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	-578.740163795 Hartree
Dipole Moment	2.3686 Debye
Server	batch (548924)
CPU time	40.1 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	25.8620245	0.86266428023
b	2.3303164	0.07773098815
c	2.2268525	0.07427980393

					Show all
Orbital	Symmetry	Occupancy	Spin	Energy	Actions
1	-	2	-	-101.52734 Ha
2	-	2	-	-10.24535 Ha
3	-	2	-	-10.19875 Ha
4	-	2	-	-10.18928 Ha
5	-	2	-	-9.44384 Ha
6	-	2	-	-7.2077 Ha
7	-	2	-	-7.19803 Ha
8	-	2	-	-7.19794 Ha
9	-	2	-	-0.85104 Ha
10	-	2	-	-0.77541 Ha
11	-	2	-	-0.67312 Ha
12	-	2	-	-0.60145 Ha
13	-	2	-	-0.48688 Ha
14	-	2	-	-0.4439 Ha
15	-	2	-	-0.42574 Ha
16	-	2	-	-0.41531 Ha
17	-	2	-	-0.36726 Ha
18	-	2	-	-0.36058 Ha
19	-	2	-	-0.35044 Ha
20	-	2	-	-0.29056 Ha
21	-	2	-	-0.29044 Ha
22	-	0	-	0.02676 Ha
23	-	0	-	0.09388 Ha
24	-	0	-	0.12477 Ha
25	-	0	-	0.12794 Ha
26	-	0	-	0.14615 Ha
27	-	0	-	0.17013 Ha
28	-	0	-	0.17274 Ha
29	-	0	-	0.18292 Ha
30	-	0	-	0.21438 Ha
31	-	0	-	0.23406 Ha
32	-	0	-	0.40179 Ha
33	-	0	-	0.43964 Ha
34	-	0	-	0.4656 Ha
35	-	0	-	0.46961 Ha
36	-	0	-	0.51071 Ha
37	-	0	-	0.51628 Ha
38	-	0	-	0.53037 Ha
39	-	0	-	0.57824 Ha
40	-	0	-	0.58693 Ha
41	-	0	-	0.64911 Ha
42	-	0	-	0.68961 Ha
43	-	0	-	0.71015 Ha
44	-	0	-	0.79261 Ha
45	-	0	-	0.84314 Ha
46	-	0	-	0.86131 Ha
47	-	0	-	0.86718 Ha
48	-	0	-	0.89452 Ha
49	-	0	-	0.89638 Ha
50	-	0	-	0.90387 Ha
51	-	0	-	0.915 Ha
52	-	0	-	0.92926 Ha
53	-	0	-	0.96007 Ha
54	-	0	-	1.00232 Ha
55	-	0	-	1.0083 Ha
56	-	0	-	1.10175 Ha
57	-	0	-	1.15142 Ha
58	-	0	-	1.378 Ha
59	-	0	-	1.46291 Ha
60	-	0	-	1.50636 Ha
61	-	0	-	1.59702 Ha
62	-	0	-	1.73327 Ha
63	-	0	-	1.87384 Ha
64	-	0	-	1.90614 Ha
65	-	0	-	1.94648 Ha
66	-	0	-	2.00676 Ha
67	-	0	-	2.0558 Ha
68	-	0	-	2.1929 Ha
69	-	0	-	2.20947 Ha
70	-	0	-	2.31371 Ha
71	-	0	-	2.36644 Ha
72	-	0	-	2.38517 Ha
73	-	0	-	2.55073 Ha
74	-	0	-	2.66635 Ha
75	-	0	-	4.08862 Ha
76	-	0	-	4.2216 Ha
77	-	0	-	4.30981 Ha
78	-	0	-	4.44609 Ha
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.68526
2	C	-0.48212
3	C	-0.41968
4	Cl	-0.10012
5	H	0.24684
6	H	0.24684
7	H	0.24504
8	H	0.24504
9	H	0.24325
10	H	0.23009
11	H	0.23009

					Show all
Orbital	Description	Occupancy	Spin	Energy	Actions
1	C1 Cor(1s)	1.999994544	-	-10.189240178 Hartree
2	C1 Val(2s)	1.110842875	-	-0.197791363 Hartree
3	C1 Ryd(3s)	0.000327925	-	1.245688313 Hartree
4	C1 Ryd(4s)	0.000026206	-	4.227050606 Hartree
5	C1 Val(2p)	1.088104829	-	-0.065956994 Hartree
6	C1 Ryd(3p)	0.001085763	-	0.570494518 Hartree
7	C1 Val(2p)	1.236048499	-	-0.089009780 Hartree
8	C1 Ryd(3p)	0.001746098	-	0.663121781 Hartree
9	C1 Val(2p)	1.241844531	-	-0.090325864 Hartree
10	C1 Ryd(3p)	0.001097145	-	0.639940036 Hartree
11	C1 Ryd(3d)	0.001013389	-	2.077853556 Hartree
12	C1 Ryd(3d)	0.000312718	-	1.855573215 Hartree
13	C1 Ryd(3d)	0.001358852	-	2.108246706 Hartree
14	C1 Ryd(3d)	0.000532078	-	2.018601010 Hartree
15	C1 Ryd(3d)	0.000924583	-	2.072221082 Hartree
16	C2 Cor(1s)	1.999994377	-	-10.198705120 Hartree
17	C2 Val(2s)	1.052747339	-	-0.182050286 Hartree
18	C2 Ryd(3s)	0.000942250	-	1.335337659 Hartree
19	C2 Ryd(4s)	0.000049258	-	4.304782025 Hartree
20	C2 Val(2p)	1.035389684	-	-0.060751082 Hartree
21	C2 Ryd(3p)	0.002313273	-	0.612560131 Hartree
22	C2 Val(2p)	1.127093157	-	-0.076211254 Hartree
23	C2 Ryd(3p)	0.000880807	-	0.597392045 Hartree
24	C2 Val(2p)	1.255100187	-	-0.092153170 Hartree
25	C2 Ryd(3p)	0.003478396	-	0.770585940 Hartree
26	C2 Ryd(3d)	0.000837524	-	2.139897066 Hartree
27	C2 Ryd(3d)	0.000389692	-	1.878624978 Hartree
28	C2 Ryd(3d)	0.001483964	-	2.143868122 Hartree
29	C2 Ryd(3d)	0.000537034	-	2.065515842 Hartree
30	C2 Ryd(3d)	0.000878906	-	2.090448444 Hartree
31	C3 Cor(1s)	1.999994262	-	-10.245311841 Hartree
32	C3 Val(2s)	1.118244486	-	-0.253843174 Hartree
33	C3 Ryd(3s)	0.000702559	-	1.221944332 Hartree
34	C3 Ryd(4s)	0.000044818	-	4.199424416 Hartree
35	C3 Val(2p)	0.877259155	-	-0.129109074 Hartree
36	C3 Ryd(3p)	0.002984559	-	0.682509669 Hartree
37	C3 Val(2p)	1.139416229	-	-0.103107278 Hartree
38	C3 Ryd(3p)	0.001966250	-	0.586303982 Hartree
39	C3 Val(2p)	1.270345664	-	-0.118681872 Hartree
40	C3 Ryd(3p)	0.002179472	-	0.702019572 Hartree
41	C3 Ryd(3d)	0.001185718	-	2.032360955 Hartree
42	C3 Ryd(3d)	0.000677909	-	1.773292372 Hartree
43	C3 Ryd(3d)	0.001795696	-	2.141333245 Hartree
44	C3 Ryd(3d)	0.001586335	-	1.896849183 Hartree
45	C3 Ryd(3d)	0.001299778	-	1.992555882 Hartree
46	Cl4 Cor(1s)	1.999999994	-	-101.438888471 Hartree
47	Cl4 Cor(2s)	1.999996219	-	-9.532004796 Hartree
48	Cl4 Val(3s)	1.867045521	-	-0.712031222 Hartree
49	Cl4 Ryd(4s)	0.002559808	-	0.580155749 Hartree
50	Cl4 Ryd(5s)	0.000000716	-	4.251270695 Hartree
51	Cl4 Cor(2p)	1.999990954	-	-7.206989889 Hartree
52	Cl4 Val(3p)	1.309420424	-	-0.252390551 Hartree
53	Cl4 Ryd(4p)	0.003197930	-	0.491141948 Hartree
54	Cl4 Cor(2p)	1.999997631	-	-7.198687645 Hartree
55	Cl4 Val(3p)	1.925033013	-	-0.293842891 Hartree
56	Cl4 Ryd(4p)	0.001514566	-	0.505062170 Hartree
57	Cl4 Cor(2p)	1.999998562	-	-7.197891093 Hartree
58	Cl4 Val(3p)	1.981892387	-	-0.298253813 Hartree
59	Cl4 Ryd(4p)	0.001538352	-	0.500797151 Hartree
60	Cl4 Ryd(3d)	0.001949240	-	0.997799536 Hartree
61	Cl4 Ryd(3d)	0.001154180	-	0.978939658 Hartree
62	Cl4 Ryd(3d)	0.000166326	-	0.898710638 Hartree
63	Cl4 Ryd(3d)	0.003328621	-	1.084232294 Hartree
64	Cl4 Ryd(3d)	0.001330913	-	0.966352156 Hartree
65	H5 Val(1s)	0.751210399	-	0.093648416 Hartree
66	H5 Ryd(2s)	0.001951155	-	0.619693364 Hartree
67	H6 Val(1s)	0.751210399	-	0.093648416 Hartree
68	H6 Ryd(2s)	0.001951155	-	0.619693364 Hartree
69	H7 Val(1s)	0.753169250	-	0.101538761 Hartree
70	H7 Ryd(2s)	0.001794019	-	0.653450402 Hartree
71	H8 Val(1s)	0.753169250	-	0.101538761 Hartree
72	H8 Ryd(2s)	0.001794019	-	0.653450402 Hartree
73	H9 Val(1s)	0.756081932	-	0.098379710 Hartree
74	H9 Ryd(2s)	0.000669297	-	0.644726282 Hartree
75	H10 Val(1s)	0.768887214	-	0.089675652 Hartree
76	H10 Ryd(2s)	0.001025282	-	0.654608489 Hartree
77	H11 Val(1s)	0.768887214	-	0.089675652 Hartree
78	H11 Ryd(2s)	0.001025282	-	0.654608489 Hartree

					Show all
Orbital	Description	Occupancy	Spin	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999994544	-	-10.189240178 Hartree
2	CR(1)C2 s(100.00%)	1.999994377	-	-10.198705120 Hartree
3	CR(1)C3 s(100.00%)	1.999994262	-	-10.245311841 Hartree
4	CR(1)Cl4 s(100.00%)	1.999999994	-	-101.438888471 Hartree
5	CR(2)Cl4 s(100.00%)	1.999996219	-	-9.532004796 Hartree
6	CR(3)Cl4 s(0.00%)p1.00(100.00%)	1.999990954	-	-7.206989889 Hartree
7	CR(4)Cl4 s(0.00%)p1.00(100.00%)	1.999997631	-	-7.198687645 Hartree
8	CR(5)Cl4 s(0.00%)p1.00(100.00%)	1.999998562	-	-7.197891093 Hartree
9	LP(1)Cl4 s(84.82%)p0.18(15.17%)d0.00(0.01%)	1.996794227	-	-0.677806080 Hartree
10	LP(2)Cl4 s(0.00%)p1.00(99.98%)d0.00(0.02%)	1.982717053	-	-0.298387502 Hartree
11	LP(3)Cl4 s(0.13%)p99.99(99.85%)d0.13(0.02%)	1.977586370	-	-0.298330795 Hartree
12	BD(1)C1(C2) 1s(28.37%)p2.52(71.58%)d0.00(0.05%)	0.984943782	-	-0.070170311 Hartree
13	BD(1)C2(C1) 2s(27.20%)p2.67(72.75%)d0.00(0.05%)	1.005929042	-	-0.075140199 Hartree
14	BD(1)C1(H9) 1s(23.94%)p3.17(75.97%)d0.00(0.08%)	1.236403015	-	-0.117456973 Hartree
15	BD(1)H9(C1) 9s(100.00%)	0.756081878	-	0.098536799 Hartree
16	BD(1)C1(H10) 1s(23.84%)p3.19(76.08%)d0.00(0.09%)	1.230102548	-	-0.119304483 Hartree
17	BD(1)H10(C1) 10s(100.00%)	0.768886098	-	0.090379013 Hartree
18	BD(1)C1(H11) 1s(23.84%)p3.19(76.08%)d0.00(0.09%)	1.230102548	-	-0.119304483 Hartree
19	BD(1)H11(C1) 11s(100.00%)	0.768886098	-	0.090379013 Hartree
20	BD(1)C2(C3) 2s(26.55%)p2.76(73.39%)d0.00(0.06%)	0.985753662	-	-0.077554577 Hartree
21	BD(1)C3(C2) 3s(31.49%)p2.17(68.46%)d0.00(0.05%)	1.025108502	-	-0.101059159 Hartree
22	BD(1)C2(H7) 2s(23.15%)p3.32(76.77%)d0.00(0.09%)	1.241777260	-	-0.119348333 Hartree
23	BD(1)H7(C2) 7s(100.00%)	0.753162727	-	0.103277557 Hartree
24	BD(1)C2(H8) 2s(23.15%)p3.32(76.77%)d0.00(0.09%)	1.241777260	-	-0.119348333 Hartree
25	BD(1)H8(C2) 8s(100.00%)	0.753162727	-	0.103277557 Hartree
26	BD(1)C3(Cl4) 3s(16.64%)p5.00(83.15%)d0.01(0.22%)	0.872337757	-	-0.183080565 Hartree
27	BD(1)Cl4(C3) 4s(15.21%)p5.55(84.34%)d0.03(0.45%)	1.138523447	-	-0.267044149 Hartree
28	BD(1)C3(H5) 3s(25.94%)p2.85(73.97%)d0.00(0.09%)	1.256439386	-	-0.150940860 Hartree
29	BD(1)H5(C3) 5s(100.00%)	0.751193407	-	0.096479695 Hartree
30	BD(1)C3(H6) 3s(25.94%)p2.85(73.97%)d0.00(0.09%)	1.256439386	-	-0.150940860 Hartree
31	BD(1)H6(C3) 6s(100.00%)	0.751193407	-	0.096479695 Hartree
32	RY(1)C1 s(4.12%)p20.83(85.93%)d2.41(9.95%)	0.002091447	-	0.891716064 Hartree
33	RY(2)C1 s(0.00%)p1.00(81.04%)d0.23(18.96%)	0.001332404	-	0.955398469 Hartree
34	RY(3)C1 s(73.18%)p0.02(1.77%)d0.34(25.05%)	0.000174675	-	1.682366762 Hartree
35	RY(4)C1 s(4.26%)p22.25(94.87%)d0.20(0.87%)	0.000093188	-	0.640834638 Hartree
36	RY(5)C1 s(0.00%)p1.00(6.56%)d14.24(93.44%)	0.000011164	-	1.757603105 Hartree
37	RY(6)C1 s(17.23%)p0.64(11.08%)d4.16(71.69%)	0.000008529	-	1.612871330 Hartree
38	RY(7)C1 s(31.09%)p0.08(2.45%)d2.14(66.46%)	0.000001632	-	2.686274378 Hartree
39	RY(8)C1 s(0.00%)p1.00(12.52%)d6.99(87.48%)	0.000000008	-	1.885720884 Hartree
40	RY(9)C1 s(48.15%)p0.06(2.85%)d1.02(49.00%)	0.000000480	-	3.084509615 Hartree
41	RY(10)C1 s(21.97%)p0.06(1.22%)d3.49(76.80%)	0.000000070	-	2.264647830 Hartree
42	RY(1)C2 s(0.00%)p1.00(89.71%)d0.11(10.29%)	0.003208446	-	0.999417495 Hartree
43	RY(2)C2 s(3.55%)p26.48(93.87%)d0.73(2.58%)	0.002086661	-	0.687743593 Hartree
44	RY(3)C2 s(25.68%)p1.90(48.74%)d1.00(25.58%)	0.000814668	-	1.191394385 Hartree
45	RY(4)C2 s(35.42%)p0.73(26.02%)d1.09(38.56%)	0.000373680	-	1.493346604 Hartree
46	RY(5)C2 s(0.00%)p1.00(0.33%)d99.99(99.67%)	0.000173876	-	1.841081096 Hartree
47	RY(6)C2 s(26.19%)p0.46(12.05%)d2.36(61.76%)	0.000145812	-	2.340764423 Hartree
48	RY(7)C2 s(24.96%)p0.77(19.31%)d2.23(55.72%)	0.000055802	-	2.119104933 Hartree
49	RY(8)C2 s(0.00%)p1.00(10.08%)d8.92(89.92%)	0.000024355	-	1.948245622 Hartree
50	RY(9)C2 s(75.85%)p0.00(0.11%)d0.32(24.03%)	0.000000785	-	3.397415130 Hartree
51	RY(10)C2 s(8.31%)p0.01(0.09%)d11.02(91.60%)	0.000000159	-	1.900724620 Hartree
52	RY(1)C3 s(0.84%)p97.82(81.69%)d20.93(17.48%)	0.003394929	-	0.883500211 Hartree
53	RY(2)C3 s(0.00%)p1.00(80.33%)d0.24(19.67%)	0.002535486	-	0.854639561 Hartree
54	RY(3)C3 s(1.73%)p47.46(81.97%)d9.44(16.30%)	0.002010560	-	0.892121119 Hartree
55	RY(4)C3 s(68.72%)p0.13(8.66%)d0.33(22.62%)	0.000661044	-	1.364942792 Hartree
56	RY(5)C3 s(0.00%)p1.00(3.47%)d27.86(96.53%)	0.000588803	-	2.111801599 Hartree
57	RY(6)C3 s(30.49%)p0.24(7.39%)d2.04(62.12%)	0.000121511	-	1.760446100 Hartree
58	RY(7)C3 s(10.26%)p1.55(15.88%)d7.20(73.86%)	0.000040276	-	1.911326024 Hartree
59	RY(8)C3 s(0.00%)p1.00(16.33%)d5.12(83.67%)	0.000009620	-	1.644639102 Hartree
60	RY(9)C3 s(84.51%)p0.03(2.49%)d0.15(13.00%)	0.000001248	-	3.690999715 Hartree
61	RY(10)C3 s(3.45%)p0.65(2.25%)d27.32(94.30%)	0.000000120	-	2.095457432 Hartree
62	RY(1)Cl4 s(0.00%)p1.00(51.09%)d0.96(48.91%)	0.002009160	-	0.655348507 Hartree
63	RY(2)Cl4 s(0.77%)p64.39(49.53%)d64.61(49.70%)	0.001930129	-	0.665196156 Hartree
64	RY(3)Cl4 s(23.69%)p2.17(51.48%)d1.05(24.83%)	0.000514749	-	0.538507413 Hartree
65	RY(4)Cl4 s(0.00%)p1.00(1.82%)d54.01(98.18%)	0.000023238	-	0.897917605 Hartree
66	RY(5)Cl4 s(6.48%)p4.35(28.20%)d10.08(65.32%)	0.000021901	-	0.868038328 Hartree
67	RY(6)Cl4 s(50.86%)p0.24(12.29%)d0.72(36.84%)	0.000008951	-	0.892402513 Hartree
68	RY(7)Cl4 s(0.00%)p1.00(47.10%)d1.12(52.90%)	0.000001794	-	0.825315024 Hartree
69	RY(8)Cl4 s(18.39%)p2.38(43.75%)d2.06(37.86%)	0.000000280	-	0.741282546 Hartree
70	RY(9)Cl4 s(78.50%)p0.06(4.77%)d0.21(16.73%)	0.000000070	-	3.554697775 Hartree
71	RY(10)Cl4 s(21.14%)p0.50(10.63%)d3.23(68.23%)	0.000000629	-	1.600806176 Hartree
72	RY(1)H5 s(100.00%)	0.001968147	-	0.616862085 Hartree
73	RY(1)H6 s(100.00%)	0.001968147	-	0.616862085 Hartree
74	RY(1)H7 s(100.00%)	0.001800543	-	0.651711606 Hartree
75	RY(1)H8 s(100.00%)	0.001800543	-	0.651711606 Hartree
76	RY(1)H9 s(100.00%)	0.000669351	-	0.644569193 Hartree
77	RY(1)H10 s(100.00%)	0.001026398	-	0.653905128 Hartree
78	RY(1)H11 s(100.00%)	0.001026398	-	0.653905128 Hartree

					Show all
Orbital	Description	NHOs	Occupancy	Spin	Energy	Actions
1	CR(1)C1	60	1.999994544	-	-10.189240178 Hartree
2	CR(1)C2	61	1.999994377	-	-10.198705120 Hartree
3	CR(1)C3	62	1.999994262	-	-10.245311841 Hartree
4	CR(1)Cl4	63	1.999999994	-	-101.438888471 Hartree
5	CR(2)Cl4	64	1.999996219	-	-9.532004796 Hartree
6	CR(3)Cl4	65	1.999990954	-	-7.206989889 Hartree
7	CR(4)Cl4	66	1.999997631	-	-7.198687645 Hartree
8	CR(5)Cl4	67	1.999998562	-	-7.197891093 Hartree
9	LP(1)Cl4	68	1.996794227	-	-0.677806080 Hartree
10	LP(2)Cl4	69	1.982717053	-	-0.298387502 Hartree
11	LP(3)Cl4	70	1.977586370	-	-0.298330795 Hartree
12	BD(1)C1-C2	71, 72	1.982073280	-	-0.521778028 Hartree
13	BD(1)C1-H9	73, 74	1.987845106	-	-0.471691001 Hartree
14	BD(1)C1-H10	75, 76	1.991428049	-	-0.473133180 Hartree
15	BD(1)C1-H11	77, 78	1.991428049	-	-0.473133180 Hartree
16	BD(1)C2-C3	79, 80	1.991222534	-	-0.549947195 Hartree
17	BD(1)C2-H7	81, 82	1.981285866	-	-0.468379918 Hartree
18	BD(1)C2-H8	83, 84	1.981285866	-	-0.468379918 Hartree
19	BD(1)C3-Cl4	85, 86	1.991668479	-	-0.559379901 Hartree
20	BD(1)C3-H5	87, 88	1.989880739	-	-0.504082507 Hartree
21	BD(1)C3-H6	89, 90	1.989880739	-	-0.504082507 Hartree
22	BD*(1)C1-C2		0.008799544	-	0.376467518 Hartree
23	BD*(1)C1-H9		0.004639787	-	0.452770827 Hartree
24	BD*(1)C1-H10		0.007560597	-	0.444207710 Hartree
25	BD*(1)C1-H11		0.007560597	-	0.444207710 Hartree
26	BD*(1)C2-C3		0.019639630	-	0.371333460 Hartree
27	BD*(1)C2-H7		0.013654122	-	0.452309143 Hartree
28	BD*(1)C2-H8		0.013654122	-	0.452309143 Hartree
29	BD*(1)C3-Cl4		0.019192725	-	0.109255187 Hartree
30	BD*(1)C3-H5		0.017752055	-	0.449621341 Hartree
31	BD*(1)C3-H6		0.017752055	-	0.449621341 Hartree
32	RY(1)C1	91	0.002091447	-	0.891716064 Hartree
33	RY(2)C1	92	0.001332404	-	0.955398469 Hartree
34	RY(3)C1	93	0.000174675	-	1.682366762 Hartree
35	RY(4)C1	94	0.000093188	-	0.640834638 Hartree
36	RY(5)C1	95	0.000011164	-	1.757603105 Hartree
37	RY(6)C1	96	0.000008529	-	1.612871330 Hartree
38	RY(7)C1	97	0.000001632	-	2.686274378 Hartree
39	RY(8)C1	98	0.000000008	-	1.885720884 Hartree
40	RY(9)C1	99	0.000000480	-	3.084509615 Hartree
41	RY(10)C1	100	0.000000070	-	2.264647830 Hartree
42	RY(1)C2	101	0.003208446	-	0.999417495 Hartree
43	RY(2)C2	102	0.002086661	-	0.687743593 Hartree
44	RY(3)C2	103	0.000814668	-	1.191394385 Hartree
45	RY(4)C2	104	0.000373680	-	1.493346604 Hartree
46	RY(5)C2	105	0.000173876	-	1.841081096 Hartree
47	RY(6)C2	106	0.000145812	-	2.340764423 Hartree
48	RY(7)C2	107	0.000055802	-	2.119104933 Hartree
49	RY(8)C2	108	0.000024355	-	1.948245622 Hartree
50	RY(9)C2	109	0.000000785	-	3.397415130 Hartree
51	RY(10)C2	110	0.000000159	-	1.900724620 Hartree
52	RY(1)C3	111	0.003394929	-	0.883500211 Hartree
53	RY(2)C3	112	0.002535486	-	0.854639561 Hartree
54	RY(3)C3	113	0.002010560	-	0.892121119 Hartree
55	RY(4)C3	114	0.000661044	-	1.364942792 Hartree
56	RY(5)C3	115	0.000588803	-	2.111801599 Hartree
57	RY(6)C3	116	0.000121511	-	1.760446100 Hartree
58	RY(7)C3	117	0.000040276	-	1.911326024 Hartree
59	RY(8)C3	118	0.000009620	-	1.644639102 Hartree
60	RY(9)C3	119	0.000001248	-	3.690999715 Hartree
61	RY(10)C3	120	0.000000120	-	2.095457432 Hartree
62	RY(1)Cl4	121	0.002009160	-	0.655348507 Hartree
63	RY(2)Cl4	122	0.001930129	-	0.665196156 Hartree
64	RY(3)Cl4	123	0.000514749	-	0.538507413 Hartree
65	RY(4)Cl4	124	0.000023238	-	0.897917605 Hartree
66	RY(5)Cl4	125	0.000021901	-	0.868038328 Hartree
67	RY(6)Cl4	126	0.000008951	-	0.892402513 Hartree
68	RY(7)Cl4	127	0.000001794	-	0.825315024 Hartree
69	RY(8)Cl4	128	0.000000280	-	0.741282546 Hartree
70	RY(9)Cl4	129	0.000000070	-	3.554697775 Hartree
71	RY(10)Cl4	130	0.000000629	-	1.600806176 Hartree
72	RY(1)H5	131	0.001968147	-	0.616862085 Hartree
73	RY(1)H6	132	0.001968147	-	0.616862085 Hartree
74	RY(1)H7	133	0.001800543	-	0.651711606 Hartree
75	RY(1)H8	134	0.001800543	-	0.651711606 Hartree
76	RY(1)H9	135	0.000669351	-	0.644569193 Hartree
77	RY(1)H10	136	0.001026398	-	0.653905128 Hartree
78	RY(1)H11	137	0.001026398	-	0.653905128 Hartree

ABOVE ALL I AM AN OPTIMIST FOR NUMBER THEORY, AND I HOLD THE HOPE THAT WE MAY NOT BE FAR FROM A TIME WHEN IRREFUTABLE ARITHMETIC WILL CELEBRATE ITS TRIUMPHS IN PHYSICS AND CHEMISTRY. -- HERMANN MINKOWSKI, 1905