WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	F4S
Symmetry	C2V
Basis	6-31G(d)
RB3LYP Energy	-797.4595247 Hartree
Dipole Moment	0.8855 Debye
Server	batch (467496)
CPU time	15.5 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	6.3062832	0.21035496497
b	3.9614293	0.13213905801
c	3.0817724	0.10279686222

Display Range		- / 79
Orbital	Symmetry	Occupancy	Energy	Actions
1	A1	2	-89.19357 Hartree
2	A1	2	-24.77405 Hartree
3	B2	2	-24.77405 Hartree
4	A1	2	-24.70212 Hartree
5	B1	2	-24.70212 Hartree
6	A1	2	-8.21384 Hartree
7	B2	2	-6.17946 Hartree
8	B1	2	-6.17805 Hartree
9	A1	2	-6.17181 Hartree
10	A1	2	-1.32222 Hartree
11	B2	2	-1.26048 Hartree
12	B1	2	-1.19440 Hartree
13	A1	2	-1.17966 Hartree
14	A1	2	-0.78965 Hartree
15	B2	2	-0.61597 Hartree
16	B1	2	-0.59430 Hartree
17	A1	2	-0.57943 Hartree
18	A2	2	-0.50832 Hartree
19	A1	2	-0.49114 Hartree
20	B1	2	-0.47588 Hartree
21	B2	2	-0.47358 Hartree
22	A1	2	-0.42570 Hartree
23	B2	2	-0.41709 Hartree
24	B1	2	-0.40575 Hartree
25	A2	2	-0.39771 Hartree
26	A1	2	-0.34279 Hartree
27	B2	0	-0.07938 Hartree
28	A1	0	-0.00769 Hartree
29	B1	0	0.05864 Hartree
30	A1	0	0.25351 Hartree
31	B2	0	0.29956 Hartree
32	B1	0	0.30260 Hartree
33	A1	0	0.30586 Hartree
34	A2	0	0.54171 Hartree
35	B1	0	0.56903 Hartree
36	A1	0	0.57829 Hartree
37	B2	0	0.80853 Hartree
38	A1	0	0.84302 Hartree
39	A1	0	1.07953 Hartree
40	A2	0	1.09456 Hartree
41	B2	0	1.10547 Hartree
42	B1	0	1.12455 Hartree
43	A1	0	1.12693 Hartree
44	A1	0	1.17992 Hartree
45	B2	0	1.18733 Hartree
46	B1	0	1.19761 Hartree
47	A1	0	1.29227 Hartree
48	B2	0	1.30479 Hartree
49	A2	0	1.34392 Hartree
50	B1	0	1.41902 Hartree
51	B2	0	1.44837 Hartree
52	A1	0	1.45631 Hartree
53	A1	0	1.73007 Hartree
54	A2	0	1.73326 Hartree
55	B1	0	1.73721 Hartree
56	B2	0	1.74130 Hartree
57	B1	0	1.76637 Hartree
58	A2	0	1.79790 Hartree
59	B2	0	1.80365 Hartree
60	A1	0	1.83031 Hartree
61	B2	0	1.84573 Hartree
62	B1	0	1.85311 Hartree
63	A1	0	1.96423 Hartree
64	A1	0	1.97148 Hartree
65	B1	0	1.98566 Hartree
66	A2	0	1.99010 Hartree
67	B2	0	1.99613 Hartree
68	A2	0	2.03690 Hartree
69	B1	0	2.04304 Hartree
70	A1	0	2.14840 Hartree
71	B1	0	2.37923 Hartree
72	A1	0	2.42510 Hartree
73	B2	0	2.72811 Hartree
74	A1	0	2.80277 Hartree
75	A1	0	3.77380 Hartree
76	B2	0	3.89114 Hartree
77	A1	0	4.08391 Hartree
78	B1	0	4.37769 Hartree
79	A1	0	4.90073 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	S	1.98633
2	F	-0.45599
3	F	-0.53718
4	F	-0.53718
5	F	-0.45599

Display Range		- / 79
Orbital	Description	Occupancy	Energy	Actions
1	S1 Cor(1s)	1.999999809	-88.719269774 Hartree
2	S1 Cor(2s)	1.999988477	-8.686824204 Hartree
3	S1 Val(3s)	1.691492859	-0.674419336 Hartree
4	S1 Ryd(4s)	0.021256169	0.605063938 Hartree
5	S1 Ryd(5s)	0.000010882	4.039478086 Hartree
6	S1 Cor(2p)	1.999977404	-6.177918019 Hartree
7	S1 Val(3p)	0.600543453	-0.183863278 Hartree
8	S1 Ryd(4p)	0.008468421	0.394118812 Hartree
9	S1 Cor(2p)	1.999973456	-6.179339375 Hartree
10	S1 Val(3p)	0.541869035	-0.238153934 Hartree
11	S1 Ryd(4p)	0.012535791	0.332058225 Hartree
12	S1 Cor(2p)	1.999983050	-6.172520353 Hartree
13	S1 Val(3p)	1.033921076	-0.276198335 Hartree
14	S1 Ryd(4p)	0.007674349	0.347323195 Hartree
15	S1 Ryd(3d)	0.017302570	0.706971122 Hartree
16	S1 Ryd(3d)	0.015696575	0.716129085 Hartree
17	S1 Ryd(3d)	0.015299981	0.921281280 Hartree
18	S1 Ryd(3d)	0.029672396	0.936901790 Hartree
19	S1 Ryd(3d)	0.018005054	0.760606420 Hartree
20	F2 Cor(1s)	1.999998948	-24.774022820 Hartree
21	F2 Val(2s)	1.929258607	-1.166563126 Hartree
22	F2 Ryd(3s)	0.001145268	2.172565230 Hartree
23	F2 Ryd(4s)	0.000347073	3.275633738 Hartree
24	F2 Val(2p)	1.965757995	-0.471885548 Hartree
25	F2 Ryd(3p)	0.000712947	1.266730009 Hartree
26	F2 Val(2p)	1.743558899	-0.485967392 Hartree
27	F2 Ryd(3p)	0.000206083	1.636681041 Hartree
28	F2 Val(2p)	1.804474410	-0.481509727 Hartree
29	F2 Ryd(3p)	0.000404946	1.383595413 Hartree
30	F2 Ryd(3d)	0.001593177	1.824128219 Hartree
31	F2 Ryd(3d)	0.001060127	1.804744512 Hartree
32	F2 Ryd(3d)	0.003402100	2.134524846 Hartree
33	F2 Ryd(3d)	0.002059911	1.936048311 Hartree
34	F2 Ryd(3d)	0.002004580	1.836698610 Hartree
35	F3 Cor(1s)	1.999999175	-24.702101283 Hartree
36	F3 Val(2s)	1.944262301	-1.109398136 Hartree
37	F3 Ryd(3s)	0.000991274	1.666688864 Hartree
38	F3 Ryd(4s)	0.000138414	3.767393085 Hartree
39	F3 Val(2p)	1.688288338	-0.426314221 Hartree
40	F3 Ryd(3p)	0.000422678	1.698538798 Hartree
41	F3 Val(2p)	1.931162907	-0.411154290 Hartree
42	F3 Ryd(3p)	0.000312309	1.267014021 Hartree
43	F3 Val(2p)	1.964558059	-0.412017041 Hartree
44	F3 Ryd(3p)	0.000281752	1.279192010 Hartree
45	F3 Ryd(3d)	0.001801442	1.882531313 Hartree
46	F3 Ryd(3d)	0.001764783	1.883075999 Hartree
47	F3 Ryd(3d)	0.000043910	1.856509764 Hartree
48	F3 Ryd(3d)	0.002321799	2.119746572 Hartree
49	F3 Ryd(3d)	0.000830384	1.927398449 Hartree
50	F4 Cor(1s)	1.999999175	-24.702101283 Hartree
51	F4 Val(2s)	1.944262301	-1.109398136 Hartree
52	F4 Ryd(3s)	0.000991274	1.666688864 Hartree
53	F4 Ryd(4s)	0.000138414	3.767393085 Hartree
54	F4 Val(2p)	1.688288338	-0.426314221 Hartree
55	F4 Ryd(3p)	0.000422678	1.698538798 Hartree
56	F4 Val(2p)	1.931162907	-0.411154290 Hartree
57	F4 Ryd(3p)	0.000312309	1.267014021 Hartree
58	F4 Val(2p)	1.964558059	-0.412017041 Hartree
59	F4 Ryd(3p)	0.000281752	1.279192010 Hartree
60	F4 Ryd(3d)	0.001801442	1.882531313 Hartree
61	F4 Ryd(3d)	0.001764783	1.883075999 Hartree
62	F4 Ryd(3d)	0.000043910	1.856509764 Hartree
63	F4 Ryd(3d)	0.002321799	2.119746572 Hartree
64	F4 Ryd(3d)	0.000830384	1.927398449 Hartree
65	F5 Cor(1s)	1.999998948	-24.774022820 Hartree
66	F5 Val(2s)	1.929258607	-1.166563126 Hartree
67	F5 Ryd(3s)	0.001145268	2.172565230 Hartree
68	F5 Ryd(4s)	0.000347073	3.275633738 Hartree
69	F5 Val(2p)	1.965757995	-0.471885548 Hartree
70	F5 Ryd(3p)	0.000712947	1.266730009 Hartree
71	F5 Val(2p)	1.743558899	-0.485967392 Hartree
72	F5 Ryd(3p)	0.000206083	1.636681041 Hartree
73	F5 Val(2p)	1.804474410	-0.481509727 Hartree
74	F5 Ryd(3p)	0.000404946	1.383595413 Hartree
75	F5 Ryd(3d)	0.001593177	1.824128219 Hartree
76	F5 Ryd(3d)	0.001060127	1.804744512 Hartree
77	F5 Ryd(3d)	0.003402100	2.134524846 Hartree
78	F5 Ryd(3d)	0.002059911	1.936048311 Hartree
79	F5 Ryd(3d)	0.002004580	1.836698610 Hartree

Display Range		- / 79
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)S1 s(100.00%)	1.999999809	-88.719269774 Hartree
2	CR(2)S1 s(100.00%)	1.999988477	-8.686824204 Hartree
3	CR(3)S1 s(0.00%)p1.00(100.00%)	1.999977404	-6.177918019 Hartree
4	CR(4)S1 s(0.00%)p1.00(100.00%)	1.999973456	-6.179339375 Hartree
5	CR(5)S1 s(0.00%)p1.00(100.00%)	1.999983050	-6.172520353 Hartree
6	CR(1)F2 s(100.00%)	1.999998948	-24.774022820 Hartree
7	CR(1)F3 s(100.00%)	1.999999175	-24.702101283 Hartree
8	CR(1)F4 s(100.00%)	1.999999175	-24.702101283 Hartree
9	CR(1)F5 s(100.00%)	1.999998948	-24.774022820 Hartree
10	LP(1)S1 s(75.78%)p0.32(24.11%)d0.00(0.10%)	1.997912048	-0.636315134 Hartree
11	LP(1)F2 s(84.39%)p0.18(15.61%)d0.00(0.00%)	1.997870589	-1.037308602 Hartree
12	LP(2)F2 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.968120164	-0.473500406 Hartree
13	LP(3)F2 s(0.31%)p99.99(99.55%)d0.43(0.14%)	1.933306502	-0.477638092 Hartree
14	LP(1)F3 s(81.39%)p0.23(18.60%)d0.00(0.01%)	1.997709452	-0.964171967 Hartree
15	LP(2)F3 s(4.15%)p23.08(95.77%)d0.02(0.08%)	1.964614828	-0.441075965 Hartree
16	LP(3)F3 s(0.00%)p1.00(99.91%)d0.00(0.09%)	1.932883564	-0.412321277 Hartree
17	LP(1)F4 s(81.39%)p0.23(18.60%)d0.00(0.01%)	1.997709452	-0.964171967 Hartree
18	LP(2)F4 s(4.15%)p23.08(95.77%)d0.02(0.08%)	1.964614828	-0.441075965 Hartree
19	LP(3)F4 s(0.00%)p1.00(99.91%)d0.00(0.09%)	1.932883564	-0.412321277 Hartree
20	LP(4)F4 s(14.44%)p5.91(85.37%)d0.01(0.18%)	1.639655487	-0.545281120 Hartree
21	LP(1)F5 s(84.39%)p0.18(15.61%)d0.00(0.00%)	1.997870589	-1.037308602 Hartree
22	LP(2)F5 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.968120164	-0.473500406 Hartree
23	LP(3)F5 s(0.31%)p99.99(99.55%)d0.43(0.14%)	1.933306502	-0.477638092 Hartree
24	BD(1)S1(F2) 1s(11.58%)p7.45(86.26%)d0.19(2.16%)	0.630998337	-0.225733985 Hartree
25	BD(1)F2(S1) 2s(15.28%)p5.53(84.43%)d0.02(0.29%)	1.553531108	-0.622142935 Hartree
26	BD(1)S1(F3) 1s(2.16%)p43.45(93.71%)d1.91(4.13%)	0.585886130	-0.138345261 Hartree
27	BD(1)F3(S1) 3s(14.44%)p5.91(85.37%)d0.01(0.18%)	1.639639536	-0.545177644 Hartree
28	BD(1)S1(F5) 1s(11.58%)p7.45(86.26%)d0.19(2.16%)	0.630998337	-0.225733985 Hartree
29	BD(1)F5(S1) 5s(15.28%)p5.53(84.43%)d0.02(0.29%)	1.553531108	-0.622142935 Hartree
30	RY(1)S1 s(6.76%)p1.82(12.30%)d11.98(80.94%)	0.074336094	0.805273384 Hartree
31	RY(2)S1 s(0.00%)p1.00(53.74%)d0.86(46.26%)	0.030403524	0.494163828 Hartree
32	RY(3)S1 s(21.34%)p0.23(4.86%)d3.46(73.80%)	0.018322180	0.682046605 Hartree
33	RY(4)S1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.017302570	0.706971122 Hartree
34	RY(5)S1 s(0.00%)p1.00(9.68%)d9.34(90.32%)	0.015386349	0.643748294 Hartree
35	RY(6)S1 s(0.05%)p99.99(90.29%)d99.99(9.66%)	0.006072170	0.462727664 Hartree
36	RY(7)S1 s(31.68%)p1.45(45.98%)d0.71(22.34%)	0.004648952	0.587720524 Hartree
37	RY(8)S1 s(0.00%)p1.00(49.09%)d1.04(50.91%)	0.001205427	0.694619247 Hartree
38	RY(9)S1 s(39.51%)p1.10(43.52%)d0.43(16.97%)	0.000275309	0.528402728 Hartree
39	RY(10)S1 s(99.55%)p0.00(0.20%)d0.00(0.25%)	0.000001184	4.007752039 Hartree
40	RY(1)F2 s(86.06%)p0.12(10.65%)d0.04(3.29%)	0.001215831	2.504981602 Hartree
41	RY(2)F2 s(0.00%)p1.00(80.90%)d0.24(19.10%)	0.000862064	1.450227346 Hartree
42	RY(3)F2 s(44.91%)p1.14(51.15%)d0.09(3.94%)	0.000701034	2.160827984 Hartree
43	RY(4)F2 s(18.62%)p1.16(21.57%)d3.21(59.81%)	0.000153849	1.984441448 Hartree
44	RY(5)F2 s(0.00%)p1.00(15.65%)d5.39(84.35%)	0.000082031	1.695454399 Hartree
45	RY(6)F2 s(0.00%)p1.00(3.57%)d27.03(96.43%)	0.000059986	1.751535854 Hartree
46	RY(7)F2 s(10.27%)p0.88(9.04%)d7.85(80.69%)	0.000059989	2.003097571 Hartree
47	RY(8)F2 s(8.82%)p8.21(72.42%)d2.13(18.76%)	0.000012834	1.357461520 Hartree
48	RY(9)F2 s(23.76%)p0.69(16.41%)d2.52(59.83%)	0.000006270	2.557958181 Hartree
49	RY(10)F2 s(7.58%)p2.53(19.16%)d9.67(73.26%)	0.000003870	1.810028266 Hartree
50	RY(1)F3 s(68.49%)p0.43(29.42%)d0.03(2.08%)	0.001345547	1.909207240 Hartree
51	RY(2)F3 s(0.00%)p1.00(77.48%)d0.29(22.52%)	0.000394580	1.463024997 Hartree
52	RY(3)F3 s(21.40%)p3.22(68.91%)d0.45(9.70%)	0.000315537	1.780076655 Hartree
53	RY(4)F3 s(35.06%)p0.07(2.47%)d1.78(62.47%)	0.000112535	2.769756680 Hartree
54	RY(5)F3 s(36.22%)p0.98(35.51%)d0.78(28.27%)	0.000073746	2.225850849 Hartree
55	RY(6)F3 s(0.17%)p0.28(0.05%)d99.99(99.78%)	0.000037662	1.856401514 Hartree
56	RY(7)F3 s(0.00%)p1.00(14.47%)d5.91(85.53%)	0.000034989	1.745941935 Hartree
57	RY(8)F3 s(0.00%)p1.00(8.14%)d11.29(91.86%)	0.000007436	1.798255153 Hartree
58	RY(9)F3 s(16.13%)p0.77(12.37%)d4.43(71.51%)	0.000007826	2.411608893 Hartree
59	RY(10)F3 s(22.54%)p2.29(51.54%)d1.15(25.92%)	0.000003115	1.391828123 Hartree
60	RY(1)F4 s(68.44%)p0.43(29.40%)d0.03(2.16%)	0.001331374	1.907130931 Hartree
61	RY(2)F4 s(0.00%)p1.00(77.48%)d0.29(22.52%)	0.000394580	1.463024997 Hartree
62	RY(3)F4 s(21.35%)p3.22(68.77%)d0.46(9.88%)	0.000315263	1.779258926 Hartree
63	RY(4)F4 s(36.31%)p0.07(2.42%)d1.69(61.27%)	0.000111314	2.789249843 Hartree
64	RY(5)F4 s(35.08%)p1.02(35.68%)d0.83(29.24%)	0.000073469	2.209672516 Hartree
65	RY(6)F4 s(0.17%)p0.29(0.05%)d99.99(99.78%)	0.000037657	1.856062334 Hartree
66	RY(7)F4 s(0.00%)p1.00(14.47%)d5.91(85.53%)	0.000034989	1.745941935 Hartree
67	RY(8)F4 s(0.00%)p1.00(8.14%)d11.29(91.86%)	0.000007436	1.798255153 Hartree
68	RY(9)F4 s(16.13%)p0.77(12.37%)d4.43(71.51%)	0.000007826	2.411695963 Hartree
69	RY(10)F4 s(22.53%)p2.29(51.58%)d1.15(25.89%)	0.000003113	1.391762917 Hartree
70	RY(1)F5 s(86.06%)p0.12(10.65%)d0.04(3.29%)	0.001215831	2.504981602 Hartree
71	RY(2)F5 s(0.00%)p1.00(80.90%)d0.24(19.10%)	0.000862064	1.450227346 Hartree
72	RY(3)F5 s(44.91%)p1.14(51.15%)d0.09(3.94%)	0.000701034	2.160827984 Hartree
73	RY(4)F5 s(18.62%)p1.16(21.57%)d3.21(59.81%)	0.000153849	1.984441448 Hartree
74	RY(5)F5 s(0.00%)p1.00(15.65%)d5.39(84.35%)	0.000082031	1.695454399 Hartree
75	RY(6)F5 s(0.00%)p1.00(3.57%)d27.03(96.43%)	0.000059986	1.751535854 Hartree
76	RY(7)F5 s(10.27%)p0.88(9.04%)d7.85(80.69%)	0.000059989	2.003097571 Hartree
77	RY(8)F5 s(8.82%)p8.21(72.42%)d2.13(18.76%)	0.000012834	1.357461520 Hartree
78	RY(9)F5 s(23.76%)p0.69(16.41%)d2.52(59.83%)	0.000006270	2.557958181 Hartree
79	RY(10)F5 s(7.58%)p2.53(19.16%)d9.67(73.26%)	0.000003870	1.810028266 Hartree

Display Range		- / 79
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)S1	115	1.999999809	-88.719269774 Hartree
2	CR(2)S1	116	1.999988477	-8.686824204 Hartree
3	CR(3)S1	117	1.999977404	-6.177918019 Hartree
4	CR(4)S1	118	1.999973456	-6.179339375 Hartree
5	CR(5)S1	119	1.999983050	-6.172520353 Hartree
6	CR(1)F2	120	1.999998948	-24.774022820 Hartree
7	CR(1)F3	121	1.999999175	-24.702101283 Hartree
8	CR(1)F4	122	1.999999175	-24.702101283 Hartree
9	CR(1)F5	123	1.999998948	-24.774022820 Hartree
10	LP(1)S1	124	1.997912048	-0.636315134 Hartree
11	LP(1)F2	125	1.997870589	-1.037308602 Hartree
12	LP(2)F2	126	1.968120164	-0.473500406 Hartree
13	LP(3)F2	127	1.933306502	-0.477638092 Hartree
14	LP(1)F3	128	1.997709452	-0.964171967 Hartree
15	LP(2)F3	129	1.964614828	-0.441075965 Hartree
16	LP(3)F3	130	1.932883564	-0.412321277 Hartree
17	LP(1)F4	131	1.997709452	-0.964171967 Hartree
18	LP(2)F4	132	1.964614828	-0.441075965 Hartree
19	LP(3)F4	133	1.932883564	-0.412321277 Hartree
20	LP(4)F4	134	1.639655487	-0.545281120 Hartree
21	LP(1)F5	135	1.997870589	-1.037308602 Hartree
22	LP(2)F5	136	1.968120164	-0.473500406 Hartree
23	LP(3)F5	137	1.933306502	-0.477638092 Hartree
24	BD(1)S1-F2	138, 139	1.985864805	-0.844244775 Hartree
25	BD(1)S1-F3	140, 141	1.981437272	-0.713469622 Hartree
26	BD(1)S1-F5	142, 143	1.985864805	-0.844244775 Hartree
27	BD*(1)S1-F2		0.198664641	-0.003632146 Hartree
28	BD*(1)S1-F3		0.244088394	0.029946717 Hartree
29	BD*(1)S1-F5		0.198664641	-0.003632146 Hartree
30	RY(1)S1	144	0.074336094	0.805273384 Hartree
31	RY(2)S1	145	0.030403524	0.494163828 Hartree
32	RY(3)S1	146	0.018322180	0.682046605 Hartree
33	RY(4)S1	147	0.017302570	0.706971122 Hartree
34	RY(5)S1	148	0.015386349	0.643748294 Hartree
35	RY(6)S1	149	0.006072170	0.462727664 Hartree
36	RY(7)S1	150	0.004648952	0.587720524 Hartree
37	RY(8)S1	151	0.001205427	0.694619247 Hartree
38	RY(9)S1	152	0.000275309	0.528402728 Hartree
39	RY(10)S1	153	0.000001184	4.007752039 Hartree
40	RY(1)F2	154	0.001215831	2.504981602 Hartree
41	RY(2)F2	155	0.000862064	1.450227346 Hartree
42	RY(3)F2	156	0.000701034	2.160827984 Hartree
43	RY(4)F2	157	0.000153849	1.984441448 Hartree
44	RY(5)F2	158	0.000082031	1.695454399 Hartree
45	RY(6)F2	159	0.000059986	1.751535854 Hartree
46	RY(7)F2	160	0.000059989	2.003097571 Hartree
47	RY(8)F2	161	0.000012834	1.357461520 Hartree
48	RY(9)F2	162	0.000006270	2.557958181 Hartree
49	RY(10)F2	163	0.000003870	1.810028266 Hartree
50	RY(1)F3	164	0.001345547	1.909207240 Hartree
51	RY(2)F3	165	0.000394580	1.463024997 Hartree
52	RY(3)F3	166	0.000315537	1.780076655 Hartree
53	RY(4)F3	167	0.000112535	2.769756680 Hartree
54	RY(5)F3	168	0.000073746	2.225850849 Hartree
55	RY(6)F3	169	0.000037662	1.856401514 Hartree
56	RY(7)F3	170	0.000034989	1.745941935 Hartree
57	RY(8)F3	171	0.000007436	1.798255153 Hartree
58	RY(9)F3	172	0.000007826	2.411608893 Hartree
59	RY(10)F3	173	0.000003115	1.391828123 Hartree
60	RY(1)F4	174	0.001331374	1.907130931 Hartree
61	RY(2)F4	175	0.000394580	1.463024997 Hartree
62	RY(3)F4	176	0.000315263	1.779258926 Hartree
63	RY(4)F4	177	0.000111314	2.789249843 Hartree
64	RY(5)F4	178	0.000073469	2.209672516 Hartree
65	RY(6)F4	179	0.000037657	1.856062334 Hartree
66	RY(7)F4	180	0.000034989	1.745941935 Hartree
67	RY(8)F4	181	0.000007436	1.798255153 Hartree
68	RY(9)F4	182	0.000007826	2.411695963 Hartree
69	RY(10)F4	183	0.000003113	1.391762917 Hartree
70	RY(1)F5	184	0.001215831	2.504981602 Hartree
71	RY(2)F5	185	0.000862064	1.450227346 Hartree
72	RY(3)F5	186	0.000701034	2.160827984 Hartree
73	RY(4)F5	187	0.000153849	1.984441448 Hartree
74	RY(5)F5	188	0.000082031	1.695454399 Hartree
75	RY(6)F5	189	0.000059986	1.751535854 Hartree
76	RY(7)F5	190	0.000059989	2.003097571 Hartree
77	RY(8)F5	191	0.000012834	1.357461520 Hartree
78	RY(9)F5	192	0.000006270	2.557958181 Hartree
79	RY(10)F5	193	0.000003870	1.810028266 Hartree

THEREFORE SHALL EVIL COME UPON THEE... THOU SHALT NOT KNOW FROM WHENCE IT RISETH... AND MISCHIEF SHALL FALL UPON THEE... THOU SHALT NOT BE ABLE TO PUT IT OFF... AND DESOLATION SHALL COME UPON THEE SUDDENLY... WHICH THOU SHALT NOT KNOW... ISAIAH 47.11