WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C7H10
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-272.730900897 Hartree
Dipole Moment	0.6323 Debye
Server	batch (377329)
CPU time	28.8 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	3.3976867	0.11333462899
b	3.2812580	0.10945098559
c	1.7804448	0.05938924588

Atom	Symbol	Charge
1	C	-0.296477
2	C	-0.117881
3	C	-0.121664
4	C	-0.121664
5	C	-0.117881
6	C	-0.296477
7	C	-0.263426
8	H	0.147489
9	H	0.130066
10	H	0.139483
11	H	0.149400
12	H	0.122404
13	H	0.117670
14	H	0.117670
15	H	0.122404
16	H	0.139483
17	H	0.149400

Display Range		- / 125
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-10.18431 Hartree
2	-	2	-10.18431 Hartree
3	-	2	-10.18120 Hartree
4	-	2	-10.18113 Hartree
5	-	2	-10.18113 Hartree
6	-	2	-10.17839 Hartree
7	-	2	-10.17807 Hartree
8	-	2	-0.82040 Hartree
9	-	2	-0.75732 Hartree
10	-	2	-0.75629 Hartree
11	-	2	-0.65602 Hartree
12	-	2	-0.63202 Hartree
13	-	2	-0.54699 Hartree
14	-	2	-0.49294 Hartree
15	-	2	-0.48872 Hartree
16	-	2	-0.45561 Hartree
17	-	2	-0.42340 Hartree
18	-	2	-0.41270 Hartree
19	-	2	-0.40888 Hartree
20	-	2	-0.37398 Hartree
21	-	2	-0.34551 Hartree
22	-	2	-0.34325 Hartree
23	-	2	-0.32127 Hartree
24	-	2	-0.31124 Hartree
25	-	2	-0.29269 Hartree
26	-	2	-0.20835 Hartree
27	-	0	-0.01889 Hartree
28	-	0	0.08133 Hartree
29	-	0	0.10530 Hartree
30	-	0	0.12376 Hartree
31	-	0	0.12997 Hartree
32	-	0	0.14528 Hartree
33	-	0	0.16209 Hartree
34	-	0	0.16297 Hartree
35	-	0	0.18091 Hartree
36	-	0	0.19684 Hartree
37	-	0	0.20987 Hartree
38	-	0	0.21001 Hartree
39	-	0	0.21952 Hartree
40	-	0	0.23462 Hartree
41	-	0	0.29070 Hartree
42	-	0	0.29167 Hartree
43	-	0	0.38279 Hartree
44	-	0	0.38526 Hartree
45	-	0	0.47941 Hartree
46	-	0	0.48366 Hartree
47	-	0	0.52108 Hartree
48	-	0	0.53056 Hartree
49	-	0	0.57868 Hartree
50	-	0	0.58176 Hartree
51	-	0	0.59528 Hartree
52	-	0	0.60933 Hartree
53	-	0	0.61126 Hartree
54	-	0	0.63268 Hartree
55	-	0	0.65373 Hartree
56	-	0	0.66010 Hartree
57	-	0	0.68253 Hartree
58	-	0	0.70149 Hartree
59	-	0	0.72530 Hartree
60	-	0	0.75030 Hartree
61	-	0	0.79823 Hartree
62	-	0	0.84389 Hartree
63	-	0	0.85961 Hartree
64	-	0	0.86065 Hartree
65	-	0	0.86961 Hartree
66	-	0	0.87982 Hartree
67	-	0	0.89542 Hartree
68	-	0	0.89674 Hartree
69	-	0	0.91325 Hartree
70	-	0	0.92897 Hartree
71	-	0	0.94648 Hartree
72	-	0	0.97228 Hartree
73	-	0	0.98077 Hartree
74	-	0	1.00715 Hartree
75	-	0	1.08202 Hartree
76	-	0	1.08268 Hartree
77	-	0	1.09177 Hartree
78	-	0	1.19576 Hartree
79	-	0	1.20009 Hartree
80	-	0	1.30611 Hartree
81	-	0	1.37630 Hartree
82	-	0	1.45603 Hartree
83	-	0	1.49737 Hartree
84	-	0	1.51295 Hartree
85	-	0	1.51591 Hartree
86	-	0	1.59739 Hartree
87	-	0	1.62254 Hartree
88	-	0	1.66462 Hartree
89	-	0	1.72469 Hartree
90	-	0	1.77318 Hartree
91	-	0	1.80292 Hartree
92	-	0	1.85225 Hartree
93	-	0	1.88972 Hartree
94	-	0	1.92314 Hartree
95	-	0	1.93143 Hartree
96	-	0	1.97810 Hartree
97	-	0	1.99982 Hartree
98	-	0	2.01500 Hartree
99	-	0	2.07611 Hartree
100	-	0	2.16007 Hartree
101	-	0	2.16070 Hartree
102	-	0	2.18862 Hartree
103	-	0	2.19812 Hartree
104	-	0	2.30133 Hartree
105	-	0	2.33530 Hartree
106	-	0	2.35272 Hartree
107	-	0	2.36201 Hartree
108	-	0	2.37985 Hartree
109	-	0	2.47115 Hartree
110	-	0	2.53703 Hartree
111	-	0	2.59867 Hartree
112	-	0	2.60476 Hartree
113	-	0	2.62843 Hartree
114	-	0	2.70529 Hartree
115	-	0	2.75844 Hartree
116	-	0	2.84394 Hartree
117	-	0	2.94854 Hartree
118	-	0	3.21459 Hartree
119	-	0	4.06978 Hartree
120	-	0	4.16755 Hartree
121	-	0	4.16943 Hartree
122	-	0	4.30058 Hartree
123	-	0	4.38234 Hartree
124	-	0	4.53044 Hartree
125	-	0	4.66176 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.49800
2	C	-0.19202
3	C	-0.27050
4	C	-0.27050
5	C	-0.19202
6	C	-0.49800
7	C	-0.45662
8	H	0.23921
9	H	0.23908
10	H	0.24661
11	H	0.24552
12	H	0.22579
13	H	0.23177
14	H	0.23177
15	H	0.22579
16	H	0.24661
17	H	0.24552

Display Range		- / 125
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999994104	-10.184259794 Hartree
2	C1 Val(2s)	1.041811685	-0.154811859 Hartree
3	C1 Ryd(3s)	0.000671048	1.414716202 Hartree
4	C1 Ryd(4s)	0.000040331	4.351289526 Hartree
5	C1 Val(2p)	1.135255093	-0.059042181 Hartree
6	C1 Ryd(3p)	0.003584324	0.762929751 Hartree
7	C1 Val(2p)	1.096331588	-0.045828383 Hartree
8	C1 Ryd(3p)	0.001479415	0.638715828 Hartree
9	C1 Val(2p)	1.213045974	-0.075006648 Hartree
10	C1 Ryd(3p)	0.001665770	0.775510061 Hartree
11	C1 Ryd(3d)	0.000810173	2.122872200 Hartree
12	C1 Ryd(3d)	0.000601904	2.070418222 Hartree
13	C1 Ryd(3d)	0.000641664	1.966242764 Hartree
14	C1 Ryd(3d)	0.000780209	2.215221885 Hartree
15	C1 Ryd(3d)	0.001288861	2.171593408 Hartree
16	C2 Cor(1s)	1.999996450	-10.181054326 Hartree
17	C2 Val(2s)	0.970720828	-0.090930391 Hartree
18	C2 Ryd(3s)	0.000935328	1.072372262 Hartree
19	C2 Ryd(4s)	0.000065703	4.198536505 Hartree
20	C2 Val(2p)	1.178947396	-0.023197960 Hartree
21	C2 Ryd(3p)	0.004204933	0.980299618 Hartree
22	C2 Val(2p)	1.040851994	0.020227429 Hartree
23	C2 Ryd(3p)	0.003218062	0.781464562 Hartree
24	C2 Val(2p)	0.987200539	-0.087978560 Hartree
25	C2 Ryd(3p)	0.002349935	0.645108454 Hartree
26	C2 Ryd(3d)	0.000911447	2.343191115 Hartree
27	C2 Ryd(3d)	0.000273822	1.839283895 Hartree
28	C2 Ryd(3d)	0.000551144	1.991534229 Hartree
29	C2 Ryd(3d)	0.001046787	2.343822615 Hartree
30	C2 Ryd(3d)	0.000749018	2.184892464 Hartree
31	C3 Cor(1s)	1.999996360	-10.178260511 Hartree
32	C3 Val(2s)	0.966865059	-0.079777783 Hartree
33	C3 Ryd(3s)	0.000815263	1.176655496 Hartree
34	C3 Ryd(4s)	0.000051258	4.089525587 Hartree
35	C3 Val(2p)	1.075094052	0.016791713 Hartree
36	C3 Ryd(3p)	0.003721263	0.827545628 Hartree
37	C3 Val(2p)	1.183199750	-0.023749192 Hartree
38	C3 Ryd(3p)	0.005402588	1.042432472 Hartree
39	C3 Val(2p)	1.031119272	-0.087093638 Hartree
40	C3 Ryd(3p)	0.000735401	0.650329506 Hartree
41	C3 Ryd(3d)	0.000938255	2.397182392 Hartree
42	C3 Ryd(3d)	0.000554845	1.937751244 Hartree
43	C3 Ryd(3d)	0.000367647	1.859564411 Hartree
44	C3 Ryd(3d)	0.000909038	2.363291171 Hartree
45	C3 Ryd(3d)	0.000725653	2.207061743 Hartree
46	C4 Cor(1s)	1.999996360	-10.178260500 Hartree
47	C4 Val(2s)	0.966865051	-0.079777778 Hartree
48	C4 Ryd(3s)	0.000815263	1.176655437 Hartree
49	C4 Ryd(4s)	0.000051258	4.089525623 Hartree
50	C4 Val(2p)	1.075093990	0.016791759 Hartree
51	C4 Ryd(3p)	0.003721263	0.827545348 Hartree
52	C4 Val(2p)	1.183199820	-0.023749238 Hartree
53	C4 Ryd(3p)	0.005402589	1.042432757 Hartree
54	C4 Val(2p)	1.031119361	-0.087093639 Hartree
55	C4 Ryd(3p)	0.000735402	0.650329506 Hartree
56	C4 Ryd(3d)	0.000938254	2.397182254 Hartree
57	C4 Ryd(3d)	0.000554845	1.937751428 Hartree
58	C4 Ryd(3d)	0.000367647	1.859564222 Hartree
59	C4 Ryd(3d)	0.000909039	2.363291319 Hartree
60	C4 Ryd(3d)	0.000725653	2.207061746 Hartree
61	C5 Cor(1s)	1.999996450	-10.181054331 Hartree
62	C5 Val(2s)	0.970720834	-0.090930400 Hartree
63	C5 Ryd(3s)	0.000935328	1.072372226 Hartree
64	C5 Ryd(4s)	0.000065703	4.198536502 Hartree
65	C5 Val(2p)	1.178947373	-0.023197930 Hartree
66	C5 Ryd(3p)	0.004204931	0.980299186 Hartree
67	C5 Val(2p)	1.040852016	0.020227394 Hartree
68	C5 Ryd(3p)	0.003218063	0.781464866 Hartree
69	C5 Val(2p)	0.987200440	-0.087978571 Hartree
70	C5 Ryd(3p)	0.002349933	0.645108407 Hartree
71	C5 Ryd(3d)	0.000911448	2.343191250 Hartree
72	C5 Ryd(3d)	0.000273823	1.839283990 Hartree
73	C5 Ryd(3d)	0.000551144	1.991534127 Hartree
74	C5 Ryd(3d)	0.001046786	2.343822477 Hartree
75	C5 Ryd(3d)	0.000749018	2.184892461 Hartree
76	C6 Cor(1s)	1.999994104	-10.184259806 Hartree
77	C6 Val(2s)	1.041811678	-0.154811879 Hartree
78	C6 Ryd(3s)	0.000671049	1.414716150 Hartree
79	C6 Ryd(4s)	0.000040331	4.351289519 Hartree
80	C6 Val(2p)	1.135255229	-0.059042230 Hartree
81	C6 Ryd(3p)	0.003584322	0.762929544 Hartree
82	C6 Val(2p)	1.096331435	-0.045828375 Hartree
83	C6 Ryd(3p)	0.001479416	0.638715763 Hartree
84	C6 Val(2p)	1.213046045	-0.075006658 Hartree
85	C6 Ryd(3p)	0.001665772	0.775510250 Hartree
86	C6 Ryd(3d)	0.000810172	2.122871986 Hartree
87	C6 Ryd(3d)	0.000601904	2.070418273 Hartree
88	C6 Ryd(3d)	0.000641663	1.966242370 Hartree
89	C6 Ryd(3d)	0.000780210	2.215222085 Hartree
90	C6 Ryd(3d)	0.001288862	2.171593646 Hartree
91	C7 Cor(1s)	1.999994313	-10.181162997 Hartree
92	C7 Val(2s)	1.037957576	-0.155093780 Hartree
93	C7 Ryd(3s)	0.000610778	1.386870824 Hartree
94	C7 Ryd(4s)	0.000038271	4.317342608 Hartree
95	C7 Val(2p)	1.020543806	-0.031468050 Hartree
96	C7 Ryd(3p)	0.001163454	0.636496174 Hartree
97	C7 Val(2p)	1.203200567	-0.072314711 Hartree
98	C7 Ryd(3p)	0.003668940	0.832635130 Hartree
99	C7 Val(2p)	1.183698708	-0.065458270 Hartree
100	C7 Ryd(3p)	0.001735003	0.726712355 Hartree
101	C7 Ryd(3d)	0.000438122	2.024965306 Hartree
102	C7 Ryd(3d)	0.000553180	2.111316614 Hartree
103	C7 Ryd(3d)	0.000324904	1.935861277 Hartree
104	C7 Ryd(3d)	0.001253015	2.227744371 Hartree
105	C7 Ryd(3d)	0.001440303	2.175730168 Hartree
106	H8 Val(1s)	0.759102737	0.112845772 Hartree
107	H8 Ryd(2s)	0.001683644	0.673427804 Hartree
108	H9 Val(1s)	0.759593834	0.106590172 Hartree
109	H9 Ryd(2s)	0.001326755	0.668153965 Hartree
110	H10 Val(1s)	0.752103509	0.103310885 Hartree
111	H10 Ryd(2s)	0.001283748	0.669846176 Hartree
112	H11 Val(1s)	0.752921369	0.098778772 Hartree
113	H11 Ryd(2s)	0.001558380	0.680807811 Hartree
114	H12 Val(1s)	0.773131036	0.109924521 Hartree
115	H12 Ryd(2s)	0.001082073	0.618338155 Hartree
116	H13 Val(1s)	0.767030689	0.112476242 Hartree
117	H13 Ryd(2s)	0.001203963	0.617150355 Hartree
118	H14 Val(1s)	0.767030688	0.112476238 Hartree
119	H14 Ryd(2s)	0.001203963	0.617150350 Hartree
120	H15 Val(1s)	0.773131032	0.109924529 Hartree
121	H15 Ryd(2s)	0.001082073	0.618338161 Hartree
122	H16 Val(1s)	0.752103531	0.103310891 Hartree
123	H16 Ryd(2s)	0.001283747	0.669846163 Hartree
124	H17 Val(1s)	0.752921397	0.098778774 Hartree
125	H17 Ryd(2s)	0.001558381	0.680807964 Hartree

Display Range		- / 125
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999994104	-10.184259794 Hartree
2	CR(1)C2 s(100.00%)	1.999996450	-10.181054326 Hartree
3	CR(1)C3 s(100.00%)	1.999996360	-10.178260511 Hartree
4	CR(1)C4 s(100.00%)	1.999996360	-10.178260500 Hartree
5	CR(1)C5 s(100.00%)	1.999996450	-10.181054331 Hartree
6	CR(1)C6 s(100.00%)	1.999994104	-10.184259806 Hartree
7	CR(1)C7 s(100.00%)	1.999994313	-10.181162997 Hartree
8	BD(1)C1(C2) 1s(27.88%)p2.59(72.07%)d0.00(0.06%)	1.017053699	-0.046537458 Hartree
9	BD(1)C2(C1) 2s(33.35%)p2.00(66.59%)d0.00(0.06%)	0.986304488	-0.031609123 Hartree
10	BD(1)C1(C7) 1s(27.93%)p2.58(72.03%)d0.00(0.04%)	1.008579658	-0.056770340 Hartree
11	BD(1)C7(C1) 7s(27.28%)p2.66(72.67%)d0.00(0.05%)	0.992093308	-0.052316343 Hartree
12	BD(1)C1(H16) 1s(22.09%)p3.52(77.83%)d0.00(0.09%)	1.233290966	-0.105073555 Hartree
13	BD(1)H16(C1) 16s(100.00%)	0.752101996	0.104146890 Hartree
14	BD(1)C1(H17) 1s(22.12%)p3.52(77.79%)d0.00(0.08%)	1.232096706	-0.109110880 Hartree
15	BD(1)H17(C1) 17s(100.00%)	0.752914048	0.100600794 Hartree
16	BD(1)C2(C3) 2s(38.96%)p1.56(60.97%)d0.00(0.07%)	0.992516684	0.048328092 Hartree
17	BD(1)C3(C2) 3s(39.03%)p1.56(60.91%)d0.00(0.06%)	1.007435800	0.037883576 Hartree
18	BD(2)C2(C3) 2s(0.01%)p99.99(99.92%)d6.09(0.07%)	0.986643891	-0.090497607 Hartree
19	BD(2)C3(C2) 3s(0.01%)p1.00(99.94%)d0.00(0.05%)	1.029545606	-0.088998845 Hartree
20	BD(1)C2(H15) 2s(27.63%)p2.62(72.29%)d0.00(0.09%)	1.217539792	-0.091022917 Hartree
21	BD(1)H15(C2) 15s(100.00%)	0.773128823	0.110865460 Hartree
22	BD(1)C3(C4) 3s(34.06%)p1.93(65.88%)d0.00(0.06%)	1.001991973	-0.014812933 Hartree
23	BD(1)C4(C3) 4s(34.06%)p1.93(65.88%)d0.00(0.06%)	1.001991971	-0.014812932 Hartree
24	BD(1)C3(H14) 3s(26.88%)p2.72(73.04%)d0.00(0.08%)	1.222304293	-0.090564029 Hartree
25	BD(1)H14(C3) 14s(100.00%)	0.767029147	0.113256137 Hartree
26	BD(1)C4(C5) 4s(39.03%)p1.56(60.91%)d0.00(0.06%)	1.007435799	0.037883575 Hartree
27	BD(1)C5(C4) 5s(38.96%)p1.56(60.97%)d0.00(0.07%)	0.992516685	0.048328089 Hartree
28	BD(2)C4(C5) 4s(0.01%)p1.00(99.94%)d0.00(0.05%)	1.029545699	-0.088998845 Hartree
29	BD(2)C5(C4) 5s(0.01%)p99.99(99.92%)d6.09(0.07%)	0.986643799	-0.090497617 Hartree
30	BD(1)C4(H13) 4s(26.88%)p2.72(73.04%)d0.00(0.08%)	1.222304292	-0.090564025 Hartree
31	BD(1)H13(C4) 13s(100.00%)	0.767029148	0.113256140 Hartree
32	BD(1)C5(C6) 5s(33.35%)p2.00(66.59%)d0.00(0.06%)	0.986304488	-0.031609131 Hartree
33	BD(1)C6(C5) 6s(27.88%)p2.59(72.07%)d0.00(0.06%)	1.017053698	-0.046537456 Hartree
34	BD(1)C5(H12) 5s(27.63%)p2.62(72.29%)d0.00(0.09%)	1.217539788	-0.091022922 Hartree
35	BD(1)H12(C5) 12s(100.00%)	0.773128828	0.110865452 Hartree
36	BD(1)C6(C7) 6s(27.93%)p2.58(72.03%)d0.00(0.04%)	1.008579704	-0.056770394 Hartree
37	BD(1)C7(C6) 7s(27.28%)p2.66(72.67%)d0.00(0.05%)	0.992093271	-0.052316342 Hartree
38	BD(1)C6(H10) 6s(22.09%)p3.52(77.83%)d0.00(0.09%)	1.233290964	-0.105073549 Hartree
39	BD(1)H10(C6) 10s(100.00%)	0.752101975	0.104146884 Hartree
40	BD(1)C6(H11) 6s(22.12%)p3.52(77.79%)d0.00(0.08%)	1.232096708	-0.109110903 Hartree
41	BD(1)H11(C6) 11s(100.00%)	0.752914020	0.100600790 Hartree
42	BD(1)C7(H8) 7s(22.82%)p3.38(77.09%)d0.00(0.09%)	1.236467554	-0.102280460 Hartree
43	BD(1)H8(C7) 8s(100.00%)	0.759096440	0.114532350 Hartree
44	BD(1)C7(H9) 7s(22.61%)p3.42(77.30%)d0.00(0.09%)	1.229473050	-0.100329871 Hartree
45	BD(1)H9(C7) 9s(100.00%)	0.759592227	0.107443322 Hartree
46	RY(1)C1 s(0.72%)p99.99(93.92%)d7.49(5.37%)	0.003969619	0.982572492 Hartree
47	RY(2)C1 s(3.47%)p19.80(68.79%)d7.98(27.73%)	0.001365873	1.136288074 Hartree
48	RY(3)C1 s(6.68%)p13.08(87.44%)d0.88(5.87%)	0.000896641	0.809679086 Hartree
49	RY(4)C1 s(7.51%)p0.89(6.67%)d11.42(85.82%)	0.000384890	1.778306538 Hartree
50	RY(5)C1 s(53.93%)p0.03(1.85%)d0.82(44.22%)	0.000249659	1.883288252 Hartree
51	RY(6)C1 s(23.64%)p0.34(7.92%)d2.89(68.44%)	0.000081036	2.265722800 Hartree
52	RY(7)C1 s(43.51%)p0.34(14.78%)d0.96(41.71%)	0.000029642	2.718835164 Hartree
53	RY(8)C1 s(13.86%)p0.16(2.24%)d6.05(83.90%)	0.000005192	2.282053403 Hartree
54	RY(9)C1 s(36.36%)p0.31(11.10%)d1.44(52.53%)	0.000002065	2.328272285 Hartree
55	RY(10)C1 s(10.30%)p0.54(5.57%)d8.17(84.13%)	0.000002393	2.287294917 Hartree
56	RY(1)C2 s(0.12%)p99.99(92.83%)d57.01(7.04%)	0.004506727	1.197262125 Hartree
57	RY(2)C2 s(4.76%)p18.12(86.31%)d1.87(8.93%)	0.002243684	0.775883073 Hartree
58	RY(3)C2 s(6.29%)p14.35(90.28%)d0.54(3.43%)	0.001651544	0.750367876 Hartree
59	RY(4)C2 s(55.15%)p0.11(5.85%)d0.71(39.01%)	0.000339921	1.583962331 Hartree
60	RY(5)C2 s(36.23%)p0.12(4.23%)d1.64(59.54%)	0.000166544	2.142364902 Hartree
61	RY(6)C2 s(3.45%)p2.20(7.61%)d25.75(88.94%)	0.000095670	1.917154468 Hartree
62	RY(7)C2 s(85.85%)p0.03(2.53%)d0.14(11.62%)	0.000009246	3.660306723 Hartree
63	RY(8)C2 s(1.62%)p3.24(5.24%)d57.54(93.14%)	0.000004866	2.044507407 Hartree
64	RY(9)C2 s(0.39%)p6.19(2.39%)d99.99(97.23%)	0.000002997	2.262066454 Hartree
65	RY(10)C2 s(6.18%)p0.48(2.96%)d14.69(90.86%)	0.000000881	2.029552434 Hartree
66	RY(1)C3 s(0.24%)p99.99(95.19%)d19.19(4.58%)	0.005574279	1.205754328 Hartree
67	RY(2)C3 s(1.44%)p67.65(97.21%)d0.94(1.35%)	0.002317011	0.791114022 Hartree
68	RY(3)C3 s(0.40%)p99.95(40.32%)d99.99(59.28%)	0.000836762	1.421420828 Hartree
69	RY(4)C3 s(38.70%)p0.02(0.92%)d1.56(60.38%)	0.000219853	1.831518997 Hartree
70	RY(5)C3 s(57.02%)p0.08(4.65%)d0.67(38.33%)	0.000138490	1.485896983 Hartree
71	RY(6)C3 s(5.42%)p9.36(50.77%)d8.08(43.80%)	0.000089192	1.321729660 Hartree
72	RY(7)C3 s(87.44%)p0.01(1.13%)d0.13(11.43%)	0.000041779	4.084403278 Hartree
73	RY(8)C3 s(6.37%)p0.71(4.54%)d13.99(89.10%)	0.000002860	2.332123370 Hartree
74	RY(9)C3 s(1.82%)p2.98(5.42%)d51.03(92.76%)	0.000000342	1.841701181 Hartree
75	RY(10)C3 s(1.19%)p0.06(0.07%)d83.19(98.74%)	0.000001105	2.218340336 Hartree
76	RY(1)C4 s(0.24%)p99.99(95.19%)d19.19(4.58%)	0.005574280	1.205754327 Hartree
77	RY(2)C4 s(1.44%)p67.65(97.21%)d0.94(1.35%)	0.002317011	0.791114033 Hartree
78	RY(3)C4 s(0.40%)p99.95(40.32%)d99.99(59.28%)	0.000836762	1.421420423 Hartree
79	RY(4)C4 s(38.70%)p0.02(0.92%)d1.56(60.38%)	0.000219853	1.831519050 Hartree
80	RY(5)C4 s(57.02%)p0.08(4.65%)d0.67(38.33%)	0.000138490	1.485896979 Hartree
81	RY(6)C4 s(5.42%)p9.36(50.77%)d8.08(43.80%)	0.000089192	1.321729531 Hartree
82	RY(7)C4 s(87.44%)p0.01(1.13%)d0.13(11.43%)	0.000041779	4.084403668 Hartree
83	RY(8)C4 s(6.37%)p0.71(4.54%)d13.99(89.10%)	0.000002860	2.332123346 Hartree
84	RY(9)C4 s(1.82%)p2.98(5.42%)d51.03(92.76%)	0.000000342	1.841701220 Hartree
85	RY(10)C4 s(1.19%)p0.06(0.07%)d83.19(98.74%)	0.000001105	2.218340394 Hartree
86	RY(1)C5 s(0.12%)p99.99(92.83%)d57.01(7.04%)	0.004506727	1.197261976 Hartree
87	RY(2)C5 s(4.76%)p18.12(86.31%)d1.87(8.93%)	0.002243684	0.775883174 Hartree
88	RY(3)C5 s(6.29%)p14.35(90.28%)d0.54(3.43%)	0.001651542	0.750368311 Hartree
89	RY(4)C5 s(55.15%)p0.11(5.85%)d0.71(39.01%)	0.000339922	1.583961308 Hartree
90	RY(5)C5 s(36.23%)p0.12(4.23%)d1.64(59.54%)	0.000166544	2.142365491 Hartree
91	RY(6)C5 s(3.45%)p2.20(7.61%)d25.75(88.94%)	0.000095671	1.917153574 Hartree
92	RY(7)C5 s(85.85%)p0.03(2.53%)d0.14(11.62%)	0.000009246	3.660306117 Hartree
93	RY(8)C5 s(1.62%)p3.24(5.24%)d57.54(93.14%)	0.000004866	2.044507339 Hartree
94	RY(9)C5 s(0.39%)p6.19(2.39%)d99.99(97.23%)	0.000002997	2.262066695 Hartree
95	RY(10)C5 s(6.18%)p0.48(2.96%)d14.69(90.86%)	0.000000881	2.029553584 Hartree
96	RY(1)C6 s(0.72%)p99.99(93.92%)d7.49(5.37%)	0.003969620	0.982572026 Hartree
97	RY(2)C6 s(3.47%)p19.80(68.79%)d7.98(27.73%)	0.001365875	1.136287974 Hartree
98	RY(3)C6 s(6.68%)p13.08(87.44%)d0.88(5.87%)	0.000896642	0.809679226 Hartree
99	RY(4)C6 s(7.51%)p0.89(6.67%)d11.42(85.82%)	0.000384890	1.778306354 Hartree
100	RY(5)C6 s(53.93%)p0.03(1.85%)d0.82(44.22%)	0.000249659	1.883287887 Hartree
101	RY(6)C6 s(23.64%)p0.34(7.92%)d2.89(68.44%)	0.000081037	2.265722372 Hartree
102	RY(7)C6 s(43.51%)p0.34(14.78%)d0.96(41.71%)	0.000029642	2.718834606 Hartree
103	RY(8)C6 s(13.86%)p0.16(2.24%)d6.05(83.90%)	0.000005192	2.282056981 Hartree
104	RY(9)C6 s(36.36%)p0.31(11.10%)d1.44(52.53%)	0.000002065	2.328269809 Hartree
105	RY(10)C6 s(10.30%)p0.54(5.57%)d8.17(84.13%)	0.000002393	2.287295510 Hartree
106	RY(1)C7 s(1.49%)p62.12(92.46%)d4.06(6.05%)	0.003868742	1.067782828 Hartree
107	RY(2)C7 s(6.77%)p9.96(67.38%)d3.82(25.86%)	0.001240419	1.087579059 Hartree
108	RY(3)C7 s(0.00%)p1.00(89.85%)d0.11(10.15%)	0.000743059	0.812279756 Hartree
109	RY(4)C7 s(79.12%)p0.11(8.42%)d0.16(12.45%)	0.000250470	1.650770374 Hartree
110	RY(5)C7 s(0.00%)p1.00(0.03%)d99.99(99.97%)	0.000211353	1.997275408 Hartree
111	RY(6)C7 s(0.00%)p1.00(10.19%)d8.81(89.81%)	0.000102160	1.955183271 Hartree
112	RY(7)C7 s(19.18%)p0.96(18.39%)d3.25(62.43%)	0.000066100	2.293532448 Hartree
113	RY(8)C7 s(14.43%)p0.54(7.81%)d5.39(77.76%)	0.000011125	1.936658983 Hartree
114	RY(9)C7 s(22.04%)p0.00(0.09%)d3.53(77.87%)	0.000005874	2.469821812 Hartree
115	RY(10)C7 s(56.98%)p0.10(5.65%)d0.66(37.37%)	0.000000144	3.087699091 Hartree
116	RY(1)H8 s(100.00%)	0.001689941	0.671741226 Hartree
117	RY(1)H9 s(100.00%)	0.001328363	0.667300815 Hartree
118	RY(1)H10 s(100.00%)	0.001285283	0.669010176 Hartree
119	RY(1)H11 s(100.00%)	0.001565729	0.678985793 Hartree
120	RY(1)H12 s(100.00%)	0.001084282	0.617397224 Hartree
121	RY(1)H13 s(100.00%)	0.001205504	0.616370457 Hartree
122	RY(1)H14 s(100.00%)	0.001205504	0.616370451 Hartree
123	RY(1)H15 s(100.00%)	0.001084281	0.617397230 Hartree
124	RY(1)H16 s(100.00%)	0.001285282	0.669010164 Hartree
125	RY(1)H17 s(100.00%)	0.001565730	0.678985944 Hartree

Display Range		- / 125
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	299	1.999994104	-10.184259794 Hartree
2	CR(1)C2	300	1.999996450	-10.181054326 Hartree
3	CR(1)C3	301	1.999996360	-10.178260511 Hartree
4	CR(1)C4	302	1.999996360	-10.178260500 Hartree
5	CR(1)C5	303	1.999996450	-10.181054331 Hartree
6	CR(1)C6	304	1.999994104	-10.184259806 Hartree
7	CR(1)C7	305	1.999994313	-10.181162997 Hartree
8	BD(1)C1-C2	306, 307	1.984064620	-0.523934609 Hartree
9	BD(1)C1-C7	308, 309	1.983797224	-0.504407329 Hartree
10	BD(1)C1-H16	310, 311	1.975231094	-0.453307305 Hartree
11	BD(1)C1-H17	312, 313	1.967636803	-0.453853787 Hartree
12	BD(1)C2-C3	314, 315	1.985459436	-0.595926866 Hartree
13	BD(2)C2-C3	316, 317	1.917218508	-0.248808352 Hartree
14	BD(1)C2-H15	318, 319	1.978850736	-0.464591721 Hartree
15	BD(1)C3-C4	320, 321	1.980981850	-0.543777039 Hartree
16	BD(1)C3-H14	322, 323	1.977950607	-0.460081383 Hartree
17	BD(1)C4-C5	324, 325	1.985459437	-0.595926866 Hartree
18	BD(2)C4-C5	326, 327	1.917218504	-0.248808355 Hartree
19	BD(1)C4-H13	328, 329	1.977950607	-0.460081377 Hartree
20	BD(1)C5-C6	330, 331	1.984064616	-0.523934595 Hartree
21	BD(1)C5-H12	332, 333	1.978850735	-0.464591730 Hartree
22	BD(1)C6-C7	334, 335	1.983797243	-0.504407378 Hartree
23	BD(1)C6-H10	336, 337	1.975231066	-0.453307285 Hartree
24	BD(1)C6-H11	338, 339	1.967636786	-0.453853816 Hartree
25	BD(1)C7-H8	340, 341	1.981840156	-0.450480045 Hartree
26	BD(1)C7-H9	342, 343	1.979569072	-0.451864728 Hartree
27	BD*(1)C1-C2		0.019293568	0.445788027 Hartree
28	BD*(1)C1-C7		0.016875743	0.395320646 Hartree
29	BD*(1)C1-H16		0.010161869	0.452380641 Hartree
30	BD*(1)C1-H17		0.017373951	0.445343700 Hartree
31	BD*(1)C2-C3		0.014493048	0.682138533 Hartree
32	BD*(2)C2-C3		0.098970988	0.069311899 Hartree
33	BD*(1)C2-H15		0.011817880	0.484434263 Hartree
34	BD*(1)C3-C4		0.023002094	0.514151174 Hartree
35	BD*(1)C3-H14		0.011382833	0.482773491 Hartree
36	BD*(1)C4-C5		0.014493047	0.682138531 Hartree
37	BD*(2)C4-C5		0.098970995	0.069311893 Hartree
38	BD*(1)C4-H13		0.011382833	0.482773493 Hartree
39	BD*(1)C5-C6		0.019293569	0.445788007 Hartree
40	BD*(1)C5-H12		0.011817881	0.484434260 Hartree
41	BD*(1)C6-C7		0.016875732	0.395320642 Hartree
42	BD*(1)C6-H10		0.010161872	0.452380620 Hartree
43	BD*(1)C6-H11		0.017373943	0.445343702 Hartree
44	BD*(1)C7-H8		0.013723838	0.462731935 Hartree
45	BD*(1)C7-H9		0.009496205	0.458978180 Hartree
46	RY(1)C1	344	0.003969619	0.982572492 Hartree
47	RY(2)C1	345	0.001365873	1.136288074 Hartree
48	RY(3)C1	346	0.000896641	0.809679086 Hartree
49	RY(4)C1	347	0.000384890	1.778306538 Hartree
50	RY(5)C1	348	0.000249659	1.883288252 Hartree
51	RY(6)C1	349	0.000081036	2.265722800 Hartree
52	RY(7)C1	350	0.000029642	2.718835164 Hartree
53	RY(8)C1	351	0.000005192	2.282053403 Hartree
54	RY(9)C1	352	0.000002065	2.328272285 Hartree
55	RY(10)C1	353	0.000002393	2.287294917 Hartree
56	RY(1)C2	354	0.004506727	1.197262125 Hartree
57	RY(2)C2	355	0.002243684	0.775883073 Hartree
58	RY(3)C2	356	0.001651544	0.750367876 Hartree
59	RY(4)C2	357	0.000339921	1.583962331 Hartree
60	RY(5)C2	358	0.000166544	2.142364902 Hartree
61	RY(6)C2	359	0.000095670	1.917154468 Hartree
62	RY(7)C2	360	0.000009246	3.660306723 Hartree
63	RY(8)C2	361	0.000004866	2.044507407 Hartree
64	RY(9)C2	362	0.000002997	2.262066454 Hartree
65	RY(10)C2	363	0.000000881	2.029552434 Hartree
66	RY(1)C3	364	0.005574279	1.205754328 Hartree
67	RY(2)C3	365	0.002317011	0.791114022 Hartree
68	RY(3)C3	366	0.000836762	1.421420828 Hartree
69	RY(4)C3	367	0.000219853	1.831518997 Hartree
70	RY(5)C3	368	0.000138490	1.485896983 Hartree
71	RY(6)C3	369	0.000089192	1.321729660 Hartree
72	RY(7)C3	370	0.000041779	4.084403278 Hartree
73	RY(8)C3	371	0.000002860	2.332123370 Hartree
74	RY(9)C3	372	0.000000342	1.841701181 Hartree
75	RY(10)C3	373	0.000001105	2.218340336 Hartree
76	RY(1)C4	374	0.005574280	1.205754327 Hartree
77	RY(2)C4	375	0.002317011	0.791114033 Hartree
78	RY(3)C4	376	0.000836762	1.421420423 Hartree
79	RY(4)C4	377	0.000219853	1.831519050 Hartree
80	RY(5)C4	378	0.000138490	1.485896979 Hartree
81	RY(6)C4	379	0.000089192	1.321729531 Hartree
82	RY(7)C4	380	0.000041779	4.084403668 Hartree
83	RY(8)C4	381	0.000002860	2.332123346 Hartree
84	RY(9)C4	382	0.000000342	1.841701220 Hartree
85	RY(10)C4	383	0.000001105	2.218340394 Hartree
86	RY(1)C5	384	0.004506727	1.197261976 Hartree
87	RY(2)C5	385	0.002243684	0.775883174 Hartree
88	RY(3)C5	386	0.001651542	0.750368311 Hartree
89	RY(4)C5	387	0.000339922	1.583961308 Hartree
90	RY(5)C5	388	0.000166544	2.142365491 Hartree
91	RY(6)C5	389	0.000095671	1.917153574 Hartree
92	RY(7)C5	390	0.000009246	3.660306117 Hartree
93	RY(8)C5	391	0.000004866	2.044507339 Hartree
94	RY(9)C5	392	0.000002997	2.262066695 Hartree
95	RY(10)C5	393	0.000000881	2.029553584 Hartree
96	RY(1)C6	394	0.003969620	0.982572026 Hartree
97	RY(2)C6	395	0.001365875	1.136287974 Hartree
98	RY(3)C6	396	0.000896642	0.809679226 Hartree
99	RY(4)C6	397	0.000384890	1.778306354 Hartree
100	RY(5)C6	398	0.000249659	1.883287887 Hartree
101	RY(6)C6	399	0.000081037	2.265722372 Hartree
102	RY(7)C6	400	0.000029642	2.718834606 Hartree
103	RY(8)C6	401	0.000005192	2.282056981 Hartree
104	RY(9)C6	402	0.000002065	2.328269809 Hartree
105	RY(10)C6	403	0.000002393	2.287295510 Hartree
106	RY(1)C7	404	0.003868742	1.067782828 Hartree
107	RY(2)C7	405	0.001240419	1.087579059 Hartree
108	RY(3)C7	406	0.000743059	0.812279756 Hartree
109	RY(4)C7	407	0.000250470	1.650770374 Hartree
110	RY(5)C7	408	0.000211353	1.997275408 Hartree
111	RY(6)C7	409	0.000102160	1.955183271 Hartree
112	RY(7)C7	410	0.000066100	2.293532448 Hartree
113	RY(8)C7	411	0.000011125	1.936658983 Hartree
114	RY(9)C7	412	0.000005874	2.469821812 Hartree
115	RY(10)C7	413	0.000000144	3.087699091 Hartree
116	RY(1)H8	414	0.001689941	0.671741226 Hartree
117	RY(1)H9	415	0.001328363	0.667300815 Hartree
118	RY(1)H10	416	0.001285283	0.669010176 Hartree
119	RY(1)H11	417	0.001565729	0.678985793 Hartree
120	RY(1)H12	418	0.001084282	0.617397224 Hartree
121	RY(1)H13	419	0.001205504	0.616370457 Hartree
122	RY(1)H14	420	0.001205504	0.616370451 Hartree
123	RY(1)H15	421	0.001084281	0.617397230 Hartree
124	RY(1)H16	422	0.001285282	0.669010164 Hartree
125	RY(1)H17	423	0.001565730	0.678985944 Hartree

CHINESE FORTUNE COOKIE OF JAN 1 1967 SAY.... ALL THINGS ARE DIFFICULT BEFORE THEY ARE EASY. WE LEARN SO LITTLE AND FORGET SO MUCH. YOU WILL OVERCOME OBSTACLES TO ACHIEVE SUCCESS. AH SO.