WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C4H10
Symmetry	C2
Basis	6-31G(d)
RB3LYP Energy	-158.452702019 Hartree
Dipole Moment	0.0624 Debye
Server	batch (117204)
CPU time	5.9 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	17.8919154	0.59681005718
b	3.7411309	0.12479069437
c	3.7296723	0.12440847661

Atom	Symbol	Charge
1	C	-0.445365
2	C	-0.247550
3	C	-0.247550
4	C	-0.445365
5	H	0.139760
6	H	0.142166
7	H	0.142793
8	H	0.133184
9	H	0.135012
10	H	0.135012
11	H	0.133184
12	H	0.139760
13	H	0.142166
14	H	0.142793

Display Range		- / 80
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-10.17574 Hartree
2	-	2	-10.17556 Hartree
3	-	2	-10.17019 Hartree
4	-	2	-10.17019 Hartree
5	-	2	-0.78459 Hartree
6	-	2	-0.71726 Hartree
7	-	2	-0.62688 Hartree
8	-	2	-0.57040 Hartree
9	-	2	-0.45534 Hartree
10	-	2	-0.43209 Hartree
11	-	2	-0.41722 Hartree
12	-	2	-0.39264 Hartree
13	-	2	-0.36008 Hartree
14	-	2	-0.35998 Hartree
15	-	2	-0.32439 Hartree
16	-	2	-0.31612 Hartree
17	-	2	-0.31398 Hartree
18	-	0	0.09470 Hartree
19	-	0	0.12710 Hartree
20	-	0	0.13712 Hartree
21	-	0	0.14493 Hartree
22	-	0	0.16495 Hartree
23	-	0	0.17314 Hartree
24	-	0	0.17746 Hartree
25	-	0	0.18180 Hartree
26	-	0	0.19241 Hartree
27	-	0	0.19580 Hartree
28	-	0	0.24791 Hartree
29	-	0	0.27681 Hartree
30	-	0	0.28885 Hartree
31	-	0	0.51835 Hartree
32	-	0	0.52052 Hartree
33	-	0	0.53327 Hartree
34	-	0	0.57360 Hartree
35	-	0	0.59256 Hartree
36	-	0	0.60574 Hartree
37	-	0	0.63595 Hartree
38	-	0	0.67326 Hartree
39	-	0	0.67992 Hartree
40	-	0	0.72648 Hartree
41	-	0	0.81533 Hartree
42	-	0	0.84169 Hartree
43	-	0	0.87879 Hartree
44	-	0	0.88084 Hartree
45	-	0	0.88359 Hartree
46	-	0	0.90602 Hartree
47	-	0	0.90841 Hartree
48	-	0	0.94237 Hartree
49	-	0	0.95958 Hartree
50	-	0	0.96966 Hartree
51	-	0	0.98760 Hartree
52	-	0	0.99215 Hartree
53	-	0	1.02254 Hartree
54	-	0	1.20611 Hartree
55	-	0	1.42117 Hartree
56	-	0	1.47047 Hartree
57	-	0	1.51486 Hartree
58	-	0	1.64747 Hartree
59	-	0	1.68064 Hartree
60	-	0	1.76148 Hartree
61	-	0	1.88069 Hartree
62	-	0	1.90261 Hartree
63	-	0	1.95791 Hartree
64	-	0	1.98553 Hartree
65	-	0	2.01504 Hartree
66	-	0	2.11102 Hartree
67	-	0	2.14166 Hartree
68	-	0	2.26045 Hartree
69	-	0	2.29678 Hartree
70	-	0	2.30718 Hartree
71	-	0	2.37394 Hartree
72	-	0	2.38967 Hartree
73	-	0	2.42829 Hartree
74	-	0	2.55053 Hartree
75	-	0	2.66063 Hartree
76	-	0	2.70506 Hartree
77	-	0	4.11753 Hartree
78	-	0	4.21762 Hartree
79	-	0	4.38339 Hartree
80	-	0	4.52389 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.67360
2	C	-0.46248
3	C	-0.46248
4	C	-0.67360
5	H	0.23066
6	H	0.22371
7	H	0.22438
8	H	0.23103
9	H	0.22631
10	H	0.22631
11	H	0.23103
12	H	0.23066
13	H	0.22371
14	H	0.22438

Display Range		- / 80
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999997240	-10.170170313 Hartree
2	C1 Val(2s)	1.108566556	-0.177381749 Hartree
3	C1 Ryd(3s)	0.000253548	1.250976580 Hartree
4	C1 Ryd(4s)	0.000027780	4.253132692 Hartree
5	C1 Val(2p)	1.199335958	-0.063808828 Hartree
6	C1 Ryd(3p)	0.000997545	0.636347852 Hartree
7	C1 Val(2p)	1.157042684	-0.057337248 Hartree
8	C1 Ryd(3p)	0.001344016	0.638844176 Hartree
9	C1 Val(2p)	1.200903278	-0.064486368 Hartree
10	C1 Ryd(3p)	0.000925350	0.628933095 Hartree
11	C1 Ryd(3d)	0.001006779	2.132851214 Hartree
12	C1 Ryd(3d)	0.000723848	2.005077529 Hartree
13	C1 Ryd(3d)	0.000419203	1.977698747 Hartree
14	C1 Ryd(3d)	0.000790598	1.990179762 Hartree
15	C1 Ryd(3d)	0.001262420	2.116462202 Hartree
16	C2 Cor(1s)	1.999997134	-10.175623932 Hartree
17	C2 Val(2s)	1.046444942	-0.156098255 Hartree
18	C2 Ryd(3s)	0.000708703	1.384483812 Hartree
19	C2 Ryd(4s)	0.000038857	4.326028846 Hartree
20	C2 Val(2p)	1.157731252	-0.053963615 Hartree
21	C2 Ryd(3p)	0.001392259	0.671216593 Hartree
22	C2 Val(2p)	1.042866932	-0.035341823 Hartree
23	C2 Ryd(3p)	0.001657772	0.661101113 Hartree
24	C2 Val(2p)	1.204667856	-0.061101398 Hartree
25	C2 Ryd(3p)	0.002980393	0.778052042 Hartree
26	C2 Ryd(3d)	0.000655418	2.158696667 Hartree
27	C2 Ryd(3d)	0.000780245	2.063964979 Hartree
28	C2 Ryd(3d)	0.000612631	2.029332451 Hartree
29	C2 Ryd(3d)	0.000875682	2.075146558 Hartree
30	C2 Ryd(3d)	0.001072536	2.130337694 Hartree
31	C3 Cor(1s)	1.999997134	-10.175623932 Hartree
32	C3 Val(2s)	1.046444942	-0.156098255 Hartree
33	C3 Ryd(3s)	0.000708703	1.384483812 Hartree
34	C3 Ryd(4s)	0.000038857	4.326028848 Hartree
35	C3 Val(2p)	1.157731252	-0.053963615 Hartree
36	C3 Ryd(3p)	0.001392259	0.671216593 Hartree
37	C3 Val(2p)	1.042866932	-0.035341823 Hartree
38	C3 Ryd(3p)	0.001657772	0.661101113 Hartree
39	C3 Val(2p)	1.204667856	-0.061101398 Hartree
40	C3 Ryd(3p)	0.002980393	0.778052042 Hartree
41	C3 Ryd(3d)	0.000655418	2.158696667 Hartree
42	C3 Ryd(3d)	0.000780245	2.063964979 Hartree
43	C3 Ryd(3d)	0.000612631	2.029332451 Hartree
44	C3 Ryd(3d)	0.000875682	2.075146558 Hartree
45	C3 Ryd(3d)	0.001072536	2.130337694 Hartree
46	C4 Cor(1s)	1.999997240	-10.170170313 Hartree
47	C4 Val(2s)	1.108566556	-0.177381749 Hartree
48	C4 Ryd(3s)	0.000253548	1.250976580 Hartree
49	C4 Ryd(4s)	0.000027780	4.253132715 Hartree
50	C4 Val(2p)	1.199335958	-0.063808828 Hartree
51	C4 Ryd(3p)	0.000997545	0.636347852 Hartree
52	C4 Val(2p)	1.157042684	-0.057337248 Hartree
53	C4 Ryd(3p)	0.001344016	0.638844176 Hartree
54	C4 Val(2p)	1.200903278	-0.064486368 Hartree
55	C4 Ryd(3p)	0.000925350	0.628933095 Hartree
56	C4 Ryd(3d)	0.001006779	2.132851214 Hartree
57	C4 Ryd(3d)	0.000723848	2.005077529 Hartree
58	C4 Ryd(3d)	0.000419203	1.977698747 Hartree
59	C4 Ryd(3d)	0.000790598	1.990179762 Hartree
60	C4 Ryd(3d)	0.001262420	2.116462202 Hartree
61	H5 Val(1s)	0.768489214	0.108476478 Hartree
62	H5 Ryd(2s)	0.000851142	0.660751033 Hartree
63	H6 Val(1s)	0.775225747	0.103548158 Hartree
64	H6 Ryd(2s)	0.001066841	0.674763960 Hartree
65	H7 Val(1s)	0.774583766	0.104203943 Hartree
66	H7 Ryd(2s)	0.001040558	0.673026481 Hartree
67	H8 Val(1s)	0.767670319	0.112683545 Hartree
68	H8 Ryd(2s)	0.001300179	0.662834287 Hartree
69	H9 Val(1s)	0.772206907	0.108644391 Hartree
70	H9 Ryd(2s)	0.001485908	0.697592613 Hartree
71	H10 Val(1s)	0.772206907	0.108644391 Hartree
72	H10 Ryd(2s)	0.001485908	0.697592613 Hartree
73	H11 Val(1s)	0.767670319	0.112683545 Hartree
74	H11 Ryd(2s)	0.001300179	0.662834287 Hartree
75	H12 Val(1s)	0.768489214	0.108476478 Hartree
76	H12 Ryd(2s)	0.000851142	0.660751033 Hartree
77	H13 Val(1s)	0.775225747	0.103548158 Hartree
78	H13 Ryd(2s)	0.001066841	0.674763960 Hartree
79	H14 Val(1s)	0.774583766	0.104203943 Hartree
80	H14 Ryd(2s)	0.001040558	0.673026481 Hartree

Display Range		- / 80
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999997240	-10.170170313 Hartree
2	CR(1)C2 s(100.00%)	1.999997134	-10.175623932 Hartree
3	CR(1)C3 s(100.00%)	1.999997134	-10.175623932 Hartree
4	CR(1)C4 s(100.00%)	1.999997240	-10.170170313 Hartree
5	BD(1)C1(C2) 1s(28.82%)p2.47(71.13%)d0.00(0.05%)	0.994613703	-0.049433442 Hartree
6	BD(1)C2(C1) 2s(27.15%)p2.68(72.80%)d0.00(0.05%)	1.002585168	-0.050034239 Hartree
7	BD(1)C1(H12) 1s(23.92%)p3.18(75.99%)d0.00(0.09%)	1.227631779	-0.098247030 Hartree
8	BD(1)H12(C1) 12s(100.00%)	0.768488983	0.108796810 Hartree
9	BD(1)C1(H13) 1s(23.62%)p3.23(76.30%)d0.00(0.09%)	1.223710916	-0.099074252 Hartree
10	BD(1)H13(C1) 13s(100.00%)	0.775224518	0.104282227 Hartree
11	BD(1)C1(H14) 1s(23.64%)p3.23(76.27%)d0.00(0.09%)	1.224453019	-0.099135879 Hartree
12	BD(1)H14(C1) 14s(100.00%)	0.774582589	0.104923342 Hartree
13	BD(1)C2(C3) 2s(27.32%)p2.66(72.64%)d0.00(0.05%)	1.000913574	-0.052185408 Hartree
14	BD(1)C3(C2) 3s(27.32%)p2.66(72.64%)d0.00(0.05%)	1.000913574	-0.052185408 Hartree
15	BD(1)C2(H10) 2s(22.76%)p3.39(77.16%)d0.00(0.09%)	1.224946678	-0.093695632 Hartree
16	BD(1)H10(C2) 10s(100.00%)	0.772203110	0.109936568 Hartree
17	BD(1)C2(H11) 2s(22.80%)p3.38(77.11%)d0.00(0.09%)	1.227671030	-0.093209081 Hartree
18	BD(1)H11(C2) 11s(100.00%)	0.767668512	0.113580135 Hartree
19	BD(1)C3(C4) 3s(27.15%)p2.68(72.80%)d0.00(0.05%)	1.002585168	-0.050034239 Hartree
20	BD(1)C4(C3) 4s(28.82%)p2.47(71.13%)d0.00(0.05%)	0.994613703	-0.049433442 Hartree
21	BD(1)C3(H8) 3s(22.80%)p3.38(77.11%)d0.00(0.09%)	1.227671030	-0.093209081 Hartree
22	BD(1)H8(C3) 8s(100.00%)	0.767668512	0.113580135 Hartree
23	BD(1)C3(H9) 3s(22.76%)p3.39(77.16%)d0.00(0.09%)	1.224946678	-0.093695632 Hartree
24	BD(1)H9(C3) 9s(100.00%)	0.772203110	0.109936568 Hartree
25	BD(1)C4(H5) 4s(23.92%)p3.18(75.99%)d0.00(0.09%)	1.227631779	-0.098247030 Hartree
26	BD(1)H5(C4) 5s(100.00%)	0.768488983	0.108796810 Hartree
27	BD(1)C4(H6) 4s(23.62%)p3.23(76.30%)d0.00(0.09%)	1.223710916	-0.099074252 Hartree
28	BD(1)H6(C4) 6s(100.00%)	0.775224518	0.104282227 Hartree
29	BD(1)C4(H7) 4s(23.64%)p3.23(76.27%)d0.00(0.09%)	1.224453019	-0.099135879 Hartree
30	BD(1)H7(C4) 7s(100.00%)	0.774582589	0.104923342 Hartree
31	RY(1)C1 s(1.16%)p73.32(85.07%)d11.86(13.77%)	0.001763975	0.932332640 Hartree
32	RY(2)C1 s(0.00%)p1.00(77.73%)d0.29(22.27%)	0.001243072	1.014632991 Hartree
33	RY(3)C1 s(70.60%)p0.30(20.93%)d0.12(8.47%)	0.000132161	1.610025036 Hartree
34	RY(4)C1 s(16.88%)p3.54(59.80%)d1.38(23.33%)	0.000035637	1.077858567 Hartree
35	RY(5)C1 s(0.15%)p99.99(18.25%)d99.99(81.59%)	0.000010020	1.838511767 Hartree
36	RY(6)C1 s(2.43%)p6.14(14.90%)d34.06(82.67%)	0.000002893	1.841915219 Hartree
37	RY(7)C1 s(9.41%)p2.03(19.07%)d7.60(71.52%)	0.000000617	1.800293566 Hartree
38	RY(8)C1 s(0.10%)p21.80(2.15%)d99.99(97.75%)	0.000001550	1.850188205 Hartree
39	RY(9)C1 s(10.73%)p0.14(1.55%)d8.18(87.72%)	0.000000221	2.098749431 Hartree
40	RY(10)C1 s(88.54%)p0.01(0.86%)d0.12(10.60%)	0.000000001	3.548872836 Hartree
41	RY(1)C2 s(0.89%)p99.99(91.84%)d8.15(7.27%)	0.003424649	0.991541689 Hartree
42	RY(2)C2 s(7.13%)p10.79(76.90%)d2.24(15.97%)	0.001607235	0.925698059 Hartree
43	RY(3)C2 s(1.45%)p54.50(79.00%)d13.48(19.55%)	0.000800511	0.992406849 Hartree
44	RY(4)C2 s(16.37%)p0.11(1.82%)d5.00(81.81%)	0.000278782	1.824346230 Hartree
45	RY(5)C2 s(68.12%)p0.01(0.90%)d0.45(30.98%)	0.000158400	2.082000804 Hartree
46	RY(6)C2 s(1.38%)p7.43(10.22%)d64.28(88.40%)	0.000056770	2.062732563 Hartree
47	RY(7)C2 s(18.03%)p1.53(27.57%)d3.02(54.40%)	0.000038090	1.741899804 Hartree
48	RY(8)C2 s(16.18%)p0.14(2.27%)d5.04(81.54%)	0.000004044	2.325593102 Hartree
49	RY(9)C2 s(66.05%)p0.04(2.96%)d0.47(31.00%)	0.000000011	3.263594136 Hartree
50	RY(10)C2 s(4.39%)p1.55(6.81%)d20.22(88.80%)	0.000000537	2.051166787 Hartree
51	RY(1)C3 s(0.89%)p99.99(91.84%)d8.15(7.27%)	0.003424649	0.991541689 Hartree
52	RY(2)C3 s(7.13%)p10.79(76.90%)d2.24(15.97%)	0.001607235	0.925698059 Hartree
53	RY(3)C3 s(1.45%)p54.50(79.00%)d13.48(19.55%)	0.000800511	0.992406849 Hartree
54	RY(4)C3 s(16.37%)p0.11(1.82%)d5.00(81.81%)	0.000278782	1.824346230 Hartree
55	RY(5)C3 s(68.12%)p0.01(0.90%)d0.45(30.98%)	0.000158400	2.082000806 Hartree
56	RY(6)C3 s(1.38%)p7.43(10.22%)d64.28(88.40%)	0.000056770	2.062732564 Hartree
57	RY(7)C3 s(18.03%)p1.53(27.57%)d3.02(54.40%)	0.000038090	1.741899805 Hartree
58	RY(8)C3 s(16.18%)p0.14(2.27%)d5.04(81.54%)	0.000004044	2.325593105 Hartree
59	RY(9)C3 s(66.05%)p0.04(2.96%)d0.47(31.00%)	0.000000011	3.263594137 Hartree
60	RY(10)C3 s(4.39%)p1.55(6.81%)d20.22(88.80%)	0.000000537	2.051166782 Hartree
61	RY(1)C4 s(1.16%)p73.32(85.07%)d11.86(13.77%)	0.001763975	0.932332640 Hartree
62	RY(2)C4 s(0.00%)p1.00(77.73%)d0.29(22.27%)	0.001243072	1.014632991 Hartree
63	RY(3)C4 s(70.60%)p0.30(20.93%)d0.12(8.47%)	0.000132161	1.610025044 Hartree
64	RY(4)C4 s(16.88%)p3.54(59.80%)d1.38(23.33%)	0.000035637	1.077858567 Hartree
65	RY(5)C4 s(0.15%)p99.99(18.25%)d99.99(81.59%)	0.000010020	1.838511766 Hartree
66	RY(6)C4 s(2.43%)p6.14(14.90%)d34.06(82.67%)	0.000002893	1.841915222 Hartree
67	RY(7)C4 s(9.41%)p2.03(19.07%)d7.60(71.52%)	0.000000617	1.800293563 Hartree
68	RY(8)C4 s(0.10%)p21.80(2.15%)d99.99(97.75%)	0.000001550	1.850188205 Hartree
69	RY(9)C4 s(10.73%)p0.14(1.55%)d8.18(87.72%)	0.000000221	2.098749467 Hartree
70	RY(10)C4 s(88.54%)p0.01(0.86%)d0.12(10.60%)	0.000000001	3.548872816 Hartree
71	RY(1)H5 s(100.00%)	0.000851373	0.660430701 Hartree
72	RY(1)H6 s(100.00%)	0.001068070	0.674029891 Hartree
73	RY(1)H7 s(100.00%)	0.001041736	0.672307083 Hartree
74	RY(1)H8 s(100.00%)	0.001301986	0.661937696 Hartree
75	RY(1)H9 s(100.00%)	0.001489706	0.696300437 Hartree
76	RY(1)H10 s(100.00%)	0.001489706	0.696300437 Hartree
77	RY(1)H11 s(100.00%)	0.001301986	0.661937696 Hartree
78	RY(1)H12 s(100.00%)	0.000851373	0.660430701 Hartree
79	RY(1)H13 s(100.00%)	0.001068070	0.674029891 Hartree
80	RY(1)H14 s(100.00%)	0.001041736	0.672307083 Hartree

Display Range		- / 80
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	4463	1.999997240	-10.170170313 Hartree
2	CR(1)C2	4464	1.999997134	-10.175623932 Hartree
3	CR(1)C3	4465	1.999997134	-10.175623932 Hartree
4	CR(1)C4	4466	1.999997240	-10.170170313 Hartree
5	BD(1)C1-C2	4467, 4468	1.991830014	-0.500263861 Hartree
6	BD(1)C1-H12	4469, 4470	1.990536383	-0.454648299 Hartree
7	BD(1)C1-H13	4471, 4472	1.991117578	-0.454143158 Hartree
8	BD(1)C1-H14	4473, 4474	1.991161387	-0.454139894 Hartree
9	BD(1)C2-C3	4475, 4476	1.986571795	-0.490133966 Hartree
10	BD(1)C2-H10	4477, 4478	1.984580645	-0.447474442 Hartree
11	BD(1)C2-H11	4479, 4480	1.984479671	-0.447772094 Hartree
12	BD(1)C3-C4	4481, 4482	1.991830014	-0.500263861 Hartree
13	BD(1)C3-H8	4483, 4484	1.984479671	-0.447772094 Hartree
14	BD(1)C3-H9	4485, 4486	1.984580645	-0.447474442 Hartree
15	BD(1)C4-H5	4487, 4488	1.990536383	-0.454648299 Hartree
16	BD(1)C4-H6	4489, 4490	1.991117578	-0.454143158 Hartree
17	BD(1)C4-H7	4491, 4492	1.991161387	-0.454139894 Hartree
18	BD*(1)C1-C2		0.005368857	0.400796181 Hartree
19	BD*(1)C1-H12		0.005584379	0.465198080 Hartree
20	BD*(1)C1-H13		0.007817856	0.459351133 Hartree
21	BD*(1)C1-H14		0.007874220	0.459927357 Hartree
22	BD*(1)C2-C3		0.015255352	0.385763150 Hartree
23	BD*(1)C2-H10		0.012569143	0.463715377 Hartree
24	BD*(1)C2-H11		0.010859872	0.468143148 Hartree
25	BD*(1)C3-C4		0.005368857	0.400796181 Hartree
26	BD*(1)C3-H8		0.010859872	0.468143148 Hartree
27	BD*(1)C3-H9		0.012569143	0.463715377 Hartree
28	BD*(1)C4-H5		0.005584379	0.465198080 Hartree
29	BD*(1)C4-H6		0.007817856	0.459351133 Hartree
30	BD*(1)C4-H7		0.007874220	0.459927357 Hartree
31	RY(1)C1	4493	0.001763975	0.932332640 Hartree
32	RY(2)C1	4494	0.001243072	1.014632991 Hartree
33	RY(3)C1	4495	0.000132161	1.610025036 Hartree
34	RY(4)C1	4496	0.000035637	1.077858567 Hartree
35	RY(5)C1	4497	0.000010020	1.838511767 Hartree
36	RY(6)C1	4498	0.000002893	1.841915219 Hartree
37	RY(7)C1	4499	0.000000617	1.800293566 Hartree
38	RY(8)C1	4500	0.000001550	1.850188205 Hartree
39	RY(9)C1	4501	0.000000221	2.098749431 Hartree
40	RY(10)C1	4502	0.000000001	3.548872836 Hartree
41	RY(1)C2	4503	0.003424649	0.991541689 Hartree
42	RY(2)C2	4504	0.001607235	0.925698059 Hartree
43	RY(3)C2	4505	0.000800511	0.992406849 Hartree
44	RY(4)C2	4506	0.000278782	1.824346230 Hartree
45	RY(5)C2	4507	0.000158400	2.082000804 Hartree
46	RY(6)C2	4508	0.000056770	2.062732563 Hartree
47	RY(7)C2	4509	0.000038090	1.741899804 Hartree
48	RY(8)C2	4510	0.000004044	2.325593102 Hartree
49	RY(9)C2	4511	0.000000011	3.263594136 Hartree
50	RY(10)C2	4512	0.000000537	2.051166787 Hartree
51	RY(1)C3	4513	0.003424649	0.991541689 Hartree
52	RY(2)C3	4514	0.001607235	0.925698059 Hartree
53	RY(3)C3	4515	0.000800511	0.992406849 Hartree
54	RY(4)C3	4516	0.000278782	1.824346230 Hartree
55	RY(5)C3	4517	0.000158400	2.082000806 Hartree
56	RY(6)C3	4518	0.000056770	2.062732564 Hartree
57	RY(7)C3	4519	0.000038090	1.741899805 Hartree
58	RY(8)C3	4520	0.000004044	2.325593105 Hartree
59	RY(9)C3	4521	0.000000011	3.263594137 Hartree
60	RY(10)C3	4522	0.000000537	2.051166782 Hartree
61	RY(1)C4	4523	0.001763975	0.932332640 Hartree
62	RY(2)C4	4524	0.001243072	1.014632991 Hartree
63	RY(3)C4	4525	0.000132161	1.610025044 Hartree
64	RY(4)C4	4526	0.000035637	1.077858567 Hartree
65	RY(5)C4	4527	0.000010020	1.838511766 Hartree
66	RY(6)C4	4528	0.000002893	1.841915222 Hartree
67	RY(7)C4	4529	0.000000617	1.800293563 Hartree
68	RY(8)C4	4530	0.000001550	1.850188205 Hartree
69	RY(9)C4	4531	0.000000221	2.098749467 Hartree
70	RY(10)C4	4532	0.000000001	3.548872816 Hartree
71	RY(1)H5	4533	0.000851373	0.660430701 Hartree
72	RY(1)H6	4534	0.001068070	0.674029891 Hartree
73	RY(1)H7	4535	0.001041736	0.672307083 Hartree
74	RY(1)H8	4536	0.001301986	0.661937696 Hartree
75	RY(1)H9	4537	0.001489706	0.696300437 Hartree
76	RY(1)H10	4538	0.001489706	0.696300437 Hartree
77	RY(1)H11	4539	0.001301986	0.661937696 Hartree
78	RY(1)H12	4540	0.000851373	0.660430701 Hartree
79	RY(1)H13	4541	0.001068070	0.674029891 Hartree
80	RY(1)H14	4542	0.001041736	0.672307083 Hartree

WE LEARN WISDOM FROM FAILURE MUCH MORE THAN FROM SUCCESS. WE DISCOVER WHAT WILL DO BY FINDING OUT WHAT WILL NOT DO... AND HE WHO NEVER MADE A MISTAKE NEVER MADE A DISCOVERY