	-0.252378287 Hartree
7	BD(1)N2(C1) 2s(31.99%)p2.12(67.95%)d0.00(0.06%)	1.264173109	-0.510646468 Hartree
8	BD(1)C1(C5) 1s(28.42%)p2.52(71.51%)d0.00(0.07%)	1.022925505	-0.295194151 Hartree
9	BD(1)C5(C1) 5s(30.19%)p2.31(69.73%)d0.00(0.08%)	0.969802726	-0.266480058 Hartree
10	BD(1)C1(H10) 1s(25.34%)p2.94(74.59%)d0.00(0.08%)	1.275100028	-0.361887763 Hartree
11	BD(1)H10(C1) 10s(100.00%)	0.680235254	-0.088212207 Hartree
12	BD(1)C1(H11) 1s(25.34%)p2.94(74.59%)d0.00(0.08%)	1.275100028	-0.361887763 Hartree
13	BD(1)H11(C1) 11s(100.00%)	0.680235254	-0.088212207 Hartree
14	BD(1)N2(C3) 2s(37.44%)p1.67(62.46%)d0.00(0.10%)	1.245378517	-0.492196263 Hartree
15	BD(1)C3(N2) 3s(30.05%)p2.32(69.81%)d0.00(0.14%)	0.757730728	-0.172850367 Hartree
16	BD(2)N2(C3) 2s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.489801385	-0.482696347 Hartree
17	BD(2)C3(N2) 3s(0.00%)p1.00(99.74%)d0.00(0.26%)	0.741137532	-0.338115032 Hartree
18	BD(1)N2(H9) 2s(30.38%)p2.29(69.55%)d0.00(0.07%)	1.485760816	-0.580648718 Hartree
19	BD(1)H9(N2) 9s(100.00%)	0.517955144	-0.039307669 Hartree
20	BD(1)C3(C4) 3s(35.89%)p1.78(64.05%)d0.00(0.06%)	1.018411841	-0.276047741 Hartree
21	BD(1)C4(C3) 4s(30.10%)p2.32(69.82%)d0.00(0.09%)	0.975661700	-0.250017030 Hartree
22	BD(1)C3(H8) 3s(34.07%)p1.93(65.86%)d0.00(0.07%)	1.285551672	-0.383841580 Hartree
23	BD(1)H8(C3) 8s(100.00%)	0.710618490	-0.094345291 Hartree
24	BD(1)C4(C5) 4s(35.66%)p1.80(64.26%)d0.00(0.08%)	1.001961904	-0.209703063 Hartree
25	BD(1)C5(C4) 5s(36.26%)p1.76(63.67%)d0.00(0.07%)	0.990345785	-0.203430327 Hartree
26	BD(2)C4(C5) 4s(0.00%)p1.00(99.90%)d0.00(0.10%)	1.018321458	-0.319457097 Hartree
27	BD(2)C5(C4) 5s(0.00%)p1.00(99.89%)d0.00(0.11%)	0.826075591	-0.318053719 Hartree
28	BD(1)C4(H7) 4s(34.13%)p1.93(65.81%)d0.00(0.06%)	1.297355798	-0.346473413 Hartree
29	BD(1)H7(C4) 7s(100.00%)	0.698290014	-0.050115536 Hartree
30	BD(1)C5(H6) 5s(33.41%)p1.99(66.53%)d0.00(0.07%)	1.288683695	-0.349618485 Hartree
31	BD(1)H6(C5) 6s(100.00%)	0.705138525	-0.060346143 Hartree
32	RY(1)C1 s(1.84%)p44.29(81.29%)d9.19(16.87%)	0.002233695	0.570712640 Hartree
33	RY(2)C1 s(0.00%)p1.00(47.88%)d1.09(52.12%)	0.001459264	1.232540088 Hartree
34	RY(3)C1 s(1.51%)p63.33(95.49%)d1.99(3.00%)	0.001322684	0.427462032 Hartree
35	RY(4)C1 s(0.00%)p1.00(4.57%)d20.87(95.43%)	0.000572703	1.721370763 Hartree
36	RY(5)C1 s(90.40%)p0.01(0.73%)d0.10(8.87%)	0.000303115	1.396457494 Hartree
37	RY(6)C1 s(7.73%)p0.25(1.91%)d11.69(90.36%)	0.000131424	2.160562408 Hartree
38	RY(7)C1 s(72.56%)p0.01(0.87%)d0.37(26.57%)	0.000018898	3.361030137 Hartree
39	RY(8)C1 s(24.15%)p0.09(2.08%)d3.06(73.78%)	0.000001926	2.237325311 Hartree
40	RY(9)C1 s(1.78%)p10.09(17.96%)d45.09(80.26%)	0.000000284	1.579326309 Hartree
41	RY(10)C1 s(0.00%)p1.00(47.63%)d1.10(52.37%)	0.000000000	1.122986529 Hartree
42	RY(1)N2 s(0.07%)p99.99(75.96%)d99.99(23.97%)	0.002195615	1.458423663 Hartree
43	RY(2)N2 s(0.00%)p1.00(92.08%)d0.09(7.92%)	0.001938201	0.589475509 Hartree
44	RY(3)N2 s(19.09%)p3.46(66.02%)d0.78(14.89%)	0.000690271	1.141256548 Hartree
45	RY(4)N2 s(0.00%)p1.00(0.60%)d99.99(99.40%)	0.000436875	1.623536823 Hartree
46	RY(5)N2 s(78.58%)p0.14(10.61%)d0.14(10.81%)	0.000429982	1.291329906 Hartree
47	RY(6)N2 s(6.72%)p3.67(24.65%)d10.21(68.63%)	0.000124006	1.656883709 Hartree
48	RY(7)N2 s(1.43%)p10.20(14.63%)d58.52(83.94%)	0.000012136	1.926085954 Hartree
49	RY(8)N2 s(35.64%)p0.07(2.40%)d1.74(61.96%)	0.000007049	2.502262724 Hartree
50	RY(9)N2 s(0.00%)p1.00(7.38%)d12.54(92.62%)	0.000000000	1.543830497 Hartree
51	RY(10)N2 s(58.66%)p0.10(5.77%)d0.61(35.57%)	0.000000649	2.814255891 Hartree
52	RY(1)C3 s(0.67%)p99.99(82.41%)d25.10(16.92%)	0.004419997	1.029502006 Hartree
53	RY(2)C3 s(6.63%)p13.67(90.68%)d0.41(2.69%)	0.001995985	0.441896914 Hartree
54	RY(3)C3 s(0.00%)p1.00(25.99%)d2.85(74.01%)	0.001996275	1.363222248 Hartree
55	RY(4)C3 s(0.00%)p1.00(66.79%)d0.50(33.21%)	0.000394448	0.753728353 Hartree
56	RY(5)C3 s(89.83%)p0.08(6.87%)d0.04(3.30%)	0.000376563	0.919723023 Hartree
57	RY(6)C3 s(6.64%)p0.09(0.63%)d13.98(92.74%)	0.000222936	2.092104418 Hartree
58	RY(7)C3 s(58.97%)p0.12(6.86%)d0.58(34.17%)	0.000031555	2.927836210 Hartree
59	RY(8)C3 s(23.36%)p0.51(11.84%)d2.77(64.79%)	0.000015852	2.223314935 Hartree
60	RY(9)C3 s(0.00%)p1.00(7.47%)d12.38(92.53%)	0.000000000	1.544422046 Hartree
61	RY(10)C3 s(13.89%)p0.07(1.00%)d6.13(85.11%)	0.000000397	2.259566400 Hartree
62	RY(1)C4 s(1.75%)p49.61(86.90%)d6.48(11.35%)	0.003182676	1.088007557 Hartree
63	RY(2)C4 s(0.19%)p99.99(97.16%)d13.88(2.65%)	0.001679392	0.503939790 Hartree
64	RY(3)C4 s(0.00%)p1.00(63.97%)d0.56(36.03%)	0.000432159	0.830803260 Hartree
65	RY(4)C4 s(0.00%)p1.00(21.65%)d3.62(78.35%)	0.000076085	1.409767602 Hartree
66	RY(5)C4 s(4.39%)p0.78(3.43%)d21.01(92.18%)	0.000061929	2.155004266 Hartree
67	RY(6)C4 s(74.61%)p0.07(5.45%)d0.27(19.94%)	0.000049955	2.306248852 Hartree
68	RY(7)C4 s(21.85%)p0.24(5.27%)d3.33(72.87%)	0.000015958	2.275857511 Hartree
69	RY(8)C4 s(94.54%)p0.01(0.72%)d0.05(4.73%)	0.000006601	1.983081334 Hartree
70	RY(9)C4 s(0.00%)p1.00(14.48%)d5.91(85.52%)	0.000000000	1.473700658 Hartree
71	RY(10)C4 s(2.77%)p0.42(1.17%)d34.63(96.05%)	0.000000260	2.076243889 Hartree
72	RY(1)C5 s(1.39%)p60.71(84.55%)d10.09(14.06%)	0.003147527	1.056244539 Hartree
73	RY(2)C5 s(0.00%)p1.00(82.58%)d0.21(17.42%)	0.001476187	0.627690366 Hartree
74	RY(3)C5 s(0.81%)p99.99(97.94%)d1.53(1.25%)	0.001068946	0.459587102 Hartree
75	RY(4)C5 s(77.02%)p0.02(1.18%)d0.28(21.80%)	0.000176048	1.390585641 Hartree
76	RY(5)C5 s(0.00%)p1.00(7.15%)d12.98(92.85%)	0.000096004	1.535655975 Hartree
77	RY(6)C5 s(27.38%)p0.03(0.83%)d2.62(71.79%)	0.000072703	2.282255981 Hartree
78	RY(7)C5 s(5.99%)p1.84(11.05%)d13.86(82.97%)	0.000019319	1.854787415 Hartree
79	RY(8)C5 s(86.61%)p0.03(2.88%)d0.12(10.50%)	0.000001781	3.229880559 Hartree
80	RY(9)C5 s(0.93%)p1.76(1.65%)d99.99(97.42%)	0.000002536	1.947446667 Hartree
81	RY(10)C5 s(0.00%)p1.00(10.38%)d8.63(89.62%)	0.000000000	1.565333444 Hartree
82	RY(1)H6 s(100.00%)	0.000252976	0.384925396 Hartree
83	RY(1)H7 s(100.00%)	0.000245583	0.382421052 Hartree
84	RY(1)H8 s(100.00%)	0.000341000	0.351182980 Hartree
85	RY(1)H9 s(100.00%)	0.001000646	0.348696525 Hartree
86	RY(1)H10 s(100.00%)	0.000659413	0.434617050 Hartree
87	RY(1)H11 s(100.00%)	0.000659413	0.434617050 Hartree

Display Range		- / 87
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	1681	1.999996807	-10.447025855 Hartree
2	CR(1)N2	1682	1.999999847	-14.623656912 Hartree
3	CR(1)C3	1683	1.999997340	-10.484264088 Hartree
4	CR(1)C4	1684	1.999997503	-10.407877169 Hartree
5	CR(1)C5	1685	1.999997716	-10.427581137 Hartree
6	BD(1)C1-N2	1686, 1687	1.987735450	-0.877084856 Hartree
7	BD(1)C1-C5	1688, 1689	1.982630469	-0.770871907 Hartree
8	BD(1)C1-H10	1690, 1691	1.944289084	-0.699326649 Hartree
9	BD(1)C1-H11	1692, 1693	1.944289084	-0.699326649 Hartree
10	BD(1)N2-C3	1694, 1695	1.992461343	-0.985803633 Hartree
11	BD(2)N2-C3	1696, 1697	1.963661440	-0.581720249 Hartree
12	BD(1)N2-H9	1698, 1699	1.990147987	-0.864325837 Hartree
13	BD(1)C3-C4	1700, 1701	1.980935350	-0.803990817 Hartree
14	BD(1)C3-H8	1702, 1703	1.985140065	-0.742604620 Hartree
15	BD(1)C4-C5	1704, 1705	1.983448539	-0.820961130 Hartree
16	BD(2)C4-C5	1706, 1707	1.772010085	-0.470594216 Hartree
17	BD(1)C4-H7	1708, 1709	1.984269856	-0.697890559 Hartree
18	BD(1)C5-H6	1710, 1711	1.983958320	-0.706867257 Hartree
19	BD*(1)C1-N2		0.018638066	0.114060101 Hartree
20	BD*(1)C1-C5		0.010097762	0.209197698 Hartree
21	BD*(1)C1-H10		0.011046198	0.249226679 Hartree
22	BD*(1)C1-H11		0.011046198	0.249226679 Hartree
23	BD*(1)N2-C3		0.010647902	0.320757003 Hartree
24	BD*(2)N2-C3		0.267277476	-0.239091130 Hartree
25	BD*(1)N2-H9		0.013567973	0.244369450 Hartree
26	BD*(1)C3-C4		0.013138191	0.277926046 Hartree
27	BD*(1)C3-H8		0.011030097	0.264417749 Hartree
28	BD*(1)C4-C5		0.008859149	0.407827740 Hartree
29	BD*(2)C4-C5		0.072386964	-0.166916600 Hartree
30	BD*(1)C4-H7		0.011375956	0.301301610 Hartree
31	BD*(1)C5-H6		0.009863901	0.296902629 Hartree
32	RY(1)C1	1712	0.002233695	0.570712640 Hartree
33	RY(2)C1	1713	0.001459264	1.232540088 Hartree
34	RY(3)C1	1714	0.001322684	0.427462032 Hartree
35	RY(4)C1	1715	0.000572703	1.721370763 Hartree
36	RY(5)C1	1716	0.000303115	1.396457494 Hartree
37	RY(6)C1	1717	0.000131424	2.160562408 Hartree
38	RY(7)C1	1718	0.000018898	3.361030137 Hartree
39	RY(8)C1	1719	0.000001926	2.237325311 Hartree
40	RY(9)C1	1720	0.000000284	1.579326309 Hartree
41	RY(10)C1	1721	0.000000000	1.122986529 Hartree
42	RY(1)N2	1722	0.002195615	1.458423663 Hartree
43	RY(2)N2	1723	0.001938201	0.589475509 Hartree
44	RY(3)N2	1724	0.000690271	1.141256548 Hartree
45	RY(4)N2	1725	0.000436875	1.623536823 Hartree
46	RY(5)N2	1726	0.000429982	1.291329906 Hartree
47	RY(6)N2	1727	0.000124006	1.656883709 Hartree
48	RY(7)N2	1728	0.000012136	1.926085954 Hartree
49	RY(8)N2	1729	0.000007049	2.502262724 Hartree
50	RY(9)N2	1730	0.000000000	1.543830497 Hartree
51	RY(10)N2	1731	0.000000649	2.814255891 Hartree
52	RY(1)C3	1732	0.004419997	1.029502006 Hartree
53	RY(2)C3	1733	0.001995985	0.441896914 Hartree
54	RY(3)C3	1734	0.001996275	1.363222248 Hartree
55	RY(4)C3	1735	0.000394448	0.753728353 Hartree
56	RY(5)C3	1736	0.000376563	0.919723023 Hartree
57	RY(6)C3	1737	0.000222936	2.092104418 Hartree
58	RY(7)C3	1738	0.000031555	2.927836210 Hartree
59	RY(8)C3	1739	0.000015852	2.223314935 Hartree
60	RY(9)C3	1740	0.000000000	1.544422046 Hartree
61	RY(10)C3	1741	0.000000397	2.259566400 Hartree
62	RY(1)C4	1742	0.003182676	1.088007557 Hartree
63	RY(2)C4	1743	0.001679392	0.503939790 Hartree
64	RY(3)C4	1744	0.000432159	0.830803260 Hartree
65	RY(4)C4	1745	0.000076085	1.409767602 Hartree
66	RY(5)C4	1746	0.000061929	2.155004266 Hartree
67	RY(6)C4	1747	0.000049955	2.306248852 Hartree
68	RY(7)C4	1748	0.000015958	2.275857511 Hartree
69	RY(8)C4	1749	0.000006601	1.983081334 Hartree
70	RY(9)C4	1750	0.000000000	1.473700658 Hartree
71	RY(10)C4	1751	0.000000260	2.076243889 Hartree
72	RY(1)C5	1752	0.003147527	1.056244539 Hartree
73	RY(2)C5	1753	0.001476187	0.627690366 Hartree
74	RY(3)C5	1754	0.001068946	0.459587102 Hartree
75	RY(4)C5	1755	0.000176048	1.390585641 Hartree
76	RY(5)C5	1756	0.000096004	1.535655975 Hartree
77	RY(6)C5	1757	0.000072703	2.282255981 Hartree
78	RY(7)C5	1758	0.000019319	1.854787415 Hartree
79	RY(8)C5	1759	0.000001781	3.229880559 Hartree
80	RY(9)C5	1760	0.000002536	1.947446667 Hartree
81	RY(10)C5	1761	0.000000000	1.565333444 Hartree
82	RY(1)H6	1762	0.000252976	0.384925396 Hartree
83	RY(1)H7	1763	0.000245583	0.382421052 Hartree
84	RY(1)H8	1764	0.000341000	0.351182980 Hartree
85	RY(1)H9	1765	0.001000646	0.348696525 Hartree
86	RY(1)H10	1766	0.000659413	0.434617050 Hartree
87	RY(1)H11	1767	0.000659413	0.434617050 Hartree

SLITHERY-DITHERY FRIEDRICH A. KEKULE DREAMT ON A BUS OF THINGS FREUD WOULD THINK KEEN. MOST OF THE TIME THEY WERE HERPETOLOGICAL BITING THEIR TAILS IN THE SHAPE OF BENZENE.