WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	Cl2F4S
Symmetry	C2V
Basis	6-31G(d)
RB3LYP Energy	-1717.78847598 Hartree
Dipole Moment	0.3775 Debye
Server	batch (413499)
CPU time	239.2 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	1.7958298	0.05990243424
b	1.6056122	0.05355745807
c	1.2725197	0.04244668824

Atom	Symbol	Charge
1	S	1.264945
2	Cl	-0.052152
3	F	-0.292415
4	Cl	-0.052152
5	F	-0.287905
6	F	-0.287905
7	F	-0.292415

Display Range		- / 117
Orbital	Symmetry	Occupancy	Energy	Actions
1	B2	2	-101.58646 Hartree
2	A1	2	-101.58646 Hartree
3	A1	2	-89.29133 Hartree
4	A1	2	-24.76438 Hartree
5	B1	2	-24.76438 Hartree
6	A1	2	-24.76432 Hartree
7	B2	2	-24.76432 Hartree
8	B2	2	-9.50529 Hartree
9	A1	2	-9.50526 Hartree
10	A1	2	-8.29824 Hartree
11	A1	2	-7.27063 Hartree
12	B2	2	-7.27061 Hartree
13	A2	2	-7.25825 Hartree
14	B2	2	-7.25824 Hartree
15	B1	2	-7.25824 Hartree
16	A1	2	-7.25823 Hartree
17	B1	2	-6.26484 Hartree
18	B2	2	-6.26324 Hartree
19	A1	2	-6.26295 Hartree
20	A1	2	-1.34835 Hartree
21	B1	2	-1.26612 Hartree
22	B2	2	-1.24639 Hartree
23	A1	2	-1.23478 Hartree
24	A1	2	-0.92730 Hartree
25	B2	2	-0.86197 Hartree
26	A1	2	-0.78555 Hartree
27	B1	2	-0.64599 Hartree
28	B2	2	-0.62862 Hartree
29	A1	2	-0.62390 Hartree
30	A2	2	-0.52692 Hartree
31	B1	2	-0.52449 Hartree
32	A1	2	-0.51195 Hartree
33	A1	2	-0.49322 Hartree
34	B2	2	-0.47921 Hartree
35	B2	2	-0.45101 Hartree
36	B1	2	-0.44416 Hartree
37	A1	2	-0.44358 Hartree
38	A2	2	-0.43905 Hartree
39	B2	2	-0.40470 Hartree
40	A1	2	-0.37477 Hartree
41	B1	2	-0.35931 Hartree
42	A2	2	-0.35022 Hartree
43	B2	2	-0.33832 Hartree
44	A1	0	-0.18049 Hartree
45	B2	0	-0.02954 Hartree
46	A1	0	0.01599 Hartree
47	B1	0	0.05569 Hartree
48	A1	0	0.27508 Hartree
49	A1	0	0.31261 Hartree
50	B1	0	0.31344 Hartree
51	B2	0	0.32007 Hartree
52	A1	0	0.36929 Hartree
53	B1	0	0.42816 Hartree
54	A2	0	0.43668 Hartree
55	A1	0	0.43764 Hartree
56	B2	0	0.43948 Hartree
57	B2	0	0.46109 Hartree
58	A1	0	0.48975 Hartree
59	B1	0	0.49727 Hartree
60	A2	0	0.50777 Hartree
61	B2	0	0.55616 Hartree
62	A1	0	0.62860 Hartree
63	B2	0	0.68112 Hartree
64	A1	0	0.78091 Hartree
65	A2	0	0.82521 Hartree
66	B1	0	0.83054 Hartree
67	A2	0	0.83132 Hartree
68	B2	0	0.83489 Hartree
69	A1	0	0.84209 Hartree
70	A1	0	0.87734 Hartree
71	B2	0	0.88191 Hartree
72	B1	0	0.88317 Hartree
73	A1	0	1.07586 Hartree
74	B1	0	1.10367 Hartree
75	A2	0	1.10478 Hartree
76	B2	0	1.11678 Hartree
77	A1	0	1.12333 Hartree
78	A1	0	1.14684 Hartree
79	B2	0	1.17183 Hartree
80	A1	0	1.20341 Hartree
81	B1	0	1.25442 Hartree
82	B2	0	1.27437 Hartree
83	A2	0	1.33185 Hartree
84	B1	0	1.42465 Hartree
85	A1	0	1.43484 Hartree
86	B2	0	1.46036 Hartree
87	A1	0	1.63389 Hartree
88	B2	0	1.71738 Hartree
89	B1	0	1.71875 Hartree
90	A2	0	1.73003 Hartree
91	A1	0	1.75840 Hartree
92	A1	0	1.79429 Hartree
93	B2	0	1.80063 Hartree
94	A2	0	1.80356 Hartree
95	B1	0	1.80615 Hartree
96	B2	0	1.92392 Hartree
97	A1	0	1.93286 Hartree
98	B2	0	1.96246 Hartree
99	A2	0	1.97176 Hartree
100	B1	0	1.97607 Hartree
101	A1	0	1.99948 Hartree
102	B1	0	2.00076 Hartree
103	A2	0	2.00301 Hartree
104	B1	0	2.09828 Hartree
105	B2	0	2.13879 Hartree
106	A1	0	2.22262 Hartree
107	B1	0	2.46144 Hartree
108	A1	0	2.53912 Hartree
109	B2	0	2.70744 Hartree
110	A1	0	2.87772 Hartree
111	A1	0	4.00913 Hartree
112	A1	0	4.05371 Hartree
113	A1	0	4.18159 Hartree
114	B2	0	4.23676 Hartree
115	B2	0	4.66148 Hartree
116	B1	0	5.02841 Hartree
117	A1	0	5.56246 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	S	2.15417
2	Cl	-0.14378
3	F	-0.46814
4	Cl	-0.14378
5	F	-0.46516
6	F	-0.46516
7	F	-0.46814

Display Range		- / 117
Orbital	Description	Occupancy	Energy	Actions
1	S1 Cor(1s)	1.999999739	-88.676579169 Hartree
2	S1 Cor(2s)	1.999984791	-8.912578829 Hartree
3	S1 Val(3s)	1.276487698	-0.684859507 Hartree
4	S1 Ryd(4s)	0.005432180	0.839606091 Hartree
5	S1 Ryd(5s)	0.000012889	3.990895572 Hartree
6	S1 Cor(2p)	1.999985134	-6.264735177 Hartree
7	S1 Val(3p)	0.653119571	-0.242064670 Hartree
8	S1 Ryd(4p)	0.019225849	0.410443451 Hartree
9	S1 Cor(2p)	1.999986350	-6.263138777 Hartree
10	S1 Val(3p)	0.861716947	-0.321328496 Hartree
11	S1 Ryd(4p)	0.013866283	0.460991236 Hartree
12	S1 Cor(2p)	1.999982270	-6.262891750 Hartree
13	S1 Val(3p)	0.848794899	-0.312133083 Hartree
14	S1 Ryd(4p)	0.015579661	0.441527436 Hartree
15	S1 Ryd(3d)	0.022108046	0.644170684 Hartree
16	S1 Ryd(3d)	0.021899872	0.653634559 Hartree
17	S1 Ryd(3d)	0.047252408	0.860192548 Hartree
18	S1 Ryd(3d)	0.035536459	0.880284572 Hartree
19	S1 Ryd(3d)	0.024862520	0.718970193 Hartree
20	Cl2 Cor(1s)	1.999999993	-101.485940815 Hartree
21	Cl2 Cor(2s)	1.999994895	-9.605518830 Hartree
22	Cl2 Val(3s)	1.934862733	-0.805033670 Hartree
23	Cl2 Ryd(4s)	0.001203603	0.719669093 Hartree
24	Cl2 Ryd(5s)	0.000017969	4.194625882 Hartree
25	Cl2 Cor(2p)	1.999997551	-7.258219018 Hartree
26	Cl2 Val(3p)	1.971783842	-0.358232453 Hartree
27	Cl2 Ryd(4p)	0.000574944	0.485011277 Hartree
28	Cl2 Cor(2p)	1.999993213	-7.264865878 Hartree
29	Cl2 Val(3p)	1.591989878	-0.352983254 Hartree
30	Cl2 Ryd(4p)	0.001230394	0.500082128 Hartree
31	Cl2 Cor(2p)	1.999994090	-7.263949268 Hartree
32	Cl2 Val(3p)	1.631725751	-0.352281226 Hartree
33	Cl2 Ryd(4p)	0.000979549	0.520323511 Hartree
34	Cl2 Ryd(3d)	0.000790723	0.869278640 Hartree
35	Cl2 Ryd(3d)	0.000675498	0.868210912 Hartree
36	Cl2 Ryd(3d)	0.004855359	0.989636062 Hartree
37	Cl2 Ryd(3d)	0.001777514	0.881579049 Hartree
38	Cl2 Ryd(3d)	0.001332136	0.902876661 Hartree
39	F3 Cor(1s)	1.999999006	-24.764346572 Hartree
40	F3 Val(2s)	1.915085119	-1.142155304 Hartree
41	F3 Ryd(3s)	0.001917916	2.055083825 Hartree
42	F3 Ryd(4s)	0.000200711	3.799369818 Hartree
43	F3 Val(2p)	1.622449922	-0.489433706 Hartree
44	F3 Ryd(3p)	0.000362192	1.970602870 Hartree
45	F3 Val(2p)	1.959226042	-0.466481839 Hartree
46	F3 Ryd(3p)	0.000398952	1.351338802 Hartree
47	F3 Val(2p)	1.959366069	-0.466469106 Hartree
48	F3 Ryd(3p)	0.000406576	1.325925087 Hartree
49	F3 Ryd(3d)	0.002446629	1.852594003 Hartree
50	F3 Ryd(3d)	0.002444854	1.849958485 Hartree
51	F3 Ryd(3d)	0.000078080	1.820560726 Hartree
52	F3 Ryd(3d)	0.002787188	2.139628172 Hartree
53	F3 Ryd(3d)	0.000970766	1.896479382 Hartree
54	Cl4 Cor(1s)	1.999999993	-101.485940815 Hartree
55	Cl4 Cor(2s)	1.999994895	-9.605518829 Hartree
56	Cl4 Val(3s)	1.934862733	-0.805033670 Hartree
57	Cl4 Ryd(4s)	0.001203603	0.719669093 Hartree
58	Cl4 Ryd(5s)	0.000017969	4.194625882 Hartree
59	Cl4 Cor(2p)	1.999997551	-7.258219018 Hartree
60	Cl4 Val(3p)	1.971783842	-0.358232453 Hartree
61	Cl4 Ryd(4p)	0.000574944	0.485011277 Hartree
62	Cl4 Cor(2p)	1.999993213	-7.264865878 Hartree
63	Cl4 Val(3p)	1.591989878	-0.352983254 Hartree
64	Cl4 Ryd(4p)	0.001230394	0.500082128 Hartree
65	Cl4 Cor(2p)	1.999994090	-7.263949268 Hartree
66	Cl4 Val(3p)	1.631725751	-0.352281226 Hartree
67	Cl4 Ryd(4p)	0.000979549	0.520323511 Hartree
68	Cl4 Ryd(3d)	0.000790723	0.869278640 Hartree
69	Cl4 Ryd(3d)	0.000675498	0.868210912 Hartree
70	Cl4 Ryd(3d)	0.004855359	0.989636062 Hartree
71	Cl4 Ryd(3d)	0.001777514	0.881579049 Hartree
72	Cl4 Ryd(3d)	0.001332136	0.902876661 Hartree
73	F5 Cor(1s)	1.999998950	-24.764280790 Hartree
74	F5 Val(2s)	1.913038508	-1.141005382 Hartree
75	F5 Ryd(3s)	0.002286694	2.105615257 Hartree
76	F5 Ryd(4s)	0.000253220	3.591665787 Hartree
77	F5 Val(2p)	1.957793448	-0.465170436 Hartree
78	F5 Ryd(3p)	0.000526192	1.351194735 Hartree
79	F5 Val(2p)	1.796742679	-0.477103659 Hartree
80	F5 Ryd(3p)	0.000291235	1.716674813 Hartree
81	F5 Val(2p)	1.784482415	-0.478630285 Hartree
82	F5 Ryd(3p)	0.000508703	1.712127419 Hartree
83	F5 Ryd(3d)	0.001246184	1.815913486 Hartree
84	F5 Ryd(3d)	0.001354190	1.815915397 Hartree
85	F5 Ryd(3d)	0.002992382	2.148981347 Hartree
86	F5 Ryd(3d)	0.001365826	1.911003799 Hartree
87	F5 Ryd(3d)	0.002282935	1.878461171 Hartree
88	F6 Cor(1s)	1.999998950	-24.764280790 Hartree
89	F6 Val(2s)	1.913038508	-1.141005382 Hartree
90	F6 Ryd(3s)	0.002286694	2.105615257 Hartree
91	F6 Ryd(4s)	0.000253220	3.591665787 Hartree
92	F6 Val(2p)	1.957793448	-0.465170436 Hartree
93	F6 Ryd(3p)	0.000526192	1.351194735 Hartree
94	F6 Val(2p)	1.796742679	-0.477103659 Hartree
95	F6 Ryd(3p)	0.000291235	1.716674813 Hartree
96	F6 Val(2p)	1.784482415	-0.478630285 Hartree
97	F6 Ryd(3p)	0.000508703	1.712127419 Hartree
98	F6 Ryd(3d)	0.001246184	1.815913486 Hartree
99	F6 Ryd(3d)	0.001354190	1.815915397 Hartree
100	F6 Ryd(3d)	0.002992382	2.148981347 Hartree
101	F6 Ryd(3d)	0.001365826	1.911003799 Hartree
102	F6 Ryd(3d)	0.002282935	1.878461171 Hartree
103	F7 Cor(1s)	1.999999006	-24.764346572 Hartree
104	F7 Val(2s)	1.915085119	-1.142155304 Hartree
105	F7 Ryd(3s)	0.001917916	2.055083825 Hartree
106	F7 Ryd(4s)	0.000200711	3.799369819 Hartree
107	F7 Val(2p)	1.622449922	-0.489433706 Hartree
108	F7 Ryd(3p)	0.000362192	1.970602870 Hartree
109	F7 Val(2p)	1.959226042	-0.466481839 Hartree
110	F7 Ryd(3p)	0.000398952	1.351338802 Hartree
111	F7 Val(2p)	1.959366069	-0.466469106 Hartree
112	F7 Ryd(3p)	0.000406576	1.325925087 Hartree
113	F7 Ryd(3d)	0.002446629	1.852594003 Hartree
114	F7 Ryd(3d)	0.002444854	1.849958485 Hartree
115	F7 Ryd(3d)	0.000078080	1.820560726 Hartree
116	F7 Ryd(3d)	0.002787188	2.139628172 Hartree
117	F7 Ryd(3d)	0.000970766	1.896479382 Hartree

Display Range		- / 117
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)S1 s(100.00%)	1.999999739	-88.676579169 Hartree
2	CR(2)S1 s(100.00%)	1.999984791	-8.912578829 Hartree
3	CR(3)S1 s(0.00%)p1.00(100.00%)	1.999985134	-6.264735177 Hartree
4	CR(4)S1 s(0.00%)p1.00(100.00%)	1.999986350	-6.263138777 Hartree
5	CR(5)S1 s(0.00%)p1.00(100.00%)	1.999982270	-6.262891750 Hartree
6	CR(1)Cl2 s(100.00%)	1.999999993	-101.485940815 Hartree
7	CR(2)Cl2 s(100.00%)	1.999994895	-9.605518830 Hartree
8	CR(3)Cl2 s(0.00%)p1.00(100.00%)	1.999997551	-7.258219018 Hartree
9	CR(4)Cl2 s(0.00%)p1.00(100.00%)	1.999993213	-7.264865878 Hartree
10	CR(5)Cl2 s(0.00%)p1.00(100.00%)	1.999994090	-7.263949268 Hartree
11	CR(1)F3 s(100.00%)	1.999999006	-24.764346572 Hartree
12	CR(1)Cl4 s(100.00%)	1.999999993	-101.485940815 Hartree
13	CR(2)Cl4 s(100.00%)	1.999994895	-9.605518829 Hartree
14	CR(3)Cl4 s(0.00%)p1.00(100.00%)	1.999997551	-7.258219018 Hartree
15	CR(4)Cl4 s(0.00%)p1.00(100.00%)	1.999993213	-7.264865878 Hartree
16	CR(5)Cl4 s(0.00%)p1.00(100.00%)	1.999994090	-7.263949268 Hartree
17	CR(1)F5 s(100.00%)	1.999998950	-24.764280790 Hartree
18	CR(1)F6 s(100.00%)	1.999998950	-24.764280790 Hartree
19	CR(1)F7 s(100.00%)	1.999999006	-24.764346572 Hartree
20	LP(1)Cl2 s(92.30%)p0.08(7.70%)d0.00(0.00%)	1.987788378	-0.775571340 Hartree
21	LP(2)Cl2 s(1.03%)p95.98(98.93%)d0.04(0.04%)	1.976661535	-0.363865686 Hartree
22	LP(3)Cl2 s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.972632065	-0.358479655 Hartree
23	LP(4)Cl2 s(6.64%)p13.97(92.84%)d0.08(0.51%)	1.202259238	-0.365306700 Hartree
24	LP(1)F3 s(83.55%)p0.20(16.44%)d0.00(0.00%)	1.981962786	-1.016082761 Hartree
25	LP(2)F3 s(0.74%)p99.99(99.15%)d0.16(0.12%)	1.961603399	-0.472766189 Hartree
26	LP(3)F3 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.961546860	-0.468098791 Hartree
27	LP(1)Cl4 s(92.30%)p0.08(7.70%)d0.00(0.00%)	1.987788378	-0.775571340 Hartree
28	LP(2)Cl4 s(1.03%)p95.98(98.93%)d0.04(0.04%)	1.976661535	-0.363865686 Hartree
29	LP(3)Cl4 s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.972632065	-0.358479655 Hartree
30	LP(1)F5 s(82.93%)p0.21(17.07%)d0.00(0.00%)	1.986096723	-1.010382790 Hartree
31	LP(2)F5 s(0.41%)p99.99(99.47%)d0.30(0.12%)	1.964143745	-0.470638776 Hartree
32	LP(3)F5 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.960164775	-0.466787388 Hartree
33	LP(1)F6 s(82.93%)p0.21(17.07%)d0.00(0.00%)	1.986096723	-1.010382790 Hartree
34	LP(2)F6 s(0.41%)p99.99(99.47%)d0.30(0.12%)	1.964143745	-0.470638776 Hartree
35	LP(3)F6 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.960164775	-0.466787388 Hartree
36	LP(1)F7 s(83.55%)p0.20(16.44%)d0.00(0.00%)	1.981962786	-1.016082761 Hartree
37	LP(2)F7 s(0.74%)p99.99(99.15%)d0.16(0.12%)	1.961603399	-0.472766189 Hartree
38	LP(3)F7 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.961546860	-0.468098791 Hartree
39	BD(1)S1(F3) 1s(22.18%)p2.34(51.94%)d1.17(25.87%)	0.632864465	-0.023764793 Hartree
40	BD(1)F3(S1) 3s(15.69%)p5.36(84.08%)d0.02(0.24%)	1.559320916	-0.612904511 Hartree
41	BD(1)S1(Cl4) 1s(25.90%)p2.01(51.97%)d0.85(22.13%)	0.939701198	-0.210928908 Hartree
42	BD(1)Cl4(S1) 4s(6.67%)p13.91(92.74%)d0.09(0.59%)	1.201991493	-0.363262016 Hartree
43	BD(1)S1(F5) 1s(9.24%)p9.46(87.34%)d0.37(3.42%)	0.773822687	-0.264918195 Hartree
44	BD(1)F5(S1) 5s(16.65%)p4.99(83.11%)d0.01(0.25%)	1.550353202	-0.619409501 Hartree
45	BD(1)S1(F6) 1s(20.77%)p2.52(52.31%)d1.30(26.92%)	0.634871044	-0.005671871 Hartree
46	BD(1)F6(S1) 6s(16.65%)p4.99(83.11%)d0.01(0.25%)	1.550353202	-0.619409501 Hartree
47	BD(1)S1(F7) 1s(22.18%)p2.34(51.94%)d1.17(25.87%)	0.632864465	-0.023764793 Hartree
48	BD(1)F7(S1) 7s(15.69%)p5.36(84.08%)d0.02(0.24%)	1.559320916	-0.612904511 Hartree
49	RY(1)S1 s(0.55%)p11.37(6.21%)d99.99(93.25%)	0.114418483	0.793149160 Hartree
50	RY(2)S1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.022108046	0.644170684 Hartree
51	RY(3)S1 s(0.00%)p1.00(1.28%)d77.30(98.72%)	0.021934681	0.644048020 Hartree
52	RY(4)S1 s(0.00%)p1.00(98.72%)d0.01(1.28%)	0.020881319	0.418222635 Hartree
53	RY(5)S1 s(0.00%)p1.00(1.96%)d50.08(98.04%)	0.019507246	0.607058777 Hartree
54	RY(6)S1 s(10.42%)p8.41(87.62%)d0.19(1.96%)	0.017369593	0.454904451 Hartree
55	RY(7)S1 s(0.04%)p99.99(98.46%)d38.82(1.50%)	0.014100659	0.464624088 Hartree
56	RY(8)S1 s(88.73%)p0.12(10.24%)d0.01(1.03%)	0.001439127	0.848808272 Hartree
57	RY(9)S1 s(99.99%)p0.00(0.01%)d0.00(0.00%)	0.000012271	3.994393059 Hartree
58	RY(1)Cl2 s(48.64%)p0.78(37.93%)d0.28(13.43%)	0.002040173	0.683623112 Hartree
59	RY(2)Cl2 s(0.00%)p1.00(35.99%)d1.78(64.01%)	0.000897126	0.841619420 Hartree
60	RY(3)Cl2 s(0.20%)p97.24(19.80%)d99.99(80.00%)	0.000637763	0.884230181 Hartree
61	RY(4)Cl2 s(1.71%)p36.35(62.28%)d21.01(36.00%)	0.000347008	0.574897789 Hartree
62	RY(5)Cl2 s(0.00%)p1.00(63.45%)d0.58(36.55%)	0.000265300	0.553215273 Hartree
63	RY(6)Cl2 s(12.63%)p1.31(16.49%)d5.61(70.88%)	0.000131742	0.781296572 Hartree
64	RY(7)Cl2 s(36.76%)p1.32(48.39%)d0.40(14.85%)	0.000072391	0.598422390 Hartree
65	RY(8)Cl2 s(4.23%)p2.96(12.50%)d19.70(83.27%)	0.000036140	1.134415446 Hartree
66	RY(9)Cl2 s(0.00%)p1.00(0.60%)d99.99(99.40%)	0.000030516	0.827913338 Hartree
67	RY(10)Cl2 s(95.86%)p0.03(3.13%)d0.01(1.02%)	0.000000519	4.046352473 Hartree
68	RY(1)F3 s(82.92%)p0.20(16.19%)d0.01(0.89%)	0.002299917	2.450384583 Hartree
69	RY(2)F3 s(0.00%)p1.00(83.01%)d0.20(16.99%)	0.000470566	1.489303026 Hartree
70	RY(3)F3 s(13.29%)p4.97(66.02%)d1.56(20.69%)	0.000454546	1.787520321 Hartree
71	RY(4)F3 s(66.15%)p0.29(18.85%)d0.23(15.00%)	0.000222682	2.797868591 Hartree
72	RY(5)F3 s(0.00%)p1.00(3.28%)d29.46(96.72%)	0.000101263	1.796311815 Hartree
73	RY(6)F3 s(2.17%)p5.37(11.67%)d39.64(86.15%)	0.000062294	1.939179637 Hartree
74	RY(7)F3 s(0.19%)p71.83(13.48%)d99.99(86.33%)	0.000039806	1.742354893 Hartree
75	RY(8)F3 s(0.00%)p1.00(13.83%)d6.23(86.17%)	0.000031013	1.740495642 Hartree
76	RY(9)F3 s(9.89%)p4.12(40.72%)d4.99(49.39%)	0.000016541	1.455364413 Hartree
77	RY(10)F3 s(25.41%)p1.31(33.40%)d1.62(41.19%)	0.000008425	2.868070548 Hartree
78	RY(1)Cl4 s(48.62%)p0.80(38.88%)d0.26(12.51%)	0.002295282	0.670523215 Hartree
79	RY(2)Cl4 s(0.00%)p1.00(35.99%)d1.78(64.01%)	0.000897126	0.841619420 Hartree
80	RY(3)Cl4 s(0.42%)p41.82(17.73%)d99.99(81.85%)	0.000647197	0.896493073 Hartree
81	RY(4)Cl4 s(1.48%)p42.71(63.34%)d23.72(35.18%)	0.000349820	0.574516313 Hartree
82	RY(5)Cl4 s(0.00%)p1.00(63.45%)d0.58(36.55%)	0.000265300	0.553215273 Hartree
83	RY(6)Cl4 s(12.73%)p1.29(16.42%)d5.56(70.85%)	0.000132024	0.781595902 Hartree
84	RY(7)Cl4 s(36.68%)p1.33(48.64%)d0.40(14.68%)	0.000072490	0.597489293 Hartree
85	RY(8)Cl4 s(4.20%)p2.98(12.50%)d19.83(83.30%)	0.000036149	1.134398159 Hartree
86	RY(9)Cl4 s(0.00%)p1.00(0.60%)d99.99(99.40%)	0.000030516	0.827913338 Hartree
87	RY(10)Cl4 s(95.86%)p0.03(3.12%)d0.01(1.02%)	0.000000520	4.046177325 Hartree
88	RY(1)F5 s(88.28%)p0.12(10.82%)d0.01(0.90%)	0.002648588	2.565640183 Hartree
89	RY(2)F5 s(0.00%)p1.00(78.88%)d0.27(21.12%)	0.000655514	1.541009147 Hartree
90	RY(3)F5 s(14.20%)p5.10(72.43%)d0.94(13.37%)	0.000550721	1.731687817 Hartree
91	RY(4)F5 s(57.90%)p0.43(24.91%)d0.30(17.19%)	0.000303834	2.551978766 Hartree
92	RY(5)F5 s(2.25%)p2.72(6.14%)d40.67(91.61%)	0.000087150	1.961990005 Hartree
93	RY(6)F5 s(0.00%)p1.00(0.21%)d99.99(99.79%)	0.000064149	1.776786911 Hartree
94	RY(7)F5 s(0.77%)p16.25(12.47%)d99.99(86.76%)	0.000044515	1.757279540 Hartree
95	RY(8)F5 s(0.00%)p1.00(21.04%)d3.75(78.96%)	0.000035576	1.666844512 Hartree
96	RY(9)F5 s(10.58%)p0.24(2.49%)d8.22(86.93%)	0.000010354	2.285395206 Hartree
97	RY(10)F5 s(26.05%)p2.73(71.09%)d0.11(2.86%)	0.000005763	2.214249817 Hartree
98	RY(1)F6 s(88.28%)p0.12(10.82%)d0.01(0.90%)	0.002648588	2.565640183 Hartree
99	RY(2)F6 s(0.00%)p1.00(78.88%)d0.27(21.12%)	0.000655514	1.541009147 Hartree
100	RY(3)F6 s(14.20%)p5.10(72.43%)d0.94(13.37%)	0.000550721	1.731687817 Hartree
101	RY(4)F6 s(57.90%)p0.43(24.91%)d0.30(17.19%)	0.000303834	2.551978766 Hartree
102	RY(5)F6 s(2.25%)p2.72(6.14%)d40.67(91.61%)	0.000087150	1.961990005 Hartree
103	RY(6)F6 s(0.00%)p1.00(0.21%)d99.99(99.79%)	0.000064149	1.776786911 Hartree
104	RY(7)F6 s(0.77%)p16.25(12.47%)d99.99(86.76%)	0.000044515	1.757279540 Hartree
105	RY(8)F6 s(0.00%)p1.00(21.04%)d3.75(78.96%)	0.000035576	1.666844512 Hartree
106	RY(9)F6 s(10.58%)p0.24(2.49%)d8.22(86.93%)	0.000010354	2.285395206 Hartree
107	RY(10)F6 s(26.05%)p2.73(71.09%)d0.11(2.86%)	0.000005763	2.214249817 Hartree
108	RY(1)F7 s(82.92%)p0.20(16.19%)d0.01(0.89%)	0.002299917	2.450384583 Hartree
109	RY(2)F7 s(0.00%)p1.00(83.01%)d0.20(16.99%)	0.000470566	1.489303026 Hartree
110	RY(3)F7 s(13.29%)p4.97(66.02%)d1.56(20.69%)	0.000454546	1.787520321 Hartree
111	RY(4)F7 s(66.15%)p0.29(18.85%)d0.23(15.00%)	0.000222682	2.797868591 Hartree
112	RY(5)F7 s(0.00%)p1.00(3.28%)d29.46(96.72%)	0.000101263	1.796311815 Hartree
113	RY(6)F7 s(2.17%)p5.37(11.67%)d39.64(86.15%)	0.000062294	1.939179637 Hartree
114	RY(7)F7 s(0.19%)p71.83(13.48%)d99.99(86.33%)	0.000039806	1.742354893 Hartree
115	RY(8)F7 s(0.00%)p1.00(13.83%)d6.23(86.17%)	0.000031013	1.740495642 Hartree
116	RY(9)F7 s(9.89%)p4.12(40.72%)d4.99(49.39%)	0.000016541	1.455364413 Hartree
117	RY(10)F7 s(25.41%)p1.31(33.40%)d1.62(41.19%)	0.000008425	2.868070549 Hartree

Display Range		- / 117
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)S1	2229	1.999999739	-88.676579169 Hartree
2	CR(2)S1	2230	1.999984791	-8.912578829 Hartree
3	CR(3)S1	2231	1.999985134	-6.264735177 Hartree
4	CR(4)S1	2232	1.999986350	-6.263138777 Hartree
5	CR(5)S1	2233	1.999982270	-6.262891750 Hartree
6	CR(1)Cl2	2234	1.999999993	-101.485940815 Hartree
7	CR(2)Cl2	2235	1.999994895	-9.605518830 Hartree
8	CR(3)Cl2	2236	1.999997551	-7.258219018 Hartree
9	CR(4)Cl2	2237	1.999993213	-7.264865878 Hartree
10	CR(5)Cl2	2238	1.999994090	-7.263949268 Hartree
11	CR(1)F3	2239	1.999999006	-24.764346572 Hartree
12	CR(1)Cl4	2240	1.999999993	-101.485940815 Hartree
13	CR(2)Cl4	2241	1.999994895	-9.605518829 Hartree
14	CR(3)Cl4	2242	1.999997551	-7.258219018 Hartree
15	CR(4)Cl4	2243	1.999993213	-7.264865878 Hartree
16	CR(5)Cl4	2244	1.999994090	-7.263949268 Hartree
17	CR(1)F5	2245	1.999998950	-24.764280790 Hartree
18	CR(1)F6	2246	1.999998950	-24.764280790 Hartree
19	CR(1)F7	2247	1.999999006	-24.764346572 Hartree
20	LP(1)Cl2	2248	1.987788378	-0.775571340 Hartree
21	LP(2)Cl2	2249	1.976661535	-0.363865686 Hartree
22	LP(3)Cl2	2250	1.972632065	-0.358479655 Hartree
23	LP(4)Cl2	2251	1.202259238	-0.365306700 Hartree
24	LP(1)F3	2252	1.981962786	-1.016082761 Hartree
25	LP(2)F3	2253	1.961603399	-0.472766189 Hartree
26	LP(3)F3	2254	1.961546860	-0.468098791 Hartree
27	LP(1)Cl4	2255	1.987788378	-0.775571340 Hartree
28	LP(2)Cl4	2256	1.976661535	-0.363865686 Hartree
29	LP(3)Cl4	2257	1.972632065	-0.358479655 Hartree
30	LP(1)F5	2258	1.986096723	-1.010382790 Hartree
31	LP(2)F5	2259	1.964143745	-0.470638776 Hartree
32	LP(3)F5	2260	1.960164775	-0.466787388 Hartree
33	LP(1)F6	2261	1.986096723	-1.010382790 Hartree
34	LP(2)F6	2262	1.964143745	-0.470638776 Hartree
35	LP(3)F6	2263	1.960164775	-0.466787388 Hartree
36	LP(1)F7	2264	1.981962786	-1.016082761 Hartree
37	LP(2)F7	2265	1.961603399	-0.472766189 Hartree
38	LP(3)F7	2266	1.961546860	-0.468098791 Hartree
39	BD(1)S1-F3	2267, 2268	1.900184530	-0.797383000 Hartree
40	BD(1)S1-Cl4	2269, 2270	1.842509551	-0.554932564 Hartree
41	BD(1)S1-F5	2271, 2272	1.963393221	-0.861851235 Hartree
42	BD(1)S1-F6	2273, 2274	1.895146260	-0.800569692 Hartree
43	BD(1)S1-F7	2275, 2276	1.900184530	-0.797383000 Hartree
44	BD*(1)S1-F3		0.292000851	0.160713696 Hartree
45	BD*(1)S1-Cl4		0.299183139	-0.019258360 Hartree
46	BD*(1)S1-F5		0.360782668	-0.022476461 Hartree
47	BD*(1)S1-F6		0.290077987	0.175488321 Hartree
48	BD*(1)S1-F7		0.292000851	0.160713696 Hartree
49	RY(1)S1	2277	0.114418483	0.793149160 Hartree
50	RY(2)S1	2278	0.022108046	0.644170684 Hartree
51	RY(3)S1	2279	0.021934681	0.644048020 Hartree
52	RY(4)S1	2280	0.020881319	0.418222635 Hartree
53	RY(5)S1	2281	0.019507246	0.607058777 Hartree
54	RY(6)S1	2282	0.017369593	0.454904451 Hartree
55	RY(7)S1	2283	0.014100659	0.464624088 Hartree
56	RY(8)S1	2284	0.001439127	0.848808272 Hartree
57	RY(9)S1	2285	0.000012271	3.994393059 Hartree
58	RY(1)Cl2	2286	0.002040173	0.683623112 Hartree
59	RY(2)Cl2	2287	0.000897126	0.841619420 Hartree
60	RY(3)Cl2	2288	0.000637763	0.884230181 Hartree
61	RY(4)Cl2	2289	0.000347008	0.574897789 Hartree
62	RY(5)Cl2	2290	0.000265300	0.553215273 Hartree
63	RY(6)Cl2	2291	0.000131742	0.781296572 Hartree
64	RY(7)Cl2	2292	0.000072391	0.598422390 Hartree
65	RY(8)Cl2	2293	0.000036140	1.134415446 Hartree
66	RY(9)Cl2	2294	0.000030516	0.827913338 Hartree
67	RY(10)Cl2	2295	0.000000519	4.046352473 Hartree
68	RY(1)F3	2296	0.002299917	2.450384583 Hartree
69	RY(2)F3	2297	0.000470566	1.489303026 Hartree
70	RY(3)F3	2298	0.000454546	1.787520321 Hartree
71	RY(4)F3	2299	0.000222682	2.797868591 Hartree
72	RY(5)F3	2300	0.000101263	1.796311815 Hartree
73	RY(6)F3	2301	0.000062294	1.939179637 Hartree
74	RY(7)F3	2302	0.000039806	1.742354893 Hartree
75	RY(8)F3	2303	0.000031013	1.740495642 Hartree
76	RY(9)F3	2304	0.000016541	1.455364413 Hartree
77	RY(10)F3	2305	0.000008425	2.868070548 Hartree
78	RY(1)Cl4	2306	0.002295282	0.670523215 Hartree
79	RY(2)Cl4	2307	0.000897126	0.841619420 Hartree
80	RY(3)Cl4	2308	0.000647197	0.896493073 Hartree
81	RY(4)Cl4	2309	0.000349820	0.574516313 Hartree
82	RY(5)Cl4	2310	0.000265300	0.553215273 Hartree
83	RY(6)Cl4	2311	0.000132024	0.781595902 Hartree
84	RY(7)Cl4	2312	0.000072490	0.597489293 Hartree
85	RY(8)Cl4	2313	0.000036149	1.134398159 Hartree
86	RY(9)Cl4	2314	0.000030516	0.827913338 Hartree
87	RY(10)Cl4	2315	0.000000520	4.046177325 Hartree
88	RY(1)F5	2316	0.002648588	2.565640183 Hartree
89	RY(2)F5	2317	0.000655514	1.541009147 Hartree
90	RY(3)F5	2318	0.000550721	1.731687817 Hartree
91	RY(4)F5	2319	0.000303834	2.551978766 Hartree
92	RY(5)F5	2320	0.000087150	1.961990005 Hartree
93	RY(6)F5	2321	0.000064149	1.776786911 Hartree
94	RY(7)F5	2322	0.000044515	1.757279540 Hartree
95	RY(8)F5	2323	0.000035576	1.666844512 Hartree
96	RY(9)F5	2324	0.000010354	2.285395206 Hartree
97	RY(10)F5	2325	0.000005763	2.214249817 Hartree
98	RY(1)F6	2326	0.002648588	2.565640183 Hartree
99	RY(2)F6	2327	0.000655514	1.541009147 Hartree
100	RY(3)F6	2328	0.000550721	1.731687817 Hartree
101	RY(4)F6	2329	0.000303834	2.551978766 Hartree
102	RY(5)F6	2330	0.000087150	1.961990005 Hartree
103	RY(6)F6	2331	0.000064149	1.776786911 Hartree
104	RY(7)F6	2332	0.000044515	1.757279540 Hartree
105	RY(8)F6	2333	0.000035576	1.666844512 Hartree
106	RY(9)F6	2334	0.000010354	2.285395206 Hartree
107	RY(10)F6	2335	0.000005763	2.214249817 Hartree
108	RY(1)F7	2336	0.002299917	2.450384583 Hartree
109	RY(2)F7	2337	0.000470566	1.489303026 Hartree
110	RY(3)F7	2338	0.000454546	1.787520321 Hartree
111	RY(4)F7	2339	0.000222682	2.797868591 Hartree
112	RY(5)F7	2340	0.000101263	1.796311815 Hartree
113	RY(6)F7	2341	0.000062294	1.939179637 Hartree
114	RY(7)F7	2342	0.000039806	1.742354893 Hartree
115	RY(8)F7	2343	0.000031013	1.740495642 Hartree
116	RY(9)F7	2344	0.000016541	1.455364413 Hartree
117	RY(10)F7	2345	0.000008425	2.868070549 Hartree

THERE IS AN OLD, OLD RECIPE IN MAINE FOR STEWING COOT. PLACE THE BIRD IN A KETTLE OF WATER WITH A RED BUILDING BRICK FREE OF MORTAR AND BLEMISHES. PARBOIL THE COOT AND BRICK TOGETHER FOR THREE HOURS. POUR OFF THE WATER, REFILL THE KETTLE, AND AGAIN PARBOIL FOR THREE HOURS. ONCE AGAIN POUR OFF THE WATER, FOR THE LAST TIME ADD FRESH WATER, AND LET THE COOT AND BRICK SIMMER TOGETHER OVERNIGHT. IN THE MORNING, THROW AWAY THE COOT AND EAT THE BRICK.