WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C3H7Cl
Symmetry	CS
Basis	6-31G(d)
RB3LYP Energy	-578.743604371 Hartree
Dipole Moment	2.3730 Debye
Server	batch (548925)
CPU time	38.9 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	8.0035902	0.26697103234
b	4.4542574	0.14857803394
c	3.1402336	0.10474691795

					Show all
Orbital	Symmetry	Occupancy	Spin	Energy	Actions
1	-	2	-	-101.52244 Ha
2	-	2	-	-10.25413 Ha
3	-	2	-	-10.19129 Ha
4	-	2	-	-10.19128 Ha
5	-	2	-	-9.43903 Ha
6	-	2	-	-7.20264 Ha
7	-	2	-	-7.1933 Ha
8	-	2	-	-7.19328 Ha
9	-	2	-	-0.85437 Ha
10	-	2	-	-0.75451 Ha
11	-	2	-	-0.7021 Ha
12	-	2	-	-0.58749 Ha
13	-	2	-	-0.47662 Ha
14	-	2	-	-0.45326 Ha
15	-	2	-	-0.42888 Ha
16	-	2	-	-0.40088 Ha
17	-	2	-	-0.37008 Ha
18	-	2	-	-0.36583 Ha
19	-	2	-	-0.35591 Ha
20	-	2	-	-0.28874 Ha
21	-	2	-	-0.28868 Ha
22	-	0	-	0.02549 Ha
23	-	0	-	0.08746 Ha
24	-	0	-	0.1299 Ha
25	-	0	-	0.14378 Ha
26	-	0	-	0.14832 Ha
27	-	0	-	0.16582 Ha
28	-	0	-	0.17913 Ha
29	-	0	-	0.18202 Ha
30	-	0	-	0.20365 Ha
31	-	0	-	0.23475 Ha
32	-	0	-	0.39059 Ha
33	-	0	-	0.44028 Ha
34	-	0	-	0.47118 Ha
35	-	0	-	0.47376 Ha
36	-	0	-	0.5006 Ha
37	-	0	-	0.50215 Ha
38	-	0	-	0.54469 Ha
39	-	0	-	0.58516 Ha
40	-	0	-	0.59979 Ha
41	-	0	-	0.67013 Ha
42	-	0	-	0.6941 Ha
43	-	0	-	0.72216 Ha
44	-	0	-	0.76344 Ha
45	-	0	-	0.85055 Ha
46	-	0	-	0.8744 Ha
47	-	0	-	0.88118 Ha
48	-	0	-	0.88963 Ha
49	-	0	-	0.89938 Ha
50	-	0	-	0.90224 Ha
51	-	0	-	0.91556 Ha
52	-	0	-	0.9387 Ha
53	-	0	-	0.97095 Ha
54	-	0	-	0.98679 Ha
55	-	0	-	1.03763 Ha
56	-	0	-	1.05026 Ha
57	-	0	-	1.16505 Ha
58	-	0	-	1.38387 Ha
59	-	0	-	1.44253 Ha
60	-	0	-	1.52041 Ha
61	-	0	-	1.57072 Ha
62	-	0	-	1.74034 Ha
63	-	0	-	1.87321 Ha
64	-	0	-	1.91048 Ha
65	-	0	-	1.95385 Ha
66	-	0	-	2.03109 Ha
67	-	0	-	2.07034 Ha
68	-	0	-	2.209 Ha
69	-	0	-	2.23665 Ha
70	-	0	-	2.24772 Ha
71	-	0	-	2.37523 Ha
72	-	0	-	2.39979 Ha
73	-	0	-	2.5547 Ha
74	-	0	-	2.64679 Ha
75	-	0	-	4.09887 Ha
76	-	0	-	4.26064 Ha
77	-	0	-	4.285 Ha
78	-	0	-	4.44767 Ha
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.69720
2	C	-0.20522
3	C	-0.69720
4	H	0.24921
5	H	0.23868
6	H	0.24167
7	Cl	-0.11554
8	H	0.25603
9	H	0.24921
10	H	0.24167
11	H	0.23868

					Show all
Orbital	Description	Occupancy	Spin	Energy	Actions
1	C1 Cor(1s)	1.999994602	-	-10.191247510 Hartree
2	C1 Val(2s)	1.111830654	-	-0.200933170 Hartree
3	C1 Ryd(3s)	0.000583367	-	1.260170337 Hartree
4	C1 Ryd(4s)	0.000030280	-	4.206325723 Hartree
5	C1 Val(2p)	1.247430349	-	-0.095580285 Hartree
6	C1 Ryd(3p)	0.001887399	-	0.644160577 Hartree
7	C1 Val(2p)	1.194990266	-	-0.088403574 Hartree
8	C1 Ryd(3p)	0.001922142	-	0.620212324 Hartree
9	C1 Val(2p)	1.132534234	-	-0.079331285 Hartree
10	C1 Ryd(3p)	0.001703875	-	0.602556884 Hartree
11	C1 Ryd(3d)	0.001567869	-	2.163999525 Hartree
12	C1 Ryd(3d)	0.000060935	-	1.789860975 Hartree
13	C1 Ryd(3d)	0.001189059	-	2.190095637 Hartree
14	C1 Ryd(3d)	0.000383986	-	1.873824892 Hartree
15	C1 Ryd(3d)	0.001091525	-	2.101078707 Hartree
16	C2 Cor(1s)	1.999994083	-	-10.254085044 Hartree
17	C2 Val(2s)	1.048523657	-	-0.229867501 Hartree
18	C2 Ryd(3s)	0.001134177	-	1.277845580 Hartree
19	C2 Ryd(4s)	0.000043075	-	4.287678454 Hartree
20	C2 Val(2p)	1.013853681	-	-0.128189455 Hartree
21	C2 Ryd(3p)	0.002960915	-	0.761076392 Hartree
22	C2 Val(2p)	1.064125747	-	-0.111118460 Hartree
23	C2 Ryd(3p)	0.003227727	-	0.677166661 Hartree
24	C2 Val(2p)	1.061146430	-	-0.084589580 Hartree
25	C2 Ryd(3p)	0.003945077	-	0.636559536 Hartree
26	C2 Ryd(3d)	0.002507129	-	2.032249586 Hartree
27	C2 Ryd(3d)	0.000580615	-	1.821110017 Hartree
28	C2 Ryd(3d)	0.000987438	-	2.242375611 Hartree
29	C2 Ryd(3d)	0.000775779	-	1.851660286 Hartree
30	C2 Ryd(3d)	0.001413207	-	2.128686413 Hartree
31	C3 Cor(1s)	1.999994602	-	-10.191247510 Hartree
32	C3 Val(2s)	1.111830654	-	-0.200933170 Hartree
33	C3 Ryd(3s)	0.000583367	-	1.260170337 Hartree
34	C3 Ryd(4s)	0.000030280	-	4.206325723 Hartree
35	C3 Val(2p)	1.247430349	-	-0.095580285 Hartree
36	C3 Ryd(3p)	0.001887399	-	0.644160577 Hartree
37	C3 Val(2p)	1.194990266	-	-0.088403574 Hartree
38	C3 Ryd(3p)	0.001922142	-	0.620212324 Hartree
39	C3 Val(2p)	1.132534234	-	-0.079331285 Hartree
40	C3 Ryd(3p)	0.001703875	-	0.602556884 Hartree
41	C3 Ryd(3d)	0.001567869	-	2.163999525 Hartree
42	C3 Ryd(3d)	0.000060935	-	1.789860975 Hartree
43	C3 Ryd(3d)	0.001189059	-	2.190095637 Hartree
44	C3 Ryd(3d)	0.000383986	-	1.873824892 Hartree
45	C3 Ryd(3d)	0.001091525	-	2.101078707 Hartree
46	H4 Val(1s)	0.749845174	-	0.102001782 Hartree
47	H4 Ryd(2s)	0.000942128	-	0.650294762 Hartree
48	H5 Val(1s)	0.760338493	-	0.083570225 Hartree
49	H5 Ryd(2s)	0.000978146	-	0.657312348 Hartree
50	H6 Val(1s)	0.756995388	-	0.095431727 Hartree
51	H6 Ryd(2s)	0.001334767	-	0.660401288 Hartree
52	Cl7 Cor(1s)	1.999999994	-	-101.427639023 Hartree
53	Cl7 Cor(2s)	1.999995497	-	-9.533546913 Hartree
54	Cl7 Val(3s)	1.870361849	-	-0.708682112 Hartree
55	Cl7 Ryd(4s)	0.002317235	-	0.574253887 Hartree
56	Cl7 Ryd(5s)	0.000001169	-	4.262679020 Hartree
57	Cl7 Cor(2p)	1.999994038	-	-7.199325533 Hartree
58	Cl7 Val(3p)	1.522275235	-	-0.263227832 Hartree
59	Cl7 Ryd(4p)	0.002418569	-	0.485158920 Hartree
60	Cl7 Cor(2p)	1.999993840	-	-7.196549767 Hartree
61	Cl7 Val(3p)	1.731293055	-	-0.278359348 Hartree
62	Cl7 Ryd(4p)	0.001978617	-	0.519913836 Hartree
63	Cl7 Cor(2p)	1.999996924	-	-7.193234933 Hartree
64	Cl7 Val(3p)	1.976315787	-	-0.293802704 Hartree
65	Cl7 Ryd(4p)	0.001305938	-	0.526981668 Hartree
66	Cl7 Ryd(3d)	0.003498636	-	1.095671849 Hartree
67	Cl7 Ryd(3d)	0.000711878	-	0.965343332 Hartree
68	Cl7 Ryd(3d)	0.000500750	-	0.932721997 Hartree
69	Cl7 Ryd(3d)	0.001326142	-	1.003841752 Hartree
70	Cl7 Ryd(3d)	0.001254229	-	0.976941515 Hartree
71	H8 Val(1s)	0.741604056	-	0.106805593 Hartree
72	H8 Ryd(2s)	0.002368545	-	0.608721803 Hartree
73	H9 Val(1s)	0.749845174	-	0.102001782 Hartree
74	H9 Ryd(2s)	0.000942128	-	0.650294762 Hartree
75	H10 Val(1s)	0.756995388	-	0.095431727 Hartree
76	H10 Ryd(2s)	0.001334767	-	0.660401288 Hartree
77	H11 Val(1s)	0.760338493	-	0.083570225 Hartree
78	H11 Ryd(2s)	0.000978146	-	0.657312348 Hartree

					Show all
Orbital	Description	Occupancy	Spin	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999994602	-	-10.191247510 Hartree
2	CR(1)C2 s(100.00%)	1.999994083	-	-10.254085044 Hartree
3	CR(1)C3 s(100.00%)	1.999994602	-	-10.191247510 Hartree
4	CR(1)Cl7 s(100.00%)	1.999999994	-	-101.427639023 Hartree
5	CR(2)Cl7 s(100.00%)	1.999995497	-	-9.533546913 Hartree
6	CR(3)Cl7 s(0.00%)p1.00(100.00%)	1.999994038	-	-7.199325533 Hartree
7	CR(4)Cl7 s(0.00%)p1.00(100.00%)	1.999993840	-	-7.196549767 Hartree
8	CR(5)Cl7 s(0.00%)p1.00(100.00%)	1.999996924	-	-7.193234933 Hartree
9	LP(1)Cl7 s(84.64%)p0.18(15.36%)d0.00(0.01%)	1.996081359	-	-0.673662766 Hartree
10	LP(2)Cl7 s(0.44%)p99.99(99.54%)d0.03(0.01%)	1.980299448	-	-0.296851943 Hartree
11	LP(3)Cl7 s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.976970136	-	-0.293892492 Hartree
12	BD(1)C1(C2) 1s(28.27%)p2.54(71.67%)d0.00(0.06%)	0.978911029	-	-0.075837418 Hartree
13	BD(1)C2(C1) 2s(29.81%)p2.35(70.13%)d0.00(0.05%)	1.029595372	-	-0.104254735 Hartree
14	BD(1)C1(H9) 1s(24.28%)p3.11(75.63%)d0.00(0.08%)	1.244923039	-	-0.121988745 Hartree
15	BD(1)H9(C1) 9s(100.00%)	0.749844773	-	0.102433197 Hartree
16	BD(1)C1(H10) 1s(23.93%)p3.17(75.98%)d0.00(0.09%)	1.241159429	-	-0.123572821 Hartree
17	BD(1)H10(C1) 10s(100.00%)	0.756993025	-	0.096469024 Hartree
18	BD(1)C1(H11) 1s(23.51%)p3.25(76.40%)d0.00(0.09%)	1.227013810	-	-0.124100370 Hartree
19	BD(1)H11(C1) 11s(100.00%)	0.760337389	-	0.084272894 Hartree
20	BD(1)C2(C3) 2s(29.81%)p2.35(70.13%)d0.00(0.05%)	1.029595372	-	-0.104254735 Hartree
21	BD(1)C3(C2) 3s(28.27%)p2.54(71.67%)d0.00(0.06%)	0.978911029	-	-0.075837418 Hartree
22	BD(1)C2(Cl7) 2s(15.29%)p5.53(84.50%)d0.01(0.20%)	0.871298996	-	-0.180690049 Hartree
23	BD(1)Cl7(C2) 7s(15.06%)p5.61(84.53%)d0.03(0.41%)	1.157471664	-	-0.266023543 Hartree
24	BD(1)C2(H8) 2s(25.15%)p2.97(74.75%)d0.00(0.10%)	1.261870571	-	-0.146112312 Hartree
25	BD(1)H8(C2) 8s(100.00%)	0.741580451	-	0.110191606 Hartree
26	BD(1)C3(H4) 3s(24.28%)p3.11(75.63%)d0.00(0.08%)	1.244923039	-	-0.121988745 Hartree
27	BD(1)H4(C3) 4s(100.00%)	0.749844773	-	0.102433197 Hartree
28	BD(1)C3(H5) 3s(23.51%)p3.25(76.40%)d0.00(0.09%)	1.227013810	-	-0.124100370 Hartree
29	BD(1)H5(C3) 5s(100.00%)	0.760337389	-	0.084272894 Hartree
30	BD(1)C3(H6) 3s(23.93%)p3.17(75.98%)d0.00(0.09%)	1.241159429	-	-0.123572821 Hartree
31	BD(1)H6(C3) 6s(100.00%)	0.756993025	-	0.096469024 Hartree
32	RY(1)C1 s(1.89%)p48.26(91.25%)d3.63(6.86%)	0.002470896	-	0.828787084 Hartree
33	RY(2)C1 s(2.43%)p38.04(92.29%)d2.18(5.28%)	0.002034918	-	0.756284720 Hartree
34	RY(3)C1 s(69.18%)p0.20(13.76%)d0.25(17.06%)	0.000443182	-	1.439636073 Hartree
35	RY(4)C1 s(7.70%)p0.97(7.45%)d11.01(84.85%)	0.000124925	-	1.975978584 Hartree
36	RY(5)C1 s(11.95%)p6.33(75.68%)d1.03(12.37%)	0.000091258	-	0.964120483 Hartree
37	RY(6)C1 s(4.13%)p2.86(11.80%)d20.36(84.07%)	0.000021260	-	1.942499708 Hartree
38	RY(7)C1 s(5.76%)p0.44(2.54%)d15.93(91.70%)	0.000008318	-	1.966709814 Hartree
39	RY(8)C1 s(4.79%)p0.03(0.16%)d19.83(95.05%)	0.000003301	-	2.119239867 Hartree
40	RY(9)C1 s(0.14%)p6.41(0.90%)d99.99(98.96%)	0.000000507	-	1.844340179 Hartree
41	RY(10)C1 s(92.03%)p0.05(4.49%)d0.04(3.48%)	0.000000069	-	3.595940108 Hartree
42	RY(1)C2 s(0.00%)p1.00(89.18%)d0.12(10.82%)	0.004042320	-	0.755922551 Hartree
43	RY(2)C2 s(0.87%)p99.99(87.50%)d13.40(11.63%)	0.003674966	-	0.790033120 Hartree
44	RY(3)C2 s(3.27%)p25.39(82.96%)d4.21(13.77%)	0.003120057	-	0.994470778 Hartree
45	RY(4)C2 s(36.34%)p0.04(1.38%)d1.71(62.28%)	0.000814402	-	1.829752525 Hartree
46	RY(5)C2 s(0.87%)p8.01(6.96%)d99.99(92.18%)	0.000553555	-	1.897337127 Hartree
47	RY(6)C2 s(0.00%)p1.00(10.68%)d8.36(89.32%)	0.000375657	-	1.820993995 Hartree
48	RY(7)C2 s(0.00%)p1.00(0.20%)d99.99(99.80%)	0.000227066	-	2.116181344 Hartree
49	RY(8)C2 s(54.00%)p0.14(7.32%)d0.72(38.68%)	0.000054473	-	2.835493516 Hartree
50	RY(9)C2 s(42.19%)p0.22(9.47%)d1.15(48.34%)	0.000000756	-	2.788984034 Hartree
51	RY(10)C2 s(62.40%)p0.08(4.82%)d0.53(32.78%)	0.000001087	-	1.868786380 Hartree
52	RY(1)C3 s(1.89%)p48.26(91.25%)d3.63(6.86%)	0.002470896	-	0.828787084 Hartree
53	RY(2)C3 s(2.43%)p38.04(92.29%)d2.18(5.28%)	0.002034918	-	0.756284720 Hartree
54	RY(3)C3 s(69.18%)p0.20(13.76%)d0.25(17.06%)	0.000443182	-	1.439636073 Hartree
55	RY(4)C3 s(7.70%)p0.97(7.45%)d11.01(84.85%)	0.000124925	-	1.975978584 Hartree
56	RY(5)C3 s(11.95%)p6.33(75.68%)d1.03(12.37%)	0.000091258	-	0.964120483 Hartree
57	RY(6)C3 s(4.13%)p2.86(11.80%)d20.36(84.07%)	0.000021260	-	1.942499708 Hartree
58	RY(7)C3 s(5.76%)p0.44(2.54%)d15.93(91.70%)	0.000008318	-	1.966709813 Hartree
59	RY(8)C3 s(4.79%)p0.03(0.16%)d19.83(95.05%)	0.000003301	-	2.119239867 Hartree
60	RY(9)C3 s(0.14%)p6.41(0.90%)d99.99(98.96%)	0.000000507	-	1.844340178 Hartree
61	RY(10)C3 s(92.03%)p0.05(4.49%)d0.04(3.48%)	0.000000069	-	3.595940110 Hartree
62	RY(1)H4 s(100.00%)	0.000942530	-	0.649863348 Hartree
63	RY(1)H5 s(100.00%)	0.000979250	-	0.656609679 Hartree
64	RY(1)H6 s(100.00%)	0.001337131	-	0.659363990 Hartree
65	RY(1)Cl7 s(1.41%)p36.21(51.17%)d33.55(47.41%)	0.001896875	-	0.665245769 Hartree
66	RY(2)Cl7 s(0.00%)p1.00(51.17%)d0.95(48.83%)	0.001838637	-	0.671686414 Hartree
67	RY(3)Cl7 s(26.68%)p2.03(54.23%)d0.72(19.09%)	0.000903677	-	0.539763390 Hartree
68	RY(4)Cl7 s(0.74%)p15.11(11.13%)d99.99(88.13%)	0.000039736	-	1.063947626 Hartree
69	RY(5)Cl7 s(1.15%)p8.18(9.43%)d77.56(89.42%)	0.000025261	-	1.034177743 Hartree
70	RY(6)Cl7 s(0.00%)p1.00(1.34%)d73.88(98.66%)	0.000024817	-	0.909509569 Hartree
71	RY(7)Cl7 s(65.63%)p0.42(27.73%)d0.10(6.64%)	0.000006394	-	0.560395779 Hartree
72	RY(8)Cl7 s(0.00%)p1.00(47.51%)d1.10(52.49%)	0.000000763	-	0.843940801 Hartree
73	RY(9)Cl7 s(85.37%)p0.08(6.73%)d0.09(7.90%)	0.000000081	-	3.767319202 Hartree
74	RY(10)Cl7 s(18.87%)p2.13(40.14%)d2.17(40.99%)	0.000000240	-	1.273880232 Hartree
75	RY(1)H8 s(100.00%)	0.002392150	-	0.605335790 Hartree
76	RY(1)H9 s(100.00%)	0.000942530	-	0.649863348 Hartree
77	RY(1)H10 s(100.00%)	0.001337131	-	0.659363990 Hartree
78	RY(1)H11 s(100.00%)	0.000979250	-	0.656609679 Hartree

					Show all
Orbital	Description	NHOs	Occupancy	Spin	Energy	Actions
1	CR(1)C1	138	1.999994602	-	-10.191247510 Hartree
2	CR(1)C2	139	1.999994083	-	-10.254085044 Hartree
3	CR(1)C3	140	1.999994602	-	-10.191247510 Hartree
4	CR(1)Cl7	141	1.999999994	-	-101.427639023 Hartree
5	CR(2)Cl7	142	1.999995497	-	-9.533546913 Hartree
6	CR(3)Cl7	143	1.999994038	-	-7.199325533 Hartree
7	CR(4)Cl7	144	1.999993840	-	-7.196549767 Hartree
8	CR(5)Cl7	145	1.999996924	-	-7.193234933 Hartree
9	LP(1)Cl7	146	1.996081359	-	-0.673662766 Hartree
10	LP(2)Cl7	147	1.980299448	-	-0.296851943 Hartree
11	LP(3)Cl7	148	1.976970136	-	-0.293892492 Hartree
12	BD(1)C1-C2	149, 150	1.990593603	-	-0.550458133 Hartree
13	BD(1)C1-H9	151, 152	1.989404567	-	-0.474542720 Hartree
14	BD(1)C1-H10	153, 154	1.990160905	-	-0.474227509 Hartree
15	BD(1)C1-H11	155, 156	1.978538920	-	-0.476556513 Hartree
16	BD(1)C2-C3	157, 158	1.990593603	-	-0.550458133 Hartree
17	BD(1)C2-Cl7	159, 160	1.985280892	-	-0.545027986 Hartree
18	BD(1)C2-H8	161, 162	1.981330116	-	-0.498259083 Hartree
19	BD(1)C3-H4	163, 164	1.989404567	-	-0.474542720 Hartree
20	BD(1)C3-H5	165, 166	1.978538920	-	-0.476556513 Hartree
21	BD(1)C3-H6	167, 168	1.990160905	-	-0.474227509 Hartree
22	BD*(1)C1-C2		0.017912798	-	0.370365980 Hartree
23	BD*(1)C1-H9		0.005363245	-	0.454987171 Hartree
24	BD*(1)C1-H10		0.007991549	-	0.447123712 Hartree
25	BD*(1)C1-H11		0.008812280	-	0.436729037 Hartree
26	BD*(1)C2-C3		0.017912798	-	0.370365980 Hartree
27	BD*(1)C2-Cl7		0.043489768	-	0.098314394 Hartree
28	BD*(1)C2-H8		0.022120906	-	0.462338377 Hartree
29	BD*(1)C3-H4		0.005363245	-	0.454987171 Hartree
30	BD*(1)C3-H5		0.008812280	-	0.436729037 Hartree
31	BD*(1)C3-H6		0.007991549	-	0.447123712 Hartree
32	RY(1)C1	169	0.002470896	-	0.828787084 Hartree
33	RY(2)C1	170	0.002034918	-	0.756284720 Hartree
34	RY(3)C1	171	0.000443182	-	1.439636073 Hartree
35	RY(4)C1	172	0.000124925	-	1.975978584 Hartree
36	RY(5)C1	173	0.000091258	-	0.964120483 Hartree
37	RY(6)C1	174	0.000021260	-	1.942499708 Hartree
38	RY(7)C1	175	0.000008318	-	1.966709814 Hartree
39	RY(8)C1	176	0.000003301	-	2.119239867 Hartree
40	RY(9)C1	177	0.000000507	-	1.844340179 Hartree
41	RY(10)C1	178	0.000000069	-	3.595940108 Hartree
42	RY(1)C2	179	0.004042320	-	0.755922551 Hartree
43	RY(2)C2	180	0.003674966	-	0.790033120 Hartree
44	RY(3)C2	181	0.003120057	-	0.994470778 Hartree
45	RY(4)C2	182	0.000814402	-	1.829752525 Hartree
46	RY(5)C2	183	0.000553555	-	1.897337127 Hartree
47	RY(6)C2	184	0.000375657	-	1.820993995 Hartree
48	RY(7)C2	185	0.000227066	-	2.116181344 Hartree
49	RY(8)C2	186	0.000054473	-	2.835493516 Hartree
50	RY(9)C2	187	0.000000756	-	2.788984034 Hartree
51	RY(10)C2	188	0.000001087	-	1.868786380 Hartree
52	RY(1)C3	189	0.002470896	-	0.828787084 Hartree
53	RY(2)C3	190	0.002034918	-	0.756284720 Hartree
54	RY(3)C3	191	0.000443182	-	1.439636073 Hartree
55	RY(4)C3	192	0.000124925	-	1.975978584 Hartree
56	RY(5)C3	193	0.000091258	-	0.964120483 Hartree
57	RY(6)C3	194	0.000021260	-	1.942499708 Hartree
58	RY(7)C3	195	0.000008318	-	1.966709813 Hartree
59	RY(8)C3	196	0.000003301	-	2.119239867 Hartree
60	RY(9)C3	197	0.000000507	-	1.844340178 Hartree
61	RY(10)C3	198	0.000000069	-	3.595940110 Hartree
62	RY(1)H4	199	0.000942530	-	0.649863348 Hartree
63	RY(1)H5	200	0.000979250	-	0.656609679 Hartree
64	RY(1)H6	201	0.001337131	-	0.659363990 Hartree
65	RY(1)Cl7	202	0.001896875	-	0.665245769 Hartree
66	RY(2)Cl7	203	0.001838637	-	0.671686414 Hartree
67	RY(3)Cl7	204	0.000903677	-	0.539763390 Hartree
68	RY(4)Cl7	205	0.000039736	-	1.063947626 Hartree
69	RY(5)Cl7	206	0.000025261	-	1.034177743 Hartree
70	RY(6)Cl7	207	0.000024817	-	0.909509569 Hartree
71	RY(7)Cl7	208	0.000006394	-	0.560395779 Hartree
72	RY(8)Cl7	209	0.000000763	-	0.843940801 Hartree
73	RY(9)Cl7	210	0.000000081	-	3.767319202 Hartree
74	RY(10)Cl7	211	0.000000240	-	1.273880232 Hartree
75	RY(1)H8	212	0.002392150	-	0.605335790 Hartree
76	RY(1)H9	213	0.000942530	-	0.649863348 Hartree
77	RY(1)H10	214	0.001337131	-	0.659363990 Hartree
78	RY(1)H11	215	0.000979250	-	0.656609679 Hartree

CHARLIE BROWN.."I CAN'T GET THAT STUPID KITE IN THE AIR... I CAN'T... I C A N N O T..." LUCY.."OH COME NOW CHARLIE BROWN...THAT'S NO WAY TO TALK... THE TROUBLE WITH YOU IS YOU DON'T BELIEVE IN YOURSELF... YOU DON'T BELIEVE IN YOUR OWN ABILITIES... YOU'VE GOT TO SAY TO YOURSELF...'I BELIEVE I CAN FLY THIS KITE.'... GO AHEAD SAY IT...." CHARLIE BROWN.."I BELIEVE THAT I CAN FLY THIS STUPID KITE.....I BELIEVE THAT I CAN FLY THIS KITE........ I A C T U A L L Y B E L I E V E T H A T I C A N ******" LUCY.."I'LL BET YOU TEN-TO-ONE YOU'RE WRONG......." SCHULZ