WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C5H10
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-196.527044801 Hartree
Dipole Moment	0.1993 Debye
Server	default (2770175)
CPU time	49 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	7.8331694	0.26128640634
b	3.7747962	0.12591364790
c	2.8038016	0.09352475438

Display Range		- / 95
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-10.18755 Hartree
2	-	2	-10.17788 Hartree
3	-	2	-10.16939 Hartree
4	-	2	-10.16898 Hartree
5	-	2	-10.16883 Hartree
6	-	2	-0.80824 Hartree
7	-	2	-0.73389 Hartree
8	-	2	-0.67922 Hartree
9	-	2	-0.59470 Hartree
10	-	2	-0.54032 Hartree
11	-	2	-0.46359 Hartree
12	-	2	-0.44873 Hartree
13	-	2	-0.42854 Hartree
14	-	2	-0.39080 Hartree
15	-	2	-0.38589 Hartree
16	-	2	-0.37427 Hartree
17	-	2	-0.34397 Hartree
18	-	2	-0.32419 Hartree
19	-	2	-0.31687 Hartree
20	-	2	-0.25144 Hartree
21	-	0	0.02547 Hartree
22	-	0	0.10078 Hartree
23	-	0	0.12352 Hartree
24	-	0	0.12721 Hartree
25	-	0	0.14928 Hartree
26	-	0	0.15877 Hartree
27	-	0	0.17768 Hartree
28	-	0	0.18094 Hartree
29	-	0	0.20152 Hartree
30	-	0	0.20416 Hartree
31	-	0	0.22029 Hartree
32	-	0	0.24441 Hartree
33	-	0	0.26738 Hartree
34	-	0	0.29881 Hartree
35	-	0	0.35659 Hartree
36	-	0	0.48664 Hartree
37	-	0	0.51463 Hartree
38	-	0	0.52869 Hartree
39	-	0	0.53974 Hartree
40	-	0	0.56433 Hartree
41	-	0	0.61366 Hartree
42	-	0	0.63015 Hartree
43	-	0	0.66642 Hartree
44	-	0	0.69480 Hartree
45	-	0	0.70341 Hartree
46	-	0	0.72034 Hartree
47	-	0	0.74757 Hartree
48	-	0	0.78486 Hartree
49	-	0	0.82755 Hartree
50	-	0	0.85125 Hartree
51	-	0	0.87091 Hartree
52	-	0	0.89788 Hartree
53	-	0	0.90827 Hartree
54	-	0	0.91764 Hartree
55	-	0	0.92818 Hartree
56	-	0	0.94408 Hartree
57	-	0	0.96091 Hartree
58	-	0	0.98460 Hartree
59	-	0	1.00447 Hartree
60	-	0	1.04736 Hartree
61	-	0	1.15030 Hartree
62	-	0	1.18684 Hartree
63	-	0	1.27718 Hartree
64	-	0	1.38786 Hartree
65	-	0	1.42053 Hartree
66	-	0	1.50462 Hartree
67	-	0	1.62484 Hartree
68	-	0	1.65217 Hartree
69	-	0	1.67686 Hartree
70	-	0	1.78537 Hartree
71	-	0	1.80290 Hartree
72	-	0	1.86587 Hartree
73	-	0	1.93427 Hartree
74	-	0	1.98170 Hartree
75	-	0	2.00368 Hartree
76	-	0	2.02925 Hartree
77	-	0	2.11101 Hartree
78	-	0	2.15687 Hartree
79	-	0	2.20666 Hartree
80	-	0	2.23416 Hartree
81	-	0	2.25570 Hartree
82	-	0	2.27056 Hartree
83	-	0	2.37723 Hartree
84	-	0	2.41430 Hartree
85	-	0	2.46320 Hartree
86	-	0	2.54692 Hartree
87	-	0	2.54960 Hartree
88	-	0	2.71770 Hartree
89	-	0	2.84125 Hartree
90	-	0	2.89019 Hartree
91	-	0	4.14702 Hartree
92	-	0	4.18235 Hartree
93	-	0	4.27394 Hartree
94	-	0	4.31751 Hartree
95	-	0	4.57673 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.66899
2	C	-0.27509
3	C	-0.66166
4	H	0.22755
5	H	0.22481
6	H	0.22727
7	C	-0.21643
8	C	-0.43113
9	H	0.21781
10	H	0.20736
11	H	0.22277
12	H	0.24459
13	H	0.22895
14	H	0.22369
15	H	0.22850

Display Range		- / 95
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999443864	-10.037025368 Hartree
2	C1 Val(2S)	1.097608297	-0.243790697 Hartree
3	C1 Ryd(3S)	0.000377201	1.344512084 Hartree
4	C1 Ryd(4S)	0.000012677	4.196652392 Hartree
5	C1 Val(2p)	1.141362341	-0.067651341 Hartree
6	C1 Ryd(3p)	0.001695765	0.646015620 Hartree
7	C1 Val(2p)	1.194356095	-0.070377565 Hartree
8	C1 Ryd(3p)	0.001986296	0.684009967 Hartree
9	C1 Val(2p)	1.227432135	-0.071612496 Hartree
10	C1 Ryd(3p)	0.001357904	0.657255048 Hartree
11	C1 Ryd(3d)	0.000623046	2.129537808 Hartree
12	C1 Ryd(3d)	0.000375226	1.960213741 Hartree
13	C1 Ryd(3d)	0.000416964	1.981973528 Hartree
14	C1 Ryd(3d)	0.000860091	2.069060599 Hartree
15	C1 Ryd(3d)	0.001083076	2.212660086 Hartree
16	C2 Cor(1S)	1.999243349	-10.050426772 Hartree
17	C2 Val(2S)	0.985067189	-0.211819081 Hartree
18	C2 Ryd(3S)	0.000601812	1.481002141 Hartree
19	C2 Ryd(4S)	0.000021238	4.345313725 Hartree
20	C2 Val(2p)	1.034934146	-0.064800490 Hartree
21	C2 Ryd(3p)	0.002333522	0.705285681 Hartree
22	C2 Val(2p)	1.043077693	-0.066868748 Hartree
23	C2 Ryd(3p)	0.002259580	0.705446375 Hartree
24	C2 Val(2p)	1.201160705	-0.067777264 Hartree
25	C2 Ryd(3p)	0.002623269	0.844455922 Hartree
26	C2 Ryd(3d)	0.000823111	2.198964885 Hartree
27	C2 Ryd(3d)	0.000504603	2.016793795 Hartree
28	C2 Ryd(3d)	0.000429359	2.067698052 Hartree
29	C2 Ryd(3d)	0.000700260	2.182360332 Hartree
30	C2 Ryd(3d)	0.001307307	2.253547557 Hartree
31	C3 Cor(1S)	1.999424757	-10.036347309 Hartree
32	C3 Val(2S)	1.099494838	-0.242835103 Hartree
33	C3 Ryd(3S)	0.000439640	1.323557187 Hartree
34	C3 Ryd(4S)	0.000013515	4.202809165 Hartree
35	C3 Val(2p)	1.237634353	-0.070343676 Hartree
36	C3 Ryd(3p)	0.001742326	0.714176450 Hartree
37	C3 Val(2p)	1.097472759	-0.064932001 Hartree
38	C3 Ryd(3p)	0.001643448	0.607720381 Hartree
39	C3 Val(2p)	1.219160000	-0.070297843 Hartree
40	C3 Ryd(3p)	0.001248785	0.655108372 Hartree
41	C3 Ryd(3d)	0.001027774	2.113812361 Hartree
42	C3 Ryd(3d)	0.000354042	1.943915256 Hartree
43	C3 Ryd(3d)	0.000379155	2.003525209 Hartree
44	C3 Ryd(3d)	0.000487943	2.091528285 Hartree
45	C3 Ryd(3d)	0.001138971	2.213433057 Hartree
46	H4 Val(1S)	0.771628113	0.098085430 Hartree
47	H4 Ryd(2S)	0.000826619	0.695911603 Hartree
48	H5 Val(1S)	0.773993084	0.095021550 Hartree
49	H5 Ryd(2S)	0.001196266	0.661977625 Hartree
50	H6 Val(1S)	0.771448273	0.095580817 Hartree
51	H6 Ryd(2S)	0.001281067	0.667955205 Hartree
52	C7 Cor(1S)	1.999002199	-10.029862357 Hartree
53	C7 Val(2S)	0.977504498	-0.171436434 Hartree
54	C7 Ryd(3S)	0.002265223	0.988553954 Hartree
55	C7 Ryd(4S)	0.000046211	4.224621808 Hartree
56	C7 Val(2p)	1.063185322	-0.031905522 Hartree
57	C7 Ryd(3p)	0.005387234	0.736377932 Hartree
58	C7 Val(2p)	1.124266204	-0.053213938 Hartree
59	C7 Ryd(3p)	0.003686592	0.922402380 Hartree
60	C7 Val(2p)	1.035506409	-0.074288424 Hartree
61	C7 Ryd(3p)	0.002549485	0.747674953 Hartree
62	C7 Ryd(3d)	0.000626163	2.284956955 Hartree
63	C7 Ryd(3d)	0.000745902	2.097540183 Hartree
64	C7 Ryd(3d)	0.000646223	2.107468244 Hartree
65	C7 Ryd(3d)	0.000740289	2.293213407 Hartree
66	C7 Ryd(3d)	0.000276858	2.044222654 Hartree
67	C8 Cor(1S)	1.998986806	-10.023614369 Hartree
68	C8 Val(2S)	1.044854229	-0.192547843 Hartree
69	C8 Ryd(3S)	0.000872251	1.140680829 Hartree
70	C8 Ryd(4S)	0.000018038	3.947508874 Hartree
71	C8 Val(2p)	1.159005154	-0.034488904 Hartree
72	C8 Ryd(3p)	0.003056336	0.669649988 Hartree
73	C8 Val(2p)	1.142745158	-0.053527640 Hartree
74	C8 Ryd(3p)	0.002943499	0.796389612 Hartree
75	C8 Val(2p)	1.073841885	-0.079908405 Hartree
76	C8 Ryd(3p)	0.001905820	0.694573722 Hartree
77	C8 Ryd(3d)	0.000640298	2.216478678 Hartree
78	C8 Ryd(3d)	0.000678563	2.029388496 Hartree
79	C8 Ryd(3d)	0.000645448	2.062009629 Hartree
80	C8 Ryd(3d)	0.000693036	2.216811247 Hartree
81	C8 Ryd(3d)	0.000240719	1.943423961 Hartree
82	H9 Val(1S)	0.781318347	0.092065338 Hartree
83	H9 Ryd(2S)	0.000867737	0.613517321 Hartree
84	H10 Val(1S)	0.791734230	0.084433357 Hartree
85	H10 Ryd(2S)	0.000904051	0.666685371 Hartree
86	H11 Val(1S)	0.776056762	0.095818247 Hartree
87	H11 Ryd(2S)	0.001169966	0.605092577 Hartree
88	H12 Val(1S)	0.753621702	0.112225755 Hartree
89	H12 Ryd(2S)	0.001785276	0.643146063 Hartree
90	H13 Val(1S)	0.770133710	0.096137172 Hartree
91	H13 Ryd(2S)	0.000918015	0.659172026 Hartree
92	H14 Val(1S)	0.775091929	0.090646958 Hartree
93	H14 Ryd(2S)	0.001218429	0.671533432 Hartree
94	H15 Val(1S)	0.770534630	0.095945331 Hartree
95	H15 Ryd(2S)	0.000969309	0.659415870 Hartree

Display Range		- / 95
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(27.40%)p2.65(72.56%)d0.00(0.04%)	0.988757660	-0.086783984 Hartree
2	BD(1)C2(C1) 2s(25.37%)p2.94(74.59%)d0.00(0.04%)	1.008600939	-0.095271053 Hartree
3	BD(1)C1(H13) 1s(24.13%)p3.14(75.80%)d0.00(0.06%)	1.226076423	-0.116441248 Hartree
4	BD(1)H13(C1) 13s(100.00%)	0.770133473	0.096462426 Hartree
5	BD(1)C1(H14) 1s(24.21%)p3.13(75.72%)d0.00(0.07%)	1.223611863	-0.119045464 Hartree
6	BD(1)H14(C1) 14s(100.00%)	0.775090247	0.091508543 Hartree
7	BD(1)C1(H15) 1s(24.20%)p3.13(75.74%)d0.00(0.06%)	1.226250352	-0.117024248 Hartree
8	BD(1)H15(C1) 15s(100.00%)	0.770534354	0.096294491 Hartree
9	BD(1)C2(C3) 2s(25.69%)p2.89(74.27%)d0.00(0.04%)	1.010579002	-0.096904187 Hartree
10	BD(1)C3(C2) 3s(27.18%)p2.68(72.78%)d0.00(0.04%)	0.983113008	-0.087429154 Hartree
11	BD(1)C2(C7) 2s(25.07%)p2.99(74.88%)d0.00(0.05%)	1.010825008	-0.091360448 Hartree
12	BD(1)C7(C2) 7s(31.53%)p2.17(68.43%)d0.00(0.04%)	0.990211033	-0.080527726 Hartree
13	BD(1)C2(H12) 2s(23.86%)p3.19(76.07%)d0.00(0.07%)	1.237261991	-0.114050237 Hartree
14	BD(1)H12(C2) 12s(100.00%)	0.753614007	0.114129086 Hartree
15	BD(1)C3(H4) 3s(24.37%)p3.10(75.57%)d0.00(0.06%)	1.224172688	-0.114239186 Hartree
16	BD(1)H4(C3) 4s(100.00%)	0.771627963	0.098342146 Hartree
17	BD(1)C3(H5) 3s(24.07%)p3.15(75.87%)d0.00(0.07%)	1.223073400	-0.114557916 Hartree
18	BD(1)H5(C3) 5s(100.00%)	0.773991723	0.095796503 Hartree
19	BD(1)C3(H6) 3s(24.33%)p3.11(75.61%)d0.00(0.06%)	1.227197978	-0.117982933 Hartree
20	BD(1)H6(C3) 6s(100.00%)	0.771446645	0.096429632 Hartree
21	BD(1)C7(C8) 7s(38.46%)p1.60(61.50%)d0.00(0.04%)	1.010860895	-0.017630003 Hartree
22	BD(1)C8(C7) 8s(39.37%)p1.54(60.59%)d0.00(0.04%)	0.987882708	0.001763301 Hartree
23	BD(2)C7(C8) 7s(0.28%)p99.99(99.65%)d0.28(0.08%)	0.982819727	-0.090331370 Hartree
24	BD(2)C8(C7) 8s(0.34%)p99.99(99.59%)d0.22(0.07%)	1.021785497	-0.099960262 Hartree
25	BD(1)C7(H11) 7s(29.70%)p2.37(70.24%)d0.00(0.06%)	1.222521359	-0.124929222 Hartree
26	BD(1)H11(C7) 11s(100.00%)	0.776052993	0.097026657 Hartree
27	BD(1)C8(H9) 8s(30.07%)p2.32(69.87%)d0.00(0.06%)	1.212675468	-0.118364694 Hartree
28	BD(1)H9(C8) 9s(100.00%)	0.781316789	0.092854570 Hartree
29	BD(1)C8(H10) 8s(30.22%)p2.31(69.72%)d0.00(0.06%)	1.204425782	-0.119227802 Hartree
30	BD(1)H10(C8) 10s(100.00%)	0.791730492	0.085640309 Hartree
31	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999444780	-10.036772171 Hartree
32	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999242896	-10.050314712 Hartree
33	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999425572	-10.036070591 Hartree
34	CR(1)C7 s(100.00%)p0.00(0.00%)	1.999006348	-10.030099509 Hartree
35	CR(1)C8 s(100.00%)p0.00(0.00%)	1.998996511	-10.024003333 Hartree
36	RY*(1)C1 s(0.64%)p99.99(86.38%)d20.23(12.98%)	0.002371035	0.939263297 Hartree
37	RY*(2)C1 s(6.16%)p13.14(80.99%)d2.08(12.85%)	0.001915223	0.946360649 Hartree
38	RY*(3)C1 s(43.83%)p1.12(49.18%)d0.16(6.99%)	0.000381208	1.046470810 Hartree
39	RY*(4)C1 s(43.94%)p1.15(50.50%)d0.13(5.57%)	0.000133253	1.133338732 Hartree
40	RY*(5)C1 s(1.20%)p1.70(2.04%)d80.47(96.75%)	0.000018193	2.165347921 Hartree
41	RY*(6)C1 s(96.82%)p0.02(1.90%)d0.01(1.28%)	0.000000547	3.958843175 Hartree
42	RY*(7)C1 s(3.07%)p2.51(7.70%)d29.05(89.23%)	0.000004424	1.830357955 Hartree
43	RY*(8)C1 s(1.07%)p2.78(2.98%)d89.49(95.94%)	0.000006865	1.941554044 Hartree
44	RY*(9)C1 s(0.05%)p99.99(11.20%)d99.99(88.75%)	0.000008964	1.897678086 Hartree
45	RY*(10)C1 s(3.26%)p2.24(7.30%)d27.40(89.44%)	0.000010190	2.008285851 Hartree
46	RY*(1)C2 s(3.80%)p23.82(90.60%)d1.47(5.59%)	0.004130609	0.956779772 Hartree
47	RY*(2)C2 s(1.87%)p43.32(81.15%)d9.07(16.98%)	0.001925837	1.075925999 Hartree
48	RY*(3)C2 s(3.33%)p25.30(84.23%)d3.74(12.44%)	0.001234655	0.892192738 Hartree
49	RY*(4)C2 s(6.48%)p0.82(5.31%)d13.62(88.21%)	0.000423303	1.855969016 Hartree
50	RY*(5)C2 s(0.22%)p16.27(3.60%)d99.99(96.18%)	0.000362673	2.039626255 Hartree
51	RY*(6)C2 s(7.77%)p1.11(8.62%)d10.76(83.61%)	0.000185346	1.938767125 Hartree
52	RY*(7)C2 s(66.90%)p0.15(10.10%)d0.34(23.00%)	0.000163802	1.557324582 Hartree
53	RY*(8)C2 s(2.22%)p1.86(4.13%)d42.16(93.64%)	0.000098413	2.169369043 Hartree
54	RY*(9)C2 s(27.56%)p0.33(9.06%)d2.30(63.38%)	0.000044512	2.552738049 Hartree
55	RY*(10)C2 s(79.85%)p0.04(3.39%)d0.21(16.76%)	0.000008157	3.748384166 Hartree
56	RY*(1)C3 s(7.34%)p10.88(79.90%)d1.74(12.76%)	0.002132328	0.956631376 Hartree
57	RY*(2)C3 s(0.65%)p99.99(87.79%)d17.69(11.55%)	0.001820465	0.900997936 Hartree
58	RY*(3)C3 s(47.52%)p0.93(44.41%)d0.17(8.08%)	0.000405315	1.073190617 Hartree
59	RY*(4)C3 s(25.12%)p1.54(38.64%)d1.44(36.24%)	0.000166425	1.371343635 Hartree
60	RY*(5)C3 s(16.04%)p1.81(29.04%)d3.42(54.92%)	0.000118963	1.597326872 Hartree
61	RY*(6)C3 s(1.91%)p1.10(2.10%)d50.22(95.99%)	0.000020538	2.172224474 Hartree
62	RY*(7)C3 s(0.04%)p16.43(0.63%)d99.99(99.33%)	0.000008644	1.931127422 Hartree
63	RY*(8)C3 s(2.53%)p3.72(9.40%)d34.84(88.08%)	0.000004286	1.860549423 Hartree
64	RY*(9)C3 s(97.31%)p0.02(1.83%)d0.01(0.86%)	0.000000408	3.989488845 Hartree
65	RY*(10)C3 s(1.59%)p4.06(6.44%)d57.98(91.98%)	0.000002289	2.002228972 Hartree
66	RY*(1)H4 s(100.00%)	0.000826769	0.695654888 Hartree
67	RY*(1)H5 s(100.00%)	0.001197627	0.661202671 Hartree
68	RY*(1)H6 s(100.00%)	0.001282696	0.667106390 Hartree
69	RY*(1)C7 s(0.44%)p99.99(91.42%)d18.38(8.14%)	0.004039487	1.138748976 Hartree
70	RY*(2)C7 s(2.07%)p45.23(93.82%)d1.98(4.10%)	0.003356939	0.837606113 Hartree
71	RY*(3)C7 s(17.08%)p4.28(73.03%)d0.58(9.89%)	0.002551705	0.818096641 Hartree
72	RY*(4)C7 s(77.77%)p0.21(16.04%)d0.08(6.19%)	0.000875151	1.030264637 Hartree
73	RY*(5)C7 s(15.99%)p0.08(1.22%)d5.18(82.80%)	0.000121083	2.558524784 Hartree
74	RY*(6)C7 s(6.01%)p0.19(1.12%)d15.45(92.87%)	0.000025019	2.328510026 Hartree
75	RY*(7)C7 s(11.04%)p0.72(7.90%)d7.35(81.06%)	0.000023275	2.369921686 Hartree
76	RY*(8)C7 s(69.09%)p0.04(2.48%)d0.41(28.42%)	0.000004511	3.630771730 Hartree
77	RY*(9)C7 s(0.53%)p21.85(11.62%)d99.99(87.85%)	0.000007338	1.861547514 Hartree
78	RY*(10)C7 s(0.00%)p1.00(1.53%)d64.34(98.46%)	0.000010944	1.855851518 Hartree
79	RY*(1)C8 s(0.14%)p99.99(90.77%)d63.09(9.09%)	0.003681910	1.190025140 Hartree
80	RY*(2)C8 s(21.52%)p3.64(78.34%)d0.01(0.14%)	0.001418052	0.692743107 Hartree
81	RY*(3)C8 s(9.20%)p8.84(81.37%)d1.02(9.42%)	0.000187732	0.785598706 Hartree
82	RY*(4)C8 s(51.47%)p0.36(18.54%)d0.58(29.98%)	0.000043374	1.419091715 Hartree
83	RY*(5)C8 s(88.76%)p0.04(3.37%)d0.09(7.87%)	0.000002315	3.855712570 Hartree
84	RY*(6)C8 s(0.03%)p99.99(4.20%)d99.99(95.77%)	0.000004638	2.141939627 Hartree
85	RY*(7)C8 s(0.21%)p29.08(6.24%)d99.99(93.55%)	0.000004592	1.951951894 Hartree
86	RY*(8)C8 s(17.90%)p0.47(8.34%)d4.12(73.76%)	0.000007821	1.855185399 Hartree
87	RY*(9)C8 s(10.19%)p0.69(7.07%)d8.12(82.73%)	0.000004795	1.888030635 Hartree
88	RY*(10)C8 s(0.55%)p3.61(1.99%)d99.99(97.47%)	0.000006047	1.912341871 Hartree
89	RY*(1)H9 s(100.00%)	0.000869295	0.612728089 Hartree
90	RY*(1)H10 s(100.00%)	0.000907788	0.665478418 Hartree
91	RY*(1)H11 s(100.00%)	0.001173735	0.603884166 Hartree
92	RY*(1)H12 s(100.00%)	0.001792971	0.641242732 Hartree
93	RY*(1)H13 s(100.00%)	0.000918253	0.658846772 Hartree
94	RY*(1)H14 s(100.00%)	0.001220110	0.670671847 Hartree
95	RY*(1)H15 s(100.00%)	0.000969584	0.659066710 Hartree

Display Range		- / 95
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	12564, 12565	1.985611662	-0.569979171 Hartree
2	BD(1)C1-H13	12566, 12567	1.990490711	-0.488735090 Hartree
3	BD(1)C1-H14	12568, 12569	1.990907314	-0.490346991 Hartree
4	BD(1)C1-H15	12570, 12571	1.991050096	-0.488898661 Hartree
5	BD(1)C2-C3	12572, 12573	1.978979310	-0.569969208 Hartree
6	BD(1)C2-C7	12574, 12575	1.974342908	-0.576751762 Hartree
7	BD(1)C2-H12	12576, 12577	1.971786267	-0.483551860 Hartree
8	BD(1)C3-H4	12578, 12579	1.989445520	-0.488454459 Hartree
9	BD(1)C3-H5	12580, 12581	1.989339569	-0.487864380 Hartree
10	BD(1)C3-H6	12582, 12583	1.990996531	-0.487959544 Hartree
11	BD(1)C7-C8	12584, 12585	1.989851019	-0.735951781 Hartree
12	BD(2)C7-C8	12586, 12587	1.986617514	-0.265085218 Hartree
13	BD(1)C7-H11	12588, 12589	1.981443888	-0.509154315 Hartree
14	BD(1)C8-H9	12590, 12591	1.985027467	-0.505845612 Hartree
15	BD(1)C8-H10	12592, 12593	1.984267104	-0.508843460 Hartree
16	CR(1)C1	12594	1.999444780	-10.036772171 Hartree
17	CR(1)C2	12595	1.999242896	-10.050314712 Hartree
18	CR(1)C3	12596	1.999425572	-10.036070591 Hartree
19	CR(1)C7	12597	1.999006348	-10.030099509 Hartree
20	CR(1)C8	12598	1.998996511	-10.024003333 Hartree
21	RY*(1)C1	12599	0.002371035	0.939263297 Hartree
22	RY*(2)C1	12600	0.001915223	0.946360649 Hartree
23	RY*(3)C1	12601	0.000381208	1.046470810 Hartree
24	RY*(4)C1	12602	0.000133253	1.133338732 Hartree
25	RY*(5)C1	12603	0.000018193	2.165347921 Hartree
26	RY*(6)C1	12604	0.000000547	3.958843175 Hartree
27	RY*(7)C1	12605	0.000004424	1.830357955 Hartree
28	RY*(8)C1	12606	0.000006865	1.941554044 Hartree
29	RY*(9)C1	12607	0.000008964	1.897678086 Hartree
30	RY*(10)C1	12608	0.000010190	2.008285851 Hartree
31	RY*(1)C2	12609	0.004130609	0.956779772 Hartree
32	RY*(2)C2	12610	0.001925837	1.075925999 Hartree
33	RY*(3)C2	12611	0.001234655	0.892192738 Hartree
34	RY*(4)C2	12612	0.000423303	1.855969016 Hartree
35	RY*(5)C2	12613	0.000362673	2.039626255 Hartree
36	RY*(6)C2	12614	0.000185346	1.938767125 Hartree
37	RY*(7)C2	12615	0.000163802	1.557324582 Hartree
38	RY*(8)C2	12616	0.000098413	2.169369043 Hartree
39	RY*(9)C2	12617	0.000044512	2.552738049 Hartree
40	RY*(10)C2	12618	0.000008157	3.748384166 Hartree
41	RY*(1)C3	12619	0.002132328	0.956631376 Hartree
42	RY*(2)C3	12620	0.001820465	0.900997936 Hartree
43	RY*(3)C3	12621	0.000405315	1.073190617 Hartree
44	RY*(4)C3	12622	0.000166425	1.371343635 Hartree
45	RY*(5)C3	12623	0.000118963	1.597326872 Hartree
46	RY*(6)C3	12624	0.000020538	2.172224474 Hartree
47	RY*(7)C3	12625	0.000008644	1.931127422 Hartree
48	RY*(8)C3	12626	0.000004286	1.860549423 Hartree
49	RY*(9)C3	12627	0.000000408	3.989488845 Hartree
50	RY*(10)C3	12628	0.000002289	2.002228972 Hartree
51	RY*(1)H4	12629	0.000826769	0.695654888 Hartree
52	RY*(1)H5	12630	0.001197627	0.661202671 Hartree
53	RY*(1)H6	12631	0.001282696	0.667106390 Hartree
54	RY*(1)C7	12632	0.004039487	1.138748976 Hartree
55	RY*(2)C7	12633	0.003356939	0.837606113 Hartree
56	RY*(3)C7	12634	0.002551705	0.818096641 Hartree
57	RY*(4)C7	12635	0.000875151	1.030264637 Hartree
58	RY*(5)C7	12636	0.000121083	2.558524784 Hartree
59	RY*(6)C7	12637	0.000025019	2.328510026 Hartree
60	RY*(7)C7	12638	0.000023275	2.369921686 Hartree
61	RY*(8)C7	12639	0.000004511	3.630771730 Hartree
62	RY*(9)C7	12640	0.000007338	1.861547514 Hartree
63	RY*(10)C7	12641	0.000010944	1.855851518 Hartree
64	RY*(1)C8	12642	0.003681910	1.190025140 Hartree
65	RY*(2)C8	12643	0.001418052	0.692743107 Hartree
66	RY*(3)C8	12644	0.000187732	0.785598706 Hartree
67	RY*(4)C8	12645	0.000043374	1.419091715 Hartree
68	RY*(5)C8	12646	0.000002315	3.855712570 Hartree
69	RY*(6)C8	12647	0.000004638	2.141939627 Hartree
70	RY*(7)C8	12648	0.000004592	1.951951894 Hartree
71	RY*(8)C8	12649	0.000007821	1.855185399 Hartree
72	RY*(9)C8	12650	0.000004795	1.888030635 Hartree
73	RY*(10)C8	12651	0.000006047	1.912341871 Hartree
74	RY*(1)H9	12652	0.000869295	0.612728089 Hartree
75	RY*(1)H10	12653	0.000907788	0.665478418 Hartree
76	RY*(1)H11	12654	0.001173735	0.603884166 Hartree
77	RY*(1)H12	12655	0.001792971	0.641242732 Hartree
78	RY*(1)H13	12656	0.000918253	0.658846772 Hartree
79	RY*(1)H14	12657	0.001220110	0.670671847 Hartree
80	RY*(1)H15	12658	0.000969584	0.659066710 Hartree
81	BD*(1)C1-C2		0.011746936	0.387924134 Hartree
82	BD*(1)C1-H13		0.005719185	0.468756269 Hartree
83	BD*(1)C1-H14		0.007794796	0.462810070 Hartree
84	BD*(1)C1-H15		0.005734611	0.468168904 Hartree
85	BD*(1)C2-C3		0.014712699	0.385635867 Hartree
86	BD*(1)C2-C7		0.026693131	0.404863588 Hartree
87	BD*(1)C2-H12		0.019089731	0.483630709 Hartree
88	BD*(1)C3-H4		0.006355130	0.472557418 Hartree
89	BD*(1)C3-H5		0.007725554	0.469102968 Hartree
90	BD*(1)C3-H6		0.007648091	0.466406243 Hartree
91	BD*(1)C7-C8		0.008892583	0.720085079 Hartree
92	BD*(2)C7-C8		0.017987710	0.074793586 Hartree
93	BD*(1)C7-H11		0.017130463	0.481251750 Hartree
94	BD*(1)C8-H9		0.008964791	0.480335488 Hartree
95	BD*(1)C8-H10		0.011889169	0.475255968 Hartree

THEORY: SUPPOSITION WHICH HAS SCIENTIFIC BASIS, BUT NOT EXPERIMENTALLY PROVEN. FACT: A THEORY WHICH HAS BEEN PROVEN BY ENOUGH MONEY TO PAY FOR THE EXPERIMENTS. -- THE WIZARD OF ID