WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C5H5N
Symmetry	CS
Basis	6-31G(d)
RB3LYP Energy	-248.284972903 Hartree
Dipole Moment	2.1926 Debye
Server	chem344 (2081876)
CPU time	14.5 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	6.0355684	0.20132489124
b	5.8040480	0.19360220196
c	2.9587723	0.09869402051

Atom	Symbol	Charge
1	C	0.038701
2	C	-0.136363
3	C	-0.104364
4	C	-0.136363
5	C	0.038701
6	N	-0.405648
7	H	0.142214
8	H	0.138256
9	H	0.144399
10	H	0.138256
11	H	0.142213

Display Range		- / 100
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-14.32857 Hartree
2	-	2	-10.22217 Hartree
3	-	2	-10.22216 Hartree
4	-	2	-10.21023 Hartree
5	-	2	-10.20016 Hartree
6	-	2	-10.20015 Hartree
7	-	2	-0.93782 Hartree
8	-	2	-0.80269 Hartree
9	-	2	-0.75966 Hartree
10	-	2	-0.62814 Hartree
11	-	2	-0.62676 Hartree
12	-	2	-0.52769 Hartree
13	-	2	-0.47664 Hartree
14	-	2	-0.47150 Hartree
15	-	2	-0.42856 Hartree
16	-	2	-0.40352 Hartree
17	-	2	-0.39440 Hartree
18	-	2	-0.36382 Hartree
19	-	2	-0.28588 Hartree
20	-	2	-0.26141 Hartree
21	-	2	-0.25261 Hartree
22	-	0	-0.02250 Hartree
23	-	0	-0.00942 Hartree
24	-	0	0.09288 Hartree
25	-	0	0.13759 Hartree
26	-	0	0.14680 Hartree
27	-	0	0.15442 Hartree
28	-	0	0.17519 Hartree
29	-	0	0.17649 Hartree
30	-	0	0.24103 Hartree
31	-	0	0.29476 Hartree
32	-	0	0.32033 Hartree
33	-	0	0.32094 Hartree
34	-	0	0.45377 Hartree
35	-	0	0.45955 Hartree
36	-	0	0.51544 Hartree
37	-	0	0.53571 Hartree
38	-	0	0.58304 Hartree
39	-	0	0.58606 Hartree
40	-	0	0.59272 Hartree
41	-	0	0.59288 Hartree
42	-	0	0.59697 Hartree
43	-	0	0.60301 Hartree
44	-	0	0.64316 Hartree
45	-	0	0.65545 Hartree
46	-	0	0.67276 Hartree
47	-	0	0.68678 Hartree
48	-	0	0.82238 Hartree
49	-	0	0.82557 Hartree
50	-	0	0.84426 Hartree
51	-	0	0.85013 Hartree
52	-	0	0.86115 Hartree
53	-	0	0.87748 Hartree
54	-	0	0.91927 Hartree
55	-	0	0.92595 Hartree
56	-	0	0.96484 Hartree
57	-	0	1.03736 Hartree
58	-	0	1.06727 Hartree
59	-	0	1.10851 Hartree
60	-	0	1.15856 Hartree
61	-	0	1.20981 Hartree
62	-	0	1.25030 Hartree
63	-	0	1.36952 Hartree
64	-	0	1.37906 Hartree
65	-	0	1.46074 Hartree
66	-	0	1.47504 Hartree
67	-	0	1.47934 Hartree
68	-	0	1.51418 Hartree
69	-	0	1.52433 Hartree
70	-	0	1.69932 Hartree
71	-	0	1.77660 Hartree
72	-	0	1.81154 Hartree
73	-	0	1.82136 Hartree
74	-	0	1.91694 Hartree
75	-	0	1.96414 Hartree
76	-	0	2.05097 Hartree
77	-	0	2.12758 Hartree
78	-	0	2.13119 Hartree
79	-	0	2.16892 Hartree
80	-	0	2.17876 Hartree
81	-	0	2.19117 Hartree
82	-	0	2.29311 Hartree
83	-	0	2.31768 Hartree
84	-	0	2.38135 Hartree
85	-	0	2.51780 Hartree
86	-	0	2.54168 Hartree
87	-	0	2.64298 Hartree
88	-	0	2.65722 Hartree
89	-	0	2.69046 Hartree
90	-	0	2.71157 Hartree
91	-	0	2.76947 Hartree
92	-	0	2.77819 Hartree
93	-	0	3.04210 Hartree
94	-	0	3.36856 Hartree
95	-	0	4.03592 Hartree
96	-	0	4.09686 Hartree
97	-	0	4.12219 Hartree
98	-	0	4.22811 Hartree
99	-	0	4.31692 Hartree
100	-	0	4.58197 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	0.01928
2	C	-0.27606
3	C	-0.20326
4	C	-0.27606
5	C	0.01928
6	N	-0.45214
7	H	0.22263
8	H	0.24126
9	H	0.24118
10	H	0.24126
11	H	0.22263

Display Range		- / 100
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999204055	-10.086817588 Hartree
2	C1 Val(2S)	0.936520695	-0.174100961 Hartree
3	C1 Ryd(3S)	0.001411120	1.094387673 Hartree
4	C1 Ryd(4S)	0.000092658	3.872595063 Hartree
5	C1 Val(2p)	1.047472373	-0.026953914 Hartree
6	C1 Ryd(3p)	0.008777834	0.719718650 Hartree
7	C1 Val(2p)	1.041453889	-0.036347738 Hartree
8	C1 Ryd(3p)	0.007259567	0.930468435 Hartree
9	C1 Val(2p)	0.933500026	-0.110546996 Hartree
10	C1 Ryd(3p)	0.000862773	0.596015964 Hartree
11	C1 Ryd(3d)	0.001313670	2.497894070 Hartree
12	C1 Ryd(3d)	0.000634955	1.949176061 Hartree
13	C1 Ryd(3d)	0.000567935	1.977976476 Hartree
14	C1 Ryd(3d)	0.001277257	2.463371952 Hartree
15	C1 Ryd(3d)	0.000375188	2.313155709 Hartree
16	C2 Cor(1S)	1.999080255	-10.054686949 Hartree
17	C2 Val(2S)	0.978580231	-0.188579959 Hartree
18	C2 Ryd(3S)	0.000602467	1.116336732 Hartree
19	C2 Ryd(4S)	0.000041773	4.064712057 Hartree
20	C2 Val(2p)	1.105731192	-0.056442273 Hartree
21	C2 Ryd(3p)	0.004592864	0.783569382 Hartree
22	C2 Val(2p)	1.170856163	-0.060245704 Hartree
23	C2 Ryd(3p)	0.004055470	1.006357732 Hartree
24	C2 Val(2p)	1.009207788	-0.113574125 Hartree
25	C2 Ryd(3p)	0.000598832	0.612510094 Hartree
26	C2 Ryd(3d)	0.000744251	2.366804755 Hartree
27	C2 Ryd(3d)	0.000400327	1.902999080 Hartree
28	C2 Ryd(3d)	0.000394543	1.823345673 Hartree
29	C2 Ryd(3d)	0.000736695	2.381602818 Hartree
30	C2 Ryd(3d)	0.000433170	2.266651609 Hartree
31	C3 Cor(1S)	1.999094490	-10.063254319 Hartree
32	C3 Val(2S)	0.969373048	-0.186832148 Hartree
33	C3 Ryd(3S)	0.000568441	1.161407000 Hartree
34	C3 Ryd(4S)	0.000042405	3.992863166 Hartree
35	C3 Val(2p)	1.200623105	-0.067957167 Hartree
36	C3 Ryd(3p)	0.005506997	1.100805239 Hartree
37	C3 Val(2p)	1.066184586	-0.049967692 Hartree
38	C3 Ryd(3p)	0.004405779	0.673076115 Hartree
39	C3 Val(2p)	0.954231572	-0.114878110 Hartree
40	C3 Ryd(3p)	0.000367492	0.606132241 Hartree
41	C3 Ryd(3d)	0.000617585	2.385445777 Hartree
42	C3 Ryd(3d)	0.000365123	1.784581732 Hartree
43	C3 Ryd(3d)	0.000535212	1.928524694 Hartree
44	C3 Ryd(3d)	0.000918258	2.347679412 Hartree
45	C3 Ryd(3d)	0.000426031	2.258549013 Hartree
46	C4 Cor(1S)	1.999080255	-10.054686955 Hartree
47	C4 Val(2S)	0.978580228	-0.188579968 Hartree
48	C4 Ryd(3S)	0.000602467	1.116336746 Hartree
49	C4 Ryd(4S)	0.000041773	4.064712020 Hartree
50	C4 Val(2p)	1.105731213	-0.056442295 Hartree
51	C4 Ryd(3p)	0.004592864	0.783569353 Hartree
52	C4 Val(2p)	1.170856167	-0.060245709 Hartree
53	C4 Ryd(3p)	0.004055469	1.006357715 Hartree
54	C4 Val(2p)	1.009207792	-0.113574129 Hartree
55	C4 Ryd(3p)	0.000598832	0.612510090 Hartree
56	C4 Ryd(3d)	0.000744251	2.366804740 Hartree
57	C4 Ryd(3d)	0.000400327	1.902999069 Hartree
58	C4 Ryd(3d)	0.000394543	1.823345669 Hartree
59	C4 Ryd(3d)	0.000736695	2.381602802 Hartree
60	C4 Ryd(3d)	0.000433170	2.266651602 Hartree
61	C5 Cor(1S)	1.999204055	-10.086817642 Hartree
62	C5 Val(2S)	0.936520786	-0.174101054 Hartree
63	C5 Ryd(3S)	0.001411118	1.094387371 Hartree
64	C5 Ryd(4S)	0.000092658	3.872595602 Hartree
65	C5 Val(2p)	1.047472348	-0.026953943 Hartree
66	C5 Ryd(3p)	0.008777833	0.719718607 Hartree
67	C5 Val(2p)	1.041453828	-0.036347753 Hartree
68	C5 Ryd(3p)	0.007259562	0.930468451 Hartree
69	C5 Val(2p)	0.933500063	-0.110547016 Hartree
70	C5 Ryd(3p)	0.000862774	0.596015974 Hartree
71	C5 Ryd(3d)	0.001313670	2.497893880 Hartree
72	C5 Ryd(3d)	0.000634955	1.949175951 Hartree
73	C5 Ryd(3d)	0.000567935	1.977976294 Hartree
74	C5 Ryd(3d)	0.001277256	2.463371778 Hartree
75	C5 Ryd(3d)	0.000375188	2.313155662 Hartree
76	N6 Cor(1S)	1.999480285	-14.135271132 Hartree
77	N6 Val(2S)	1.378221870	-0.508958433 Hartree
78	N6 Ryd(3S)	0.000516932	1.714320425 Hartree
79	N6 Ryd(4S)	0.000011012	3.920016161 Hartree
80	N6 Val(2p)	1.690553539	-0.207831047 Hartree
81	N6 Ryd(3p)	0.006386646	0.889597612 Hartree
82	N6 Val(2p)	1.213231234	-0.148546944 Hartree
83	N6 Ryd(3p)	0.003755192	1.168661177 Hartree
84	N6 Val(2p)	1.148700758	-0.166041239 Hartree
85	N6 Ryd(3p)	0.000395199	0.835218643 Hartree
86	N6 Ryd(3d)	0.003202340	2.373716679 Hartree
87	N6 Ryd(3d)	0.002736284	1.759894060 Hartree
88	N6 Ryd(3d)	0.000333962	1.776984474 Hartree
89	N6 Ryd(3d)	0.002465727	2.035999306 Hartree
90	N6 Ryd(3d)	0.002153669	2.088297978 Hartree
91	H7 Val(1S)	0.776256179	0.088546543 Hartree
92	H7 Ryd(2S)	0.001112690	0.571594644 Hartree
93	H8 Val(1S)	0.757765639	0.087070781 Hartree
94	H8 Ryd(2S)	0.000974877	0.556419498 Hartree
95	H9 Val(1S)	0.758009720	0.085167346 Hartree
96	H9 Ryd(2S)	0.000806619	0.551571997 Hartree
97	H10 Val(1S)	0.757765644	0.087070782 Hartree
98	H10 Ryd(2S)	0.000974877	0.556419505 Hartree
99	H11 Val(1S)	0.776256200	0.088546542 Hartree
100	H11 Ryd(2S)	0.001112691	0.571594671 Hartree

Display Range		- / 100
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(38.21%)p1.62(61.75%)d0.00(0.04%)	0.986912721	-0.061897080 Hartree
2	BD(1)C2(C1) 2s(34.60%)p1.89(65.36%)d0.00(0.04%)	1.025976204	-0.074484284 Hartree
3	BD(1)C1(N6) 1s(31.22%)p2.20(68.72%)d0.00(0.07%)	0.817601594	-0.009974312 Hartree
4	BD(1)N6(C1) 6s(35.41%)p1.82(64.40%)d0.01(0.20%)	1.183727970	-0.261186345 Hartree
5	BD(2)C1(N6) 1s(0.00%)p1.00(99.93%)d0.00(0.07%)	0.933872382	-0.110287432 Hartree
6	BD(2)N6(C1) 6s(0.00%)p1.00(99.75%)d0.00(0.25%)	1.151484118	-0.166046450 Hartree
7	BD(1)C1(H11) 1s(30.54%)p2.27(69.39%)d0.00(0.06%)	1.228137538	-0.138547809 Hartree
8	BD(1)H11(C1) 11s(100.00%)	0.776246642	0.090443505 Hartree
9	BD(1)C2(C3) 2s(34.92%)p1.86(65.04%)d0.00(0.04%)	0.995791275	-0.062885154 Hartree
10	BD(1)C3(C2) 3s(35.01%)p1.86(64.95%)d0.00(0.04%)	1.000896612	-0.066568555 Hartree
11	BD(2)C2(C3) 2s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.009756255	-0.114203912 Hartree
12	BD(2)C3(C2) 3s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.954632315	-0.115167028 Hartree
13	BD(1)C2(H10) 2s(30.45%)p2.28(69.50%)d0.00(0.05%)	1.237631790	-0.149021352 Hartree
14	BD(1)H10(C2) 10s(100.00%)	0.757763031	0.088068944 Hartree
15	BD(1)C3(C4) 3s(35.01%)p1.86(64.95%)d0.00(0.04%)	1.000896611	-0.066568563 Hartree
16	BD(1)C4(C3) 4s(34.92%)p1.86(65.04%)d0.00(0.04%)	0.995791278	-0.062885160 Hartree
17	BD(1)C3(H9) 3s(29.95%)p2.34(70.00%)d0.00(0.05%)	1.238687860	-0.153238185 Hartree
18	BD(1)H9(C3) 9s(100.00%)	0.758007994	0.085977563 Hartree
19	BD(1)C4(C5) 4s(34.60%)p1.89(65.36%)d0.00(0.04%)	1.025976216	-0.074484306 Hartree
20	BD(1)C5(C4) 5s(38.21%)p1.62(61.75%)d0.00(0.04%)	0.986912695	-0.061897072 Hartree
21	BD(2)C4(C5) 4s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.009779927	-0.114546209 Hartree
22	BD(2)C5(C4) 5s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.934013520	-0.111996226 Hartree
23	BD(1)C4(H8) 4s(30.45%)p2.28(69.50%)d0.00(0.05%)	1.237631795	-0.149021359 Hartree
24	BD(1)H8(C4) 8s(100.00%)	0.757763026	0.088068944 Hartree
25	BD(1)C5(N6) 5s(31.22%)p2.20(68.72%)d0.00(0.07%)	0.817601608	-0.009974444 Hartree
26	BD(1)N6(C5) 6s(35.41%)p1.82(64.40%)d0.01(0.20%)	1.183727959	-0.261186336 Hartree
27	BD(1)C5(H7) 5s(30.54%)p2.27(69.39%)d0.00(0.06%)	1.228137552	-0.138547832 Hartree
28	BD(1)H7(C5) 7s(100.00%)	0.776246621	0.090443504 Hartree
29	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999208053	-10.087164575 Hartree
30	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999083424	-10.055158919 Hartree
31	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999097571	-10.063590724 Hartree
32	CR(1)C4 s(100.00%)p0.00(0.00%)	1.999083424	-10.055158925 Hartree
33	CR(1)C5 s(100.00%)p0.00(0.00%)	1.999208053	-10.087164629 Hartree
34	CR(1)N6 s(100.00%)	1.999480121	-14.135955871 Hartree
35	LP(1)N6 s(29.12%)p2.43(70.72%)d0.01(0.15%)	1.925793769	-0.333773645 Hartree
36	RY*(1)C1 s(2.25%)p39.36(88.75%)d3.99(9.00%)	0.007190036	0.845732590 Hartree
37	RY*(2)C1 s(1.69%)p54.95(92.85%)d3.23(5.46%)	0.005146482	1.043124305 Hartree
38	RY*(3)C1 s(0.00%)p1.00(17.66%)d4.66(82.34%)	0.001262988	1.844364466 Hartree
39	RY*(4)C1 s(30.87%)p0.30(9.38%)d1.94(59.74%)	0.000580511	1.841450678 Hartree
40	RY*(5)C1 s(0.00%)p1.00(70.16%)d0.43(29.84%)	0.000430319	0.972121431 Hartree
41	RY*(6)C1 s(55.23%)p0.02(1.27%)d0.79(43.51%)	0.000266132	1.619614973 Hartree
42	RY*(7)C1 s(49.80%)p0.06(2.74%)d0.95(47.46%)	0.000096127	3.392477756 Hartree
43	RY*(8)C1 s(33.23%)p0.15(5.06%)d1.86(61.71%)	0.000015181	2.584655581 Hartree
44	RY*(9)C1 s(0.00%)p1.00(12.24%)d7.17(87.76%)	0.000000000	1.706423040 Hartree
45	RY*(10)C1 s(26.95%)p0.00(0.10%)d2.71(72.95%)	0.000003931	2.537899245 Hartree
46	RY*(1)C2 s(0.54%)p99.99(91.56%)d14.69(7.90%)	0.004189888	1.246824720 Hartree
47	RY*(2)C2 s(0.19%)p99.99(98.46%)d6.98(1.35%)	0.002263047	0.719720104 Hartree
48	RY*(3)C2 s(0.00%)p1.00(23.13%)d3.32(76.87%)	0.000565870	1.616906543 Hartree
49	RY*(4)C2 s(98.75%)p0.01(0.84%)d0.00(0.41%)	0.000323832	0.966865450 Hartree
50	RY*(5)C2 s(0.00%)p1.00(64.28%)d0.56(35.72%)	0.000279365	1.047601836 Hartree
51	RY*(6)C2 s(0.16%)p8.57(1.36%)d99.99(98.48%)	0.000092235	2.363150532 Hartree
52	RY*(7)C2 s(58.14%)p0.00(0.03%)d0.72(41.82%)	0.000044431	3.457750916 Hartree
53	RY*(8)C2 s(0.47%)p16.36(7.62%)d99.99(91.91%)	0.000051737	2.223824971 Hartree
54	RY*(9)C2 s(0.00%)p1.00(12.63%)d6.92(87.37%)	0.000000000	1.674976256 Hartree
55	RY*(10)C2 s(41.78%)p0.01(0.23%)d1.39(57.99%)	0.000006668	2.989493216 Hartree
56	RY*(1)C3 s(0.54%)p99.99(91.44%)d14.96(8.02%)	0.005013842	1.257968595 Hartree
57	RY*(2)C3 s(0.00%)p1.00(98.67%)d0.01(1.33%)	0.002762773	0.686882160 Hartree
58	RY*(3)C3 s(0.00%)p1.00(0.18%)d99.99(99.82%)	0.000639542	1.925874517 Hartree
59	RY*(4)C3 s(98.34%)p0.00(0.24%)d0.01(1.42%)	0.000243034	0.990021115 Hartree
60	RY*(5)C3 s(0.00%)p1.00(84.39%)d0.18(15.61%)	0.000227542	0.758730070 Hartree
61	RY*(6)C3 s(0.00%)p1.00(1.38%)d71.69(98.62%)	0.000091027	2.357347788 Hartree
62	RY*(7)C3 s(65.99%)p0.00(0.01%)d0.52(34.01%)	0.000046356	3.604596615 Hartree
63	RY*(8)C3 s(0.84%)p9.83(8.27%)d99.99(90.89%)	0.000016230	2.171903097 Hartree
64	RY*(9)C3 s(0.00%)p1.00(15.48%)d5.46(84.52%)	0.000000000	1.634922998 Hartree
65	RY*(10)C3 s(34.34%)p0.00(0.09%)d1.91(65.57%)	0.000008813	2.833061052 Hartree
66	RY*(1)C4 s(0.54%)p99.99(91.56%)d14.69(7.90%)	0.004189888	1.246824699 Hartree
67	RY*(2)C4 s(0.19%)p99.99(98.46%)d6.98(1.35%)	0.002263047	0.719720104 Hartree
68	RY*(3)C4 s(0.00%)p1.00(15.80%)d5.33(84.20%)	0.000520403	1.718377344 Hartree
69	RY*(4)C4 s(98.75%)p0.01(0.84%)d0.00(0.41%)	0.000323832	0.966865430 Hartree
70	RY*(5)C4 s(0.00%)p1.00(71.61%)d0.40(28.39%)	0.000301163	0.946473382 Hartree
71	RY*(6)C4 s(0.16%)p8.57(1.36%)d99.99(98.48%)	0.000092235	2.363150534 Hartree
72	RY*(7)C4 s(58.14%)p0.00(0.03%)d0.72(41.82%)	0.000044431	3.457751205 Hartree
73	RY*(8)C4 s(0.47%)p16.36(7.62%)d99.99(91.91%)	0.000051737	2.223824917 Hartree
74	RY*(9)C4 s(0.00%)p1.00(12.63%)d6.92(87.37%)	0.000000000	1.674976182 Hartree
75	RY*(10)C4 s(41.78%)p0.01(0.23%)d1.39(57.99%)	0.000006668	2.989492913 Hartree
76	RY*(1)C5 s(2.25%)p39.36(88.75%)d3.99(9.00%)	0.007190032	0.845732693 Hartree
77	RY*(2)C5 s(1.69%)p54.95(92.85%)d3.23(5.46%)	0.005146482	1.043124104 Hartree
78	RY*(3)C5 s(0.00%)p1.00(12.39%)d7.07(87.61%)	0.001090006	1.925207228 Hartree
79	RY*(4)C5 s(30.87%)p0.30(9.38%)d1.94(59.74%)	0.000580511	1.841450269 Hartree
80	RY*(5)C5 s(0.00%)p1.00(75.42%)d0.33(24.58%)	0.000462200	0.892987236 Hartree
81	RY*(6)C5 s(55.23%)p0.02(1.27%)d0.79(43.51%)	0.000266132	1.619615299 Hartree
82	RY*(7)C5 s(49.80%)p0.06(2.74%)d0.95(47.46%)	0.000096127	3.392476991 Hartree
83	RY*(8)C5 s(33.23%)p0.15(5.06%)d1.86(61.71%)	0.000015181	2.584655802 Hartree
84	RY*(9)C5 s(0.00%)p1.00(12.24%)d7.17(87.76%)	0.000000000	1.706422965 Hartree
85	RY*(10)C5 s(26.95%)p0.00(0.10%)d2.71(72.95%)	0.000003931	2.537899778 Hartree
86	RY*(1)N6 s(2.12%)p45.51(96.65%)d0.58(1.22%)	0.004749810	0.857051897 Hartree
87	RY*(2)N6 s(0.00%)p1.00(99.84%)d0.00(0.16%)	0.002224473	1.145576972 Hartree
88	RY*(3)N6 s(0.00%)p1.00(3.35%)d28.82(96.65%)	0.000383496	1.743867321 Hartree
89	RY*(4)N6 s(0.00%)p1.00(88.65%)d0.13(11.35%)	0.000298589	0.905906790 Hartree
90	RY*(5)N6 s(0.00%)p1.00(0.42%)d99.99(99.58%)	0.000169284	2.388126788 Hartree
91	RY*(6)N6 s(58.57%)p0.01(0.60%)d0.70(40.83%)	0.000067594	1.847305316 Hartree
92	RY*(7)N6 s(13.28%)p0.18(2.38%)d6.35(84.35%)	0.000029665	2.020758166 Hartree
93	RY*(8)N6 s(83.57%)p0.00(0.04%)d0.20(16.39%)	0.000000376	3.569516376 Hartree
94	RY*(9)N6 s(0.00%)p1.00(8.25%)d11.13(91.75%)	0.000000000	1.722328277 Hartree
95	RY*(10)N6 s(42.53%)p0.01(0.55%)d1.34(56.92%)	0.000007424	2.353768463 Hartree
96	RY*(1)H7 s(100.00%)	0.001122247	0.569697683 Hartree
97	RY*(1)H8 s(100.00%)	0.000977491	0.555421335 Hartree
98	RY*(1)H9 s(100.00%)	0.000808344	0.550761780 Hartree
99	RY*(1)H10 s(100.00%)	0.000977491	0.555421343 Hartree
100	RY*(1)H11 s(100.00%)	0.001122248	0.569697707 Hartree

Display Range		- / 100
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	1, 2	1.986771263	-0.704263527 Hartree
2	BD(1)C1-N6	3, 4	1.986458036	-0.812766326 Hartree
3	BD(2)C1-N6	5, 6	1.711317914	-0.289021247 Hartree
4	BD(1)C1-H11	7, 8	1.983272467	-0.522268170 Hartree
5	BD(1)C2-C3	9, 10	1.981098711	-0.700997083 Hartree
6	BD(2)C2-C3	11, 12	1.648847904	-0.255308441 Hartree
7	BD(1)C2-H10	13, 14	1.982384422	-0.530300359 Hartree
8	BD(1)C3-C4	15, 16	1.981098712	-0.700997095 Hartree
9	BD(1)C3-H9	17, 18	1.983828502	-0.533817809 Hartree
10	BD(1)C4-C5	19, 20	1.986771266	-0.704263532 Hartree
11	BD(2)C4-C5	21, 22	1.638803708	-0.254672749 Hartree
12	BD(1)C4-H8	23, 24	1.982384419	-0.530300363 Hartree
13	BD(1)C5-N6	25, 26	1.986458026	-0.812766071 Hartree
14	BD(1)C5-H7	27, 28	1.983272483	-0.522268200 Hartree
15	CR(1)C1	29	1.999208053	-10.087164575 Hartree
16	CR(1)C2	30	1.999083424	-10.055158919 Hartree
17	CR(1)C3	31	1.999097571	-10.063590724 Hartree
18	CR(1)C4	32	1.999083424	-10.055158925 Hartree
19	CR(1)C5	33	1.999208053	-10.087164629 Hartree
20	CR(1)N6	34	1.999480121	-14.135955871 Hartree
21	LP(1)N6	35	1.925793769	-0.333773645 Hartree
22	RY*(1)C1	36	0.007190036	0.845732590 Hartree
23	RY*(2)C1	37	0.005146482	1.043124305 Hartree
24	RY*(3)C1	38	0.001262988	1.844364466 Hartree
25	RY*(4)C1	39	0.000580511	1.841450678 Hartree
26	RY*(5)C1	40	0.000430319	0.972121431 Hartree
27	RY*(6)C1	41	0.000266132	1.619614973 Hartree
28	RY*(7)C1	42	0.000096127	3.392477756 Hartree
29	RY*(8)C1	43	0.000015181	2.584655581 Hartree
30	RY*(9)C1	44	0.000000000	1.706423040 Hartree
31	RY*(10)C1	45	0.000003931	2.537899245 Hartree
32	RY*(1)C2	46	0.004189888	1.246824720 Hartree
33	RY*(2)C2	47	0.002263047	0.719720104 Hartree
34	RY*(3)C2	48	0.000565870	1.616906543 Hartree
35	RY*(4)C2	49	0.000323832	0.966865450 Hartree
36	RY*(5)C2	50	0.000279365	1.047601836 Hartree
37	RY*(6)C2	51	0.000092235	2.363150532 Hartree
38	RY*(7)C2	52	0.000044431	3.457750916 Hartree
39	RY*(8)C2	53	0.000051737	2.223824971 Hartree
40	RY*(9)C2	54	0.000000000	1.674976256 Hartree
41	RY*(10)C2	55	0.000006668	2.989493216 Hartree
42	RY*(1)C3	56	0.005013842	1.257968595 Hartree
43	RY*(2)C3	57	0.002762773	0.686882160 Hartree
44	RY*(3)C3	58	0.000639542	1.925874517 Hartree
45	RY*(4)C3	59	0.000243034	0.990021115 Hartree
46	RY*(5)C3	60	0.000227542	0.758730070 Hartree
47	RY*(6)C3	61	0.000091027	2.357347788 Hartree
48	RY*(7)C3	62	0.000046356	3.604596615 Hartree
49	RY*(8)C3	63	0.000016230	2.171903097 Hartree
50	RY*(9)C3	64	0.000000000	1.634922998 Hartree
51	RY*(10)C3	65	0.000008813	2.833061052 Hartree
52	RY*(1)C4	66	0.004189888	1.246824699 Hartree
53	RY*(2)C4	67	0.002263047	0.719720104 Hartree
54	RY*(3)C4	68	0.000520403	1.718377344 Hartree
55	RY*(4)C4	69	0.000323832	0.966865430 Hartree
56	RY*(5)C4	70	0.000301163	0.946473382 Hartree
57	RY*(6)C4	71	0.000092235	2.363150534 Hartree
58	RY*(7)C4	72	0.000044431	3.457751205 Hartree
59	RY*(8)C4	73	0.000051737	2.223824917 Hartree
60	RY*(9)C4	74	0.000000000	1.674976182 Hartree
61	RY*(10)C4	75	0.000006668	2.989492913 Hartree
62	RY*(1)C5	76	0.007190032	0.845732693 Hartree
63	RY*(2)C5	77	0.005146482	1.043124104 Hartree
64	RY*(3)C5	78	0.001090006	1.925207228 Hartree
65	RY*(4)C5	79	0.000580511	1.841450269 Hartree
66	RY*(5)C5	80	0.000462200	0.892987236 Hartree
67	RY*(6)C5	81	0.000266132	1.619615299 Hartree
68	RY*(7)C5	82	0.000096127	3.392476991 Hartree
69	RY*(8)C5	83	0.000015181	2.584655802 Hartree
70	RY*(9)C5	84	0.000000000	1.706422965 Hartree
71	RY*(10)C5	85	0.000003931	2.537899778 Hartree
72	RY*(1)N6	86	0.004749810	0.857051897 Hartree
73	RY*(2)N6	87	0.002224473	1.145576972 Hartree
74	RY*(3)N6	88	0.000383496	1.743867321 Hartree
75	RY*(4)N6	89	0.000298589	0.905906790 Hartree
76	RY*(5)N6	90	0.000169284	2.388126788 Hartree
77	RY*(6)N6	91	0.000067594	1.847305316 Hartree
78	RY*(7)N6	92	0.000029665	2.020758166 Hartree
79	RY*(8)N6	93	0.000000376	3.569516376 Hartree
80	RY*(9)N6	94	0.000000000	1.722328277 Hartree
81	RY*(10)N6	95	0.000007424	2.353768463 Hartree
82	RY*(1)H7	96	0.001122247	0.569697683 Hartree
83	RY*(1)H8	97	0.000977491	0.555421335 Hartree
84	RY*(1)H9	98	0.000808344	0.550761780 Hartree
85	RY*(1)H10	99	0.000977491	0.555421343 Hartree
86	RY*(1)H11	100	0.001122248	0.569697707 Hartree
87	BD*(1)C1-C2		0.026117661	0.567882163 Hartree
88	BD*(1)C1-N6		0.014871527	0.541605669 Hartree
89	BD*(2)C1-N6		0.374038586	0.012687366 Hartree
90	BD*(1)C1-H11		0.021111714	0.474163867 Hartree
91	BD*(1)C2-C3		0.015589175	0.571543373 Hartree
92	BD*(2)C2-C3		0.315540666	0.025937501 Hartree
93	BD*(1)C2-H10		0.013010399	0.469347952 Hartree
94	BD*(1)C3-C4		0.015589176	0.571543373 Hartree
95	BD*(1)C3-H9		0.012867352	0.466557187 Hartree
96	BD*(1)C4-C5		0.026117645	0.567882154 Hartree
97	BD*(2)C4-C5		0.304989740	0.028130314 Hartree
98	BD*(1)C4-H8		0.013010402	0.469347947 Hartree
99	BD*(1)C5-N6		0.014871540	0.541605292 Hartree
100	BD*(1)C5-H7		0.021111691	0.474163872 Hartree

GOD GAVE US TWO ENDS... ONE TO SIT ON... AND THE OTHER TO THINK WITH... YOUR SUCCESS DEPENDS UPON WHICH END YOU USE THE MOST... IT'S A CASE OF HEADS YOU WIN TAILS YOU LOSE. SOURCE UNKNOWN(IT'S JUST AS WELL.)