WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	Cl5P
Symmetry	D3H
Basis	6-31G(d)
RB3LYP Energy	-2642.35683833 Hartree
Dipole Moment	0.0000 Debye
Server	batch (467495)
CPU time	26.8 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	1.1234685	0.03747487537
b	0.9079899	0.03028728294
c	0.9079899	0.03028728294

Display Range		- / 114
Orbital	Symmetry	Occupancy	Energy	Actions
1	A1'	2	-101.59799 Hartree
2	E'	2	-101.59799 Hartree
3	E'	2	-101.59799 Hartree
4	A1'	2	-101.55572 Hartree
5	A2"	2	-101.55572 Hartree
6	A1'	2	-77.33334 Hartree
7	E'	2	-9.51714 Hartree
8	E'	2	-9.51714 Hartree
9	A1'	2	-9.51713 Hartree
10	A2"	2	-9.47474 Hartree
11	A1'	2	-9.47472 Hartree
12	E'	2	-7.28103 Hartree
13	E'	2	-7.28103 Hartree
14	A1'	2	-7.28101 Hartree
15	A2'	2	-7.27171 Hartree
16	E'	2	-7.27170 Hartree
17	E'	2	-7.27170 Hartree
18	E"	2	-7.26988 Hartree
19	E"	2	-7.26988 Hartree
20	A2"	2	-7.26987 Hartree
21	A1'	2	-7.23824 Hartree
22	A2"	2	-7.23822 Hartree
23	E"	2	-7.22864 Hartree
24	E"	2	-7.22864 Hartree
25	E'	2	-7.22864 Hartree
26	E'	2	-7.22864 Hartree
27	A1'	2	-6.78098 Hartree
28	E'	2	-4.94439 Hartree
29	E'	2	-4.94439 Hartree
30	A2"	2	-4.94256 Hartree
31	A1'	2	-0.95782 Hartree
32	E'	2	-0.88323 Hartree
33	E'	2	-0.88323 Hartree
34	A2"	2	-0.84500 Hartree
35	A1'	2	-0.82163 Hartree
36	A1'	2	-0.65580 Hartree
37	E'	2	-0.51041 Hartree
38	E'	2	-0.51041 Hartree
39	A2"	2	-0.49478 Hartree
40	E"	2	-0.40632 Hartree
41	E"	2	-0.40632 Hartree
42	E'	2	-0.39389 Hartree
43	E'	2	-0.39389 Hartree
44	A1'	2	-0.36951 Hartree
45	A2'	2	-0.36586 Hartree
46	A2"	2	-0.34898 Hartree
47	E'	2	-0.33336 Hartree
48	E'	2	-0.33336 Hartree
49	E"	2	-0.31436 Hartree
50	E"	2	-0.31436 Hartree
51	A1'	0	-0.16320 Hartree
52	E'	0	-0.06618 Hartree
53	E'	0	-0.06618 Hartree
54	A2"	0	-0.02881 Hartree
55	E'	0	0.22353 Hartree
56	E'	0	0.22353 Hartree
57	A1'	0	0.24847 Hartree
58	A2"	0	0.29974 Hartree
59	E'	0	0.33038 Hartree
60	E'	0	0.33038 Hartree
61	A1'	0	0.33570 Hartree
62	E"	0	0.36265 Hartree
63	E"	0	0.36265 Hartree
64	A1'	0	0.40059 Hartree
65	E'	0	0.41736 Hartree
66	E'	0	0.41736 Hartree
67	A2"	0	0.42106 Hartree
68	A2"	0	0.44634 Hartree
69	E'	0	0.45994 Hartree
70	E'	0	0.45994 Hartree
71	A1'	0	0.47943 Hartree
72	A2'	0	0.48948 Hartree
73	E"	0	0.49156 Hartree
74	E"	0	0.49156 Hartree
75	A1'	0	0.51852 Hartree
76	E"	0	0.52609 Hartree
77	E"	0	0.52609 Hartree
78	E'	0	0.54989 Hartree
79	E'	0	0.54989 Hartree
80	E'	0	0.63572 Hartree
81	E'	0	0.63572 Hartree
82	A2"	0	0.70827 Hartree
83	A1'	0	0.75193 Hartree
84	A2'	0	0.79162 Hartree
85	E"	0	0.81540 Hartree
86	E"	0	0.81540 Hartree
87	A1"	0	0.81599 Hartree
88	E'	0	0.82852 Hartree
89	E'	0	0.82852 Hartree
90	E"	0	0.84349 Hartree
91	E"	0	0.84349 Hartree
92	E'	0	0.85154 Hartree
93	E'	0	0.85154 Hartree
94	A1'	0	0.87994 Hartree
95	E"	0	0.90046 Hartree
96	E"	0	0.90046 Hartree
97	E'	0	0.91834 Hartree
98	E'	0	0.91834 Hartree
99	E"	0	0.92513 Hartree
100	E"	0	0.92513 Hartree
101	A2"	0	1.00361 Hartree
102	E'	0	1.01932 Hartree
103	E'	0	1.01932 Hartree
104	A2"	0	1.13191 Hartree
105	A1'	0	1.14226 Hartree
106	E'	0	1.20573 Hartree
107	E'	0	1.20573 Hartree
108	A1'	0	1.27628 Hartree
109	A1'	0	3.22498 Hartree
110	A1'	0	4.17010 Hartree
111	E'	0	4.19731 Hartree
112	E'	0	4.19731 Hartree
113	A2"	0	4.27993 Hartree
114	A1'	0	4.28812 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	P	1.04677
2	Cl	-0.16240
3	Cl	-0.27979
4	Cl	-0.27979
5	Cl	-0.16240
6	Cl	-0.16240

Display Range		- / 114
Orbital	Description	Occupancy	Energy	Actions
1	P1 Cor(1s)	1.999999986	-75.965391273 Hartree
2	P1 Cor(2s)	1.999990604	-8.148558306 Hartree
3	P1 Val(3s)	1.285883477	-0.570808712 Hartree
4	P1 Ryd(4s)	0.001390853	0.658353218 Hartree
5	P1 Ryd(5s)	0.000016561	2.626331057 Hartree
6	P1 Cor(2p)	1.999990821	-4.944338498 Hartree
7	P1 Val(3p)	0.808605064	-0.265241943 Hartree
8	P1 Ryd(4p)	0.018949980	0.311836946 Hartree
9	P1 Cor(2p)	1.999990821	-4.944338498 Hartree
10	P1 Val(3p)	0.808605064	-0.265241943 Hartree
11	P1 Ryd(4p)	0.018949980	0.311836946 Hartree
12	P1 Cor(2p)	1.999989270	-4.942505582 Hartree
13	P1 Val(3p)	0.878646607	-0.265831830 Hartree
14	P1 Ryd(4p)	0.012385800	0.393906712 Hartree
15	P1 Ryd(3d)	0.024440432	0.635670020 Hartree
16	P1 Ryd(3d)	0.012339654	0.535902172 Hartree
17	P1 Ryd(3d)	0.012339654	0.535902172 Hartree
18	P1 Ryd(3d)	0.024440432	0.635670020 Hartree
19	P1 Ryd(3d)	0.046277236	0.660815329 Hartree
20	Cl2 Cor(1s)	1.999999995	-101.529531909 Hartree
21	Cl2 Cor(2s)	1.999993126	-9.585144450 Hartree
22	Cl2 Val(3s)	1.896022665	-0.798022781 Hartree
23	Cl2 Ryd(4s)	0.002694839	0.662253945 Hartree
24	Cl2 Ryd(5s)	0.000013451	4.197007160 Hartree
25	Cl2 Cor(2p)	1.999996023	-7.271679370 Hartree
26	Cl2 Val(3p)	1.894853965	-0.368045667 Hartree
27	Cl2 Ryd(4p)	0.000218466	0.483075498 Hartree
28	Cl2 Cor(2p)	1.999992340	-7.281029265 Hartree
29	Cl2 Val(3p)	1.385534176	-0.367971928 Hartree
30	Cl2 Ryd(4p)	0.001563412	0.519817384 Hartree
31	Cl2 Cor(2p)	1.999996620	-7.269846345 Hartree
32	Cl2 Val(3p)	1.970067987	-0.367197110 Hartree
33	Cl2 Ryd(4p)	0.001054810	0.489390537 Hartree
34	Cl2 Ryd(3d)	0.002076154	0.850146878 Hartree
35	Cl2 Ryd(3d)	0.000046134	0.817115501 Hartree
36	Cl2 Ryd(3d)	0.001758546	0.849795666 Hartree
37	Cl2 Ryd(3d)	0.004531531	0.922612635 Hartree
38	Cl2 Ryd(3d)	0.001983715	0.863018313 Hartree
39	Cl3 Cor(1s)	1.999999994	-101.489137099 Hartree
40	Cl3 Cor(2s)	1.999992890	-9.540937763 Hartree
41	Cl3 Val(3s)	1.917197047	-0.769027959 Hartree
42	Cl3 Ryd(4s)	0.001886176	0.588583135 Hartree
43	Cl3 Ryd(5s)	0.000011218	4.239081040 Hartree
44	Cl3 Cor(2p)	1.999997285	-7.228623065 Hartree
45	Cl3 Val(3p)	1.965450985	-0.336154418 Hartree
46	Cl3 Ryd(4p)	0.000525694	0.495156377 Hartree
47	Cl3 Cor(2p)	1.999997285	-7.228623065 Hartree
48	Cl3 Val(3p)	1.965450985	-0.336154418 Hartree
49	Cl3 Ryd(4p)	0.000525694	0.495156377 Hartree
50	Cl3 Cor(2p)	1.999993336	-7.238223160 Hartree
51	Cl3 Val(3p)	1.419528201	-0.329640039 Hartree
52	Cl3 Ryd(4p)	0.001202381	0.551974348 Hartree
53	Cl3 Ryd(3d)	0.000101401	0.863179920 Hartree
54	Cl3 Ryd(3d)	0.001247766	0.866418533 Hartree
55	Cl3 Ryd(3d)	0.001247766	0.866418533 Hartree
56	Cl3 Ryd(3d)	0.000101401	0.863179920 Hartree
57	Cl3 Ryd(3d)	0.005329414	0.962387299 Hartree
58	Cl4 Cor(1s)	1.999999994	-101.489137099 Hartree
59	Cl4 Cor(2s)	1.999992890	-9.540937763 Hartree
60	Cl4 Val(3s)	1.917197047	-0.769027959 Hartree
61	Cl4 Ryd(4s)	0.001886176	0.588583135 Hartree
62	Cl4 Ryd(5s)	0.000011218	4.239081040 Hartree
63	Cl4 Cor(2p)	1.999997285	-7.228623065 Hartree
64	Cl4 Val(3p)	1.965450985	-0.336154418 Hartree
65	Cl4 Ryd(4p)	0.000525694	0.495156377 Hartree
66	Cl4 Cor(2p)	1.999997285	-7.228623065 Hartree
67	Cl4 Val(3p)	1.965450985	-0.336154418 Hartree
68	Cl4 Ryd(4p)	0.000525694	0.495156377 Hartree
69	Cl4 Cor(2p)	1.999993336	-7.238223160 Hartree
70	Cl4 Val(3p)	1.419528201	-0.329640039 Hartree
71	Cl4 Ryd(4p)	0.001202381	0.551974348 Hartree
72	Cl4 Ryd(3d)	0.000101401	0.863179920 Hartree
73	Cl4 Ryd(3d)	0.001247766	0.866418533 Hartree
74	Cl4 Ryd(3d)	0.001247766	0.866418533 Hartree
75	Cl4 Ryd(3d)	0.000101401	0.863179920 Hartree
76	Cl4 Ryd(3d)	0.005329414	0.962387299 Hartree
77	Cl5 Cor(1s)	1.999999995	-101.529531909 Hartree
78	Cl5 Cor(2s)	1.999993126	-9.585144450 Hartree
79	Cl5 Val(3s)	1.896022665	-0.798022781 Hartree
80	Cl5 Ryd(4s)	0.002694839	0.662253945 Hartree
81	Cl5 Ryd(5s)	0.000013451	4.197007160 Hartree
82	Cl5 Cor(2p)	1.999993260	-7.278691791 Hartree
83	Cl5 Val(3p)	1.512864124	-0.367990363 Hartree
84	Cl5 Ryd(4p)	0.001227176	0.510631912 Hartree
85	Cl5 Cor(2p)	1.999995102	-7.274016843 Hartree
86	Cl5 Val(3p)	1.767524018	-0.368027232 Hartree
87	Cl5 Ryd(4p)	0.000554703	0.492260969 Hartree
88	Cl5 Cor(2p)	1.999996620	-7.269846345 Hartree
89	Cl5 Val(3p)	1.970067987	-0.367197110 Hartree
90	Cl5 Ryd(4p)	0.001054810	0.489390537 Hartree
91	Cl5 Ryd(3d)	0.003917687	0.904496196 Hartree
92	Cl5 Ryd(3d)	0.001330443	0.841625625 Hartree
93	Cl5 Ryd(3d)	0.000474237	0.825285542 Hartree
94	Cl5 Ryd(3d)	0.002689998	0.868263317 Hartree
95	Cl5 Ryd(3d)	0.001983715	0.863018313 Hartree
96	Cl6 Cor(1s)	1.999999995	-101.529531909 Hartree
97	Cl6 Cor(2s)	1.999993126	-9.585144450 Hartree
98	Cl6 Val(3s)	1.896022665	-0.798022781 Hartree
99	Cl6 Ryd(4s)	0.002694839	0.662253945 Hartree
100	Cl6 Ryd(5s)	0.000013451	4.197007160 Hartree
101	Cl6 Cor(2p)	1.999993260	-7.278691791 Hartree
102	Cl6 Val(3p)	1.512864124	-0.367990363 Hartree
103	Cl6 Ryd(4p)	0.001227176	0.510631912 Hartree
104	Cl6 Cor(2p)	1.999995102	-7.274016843 Hartree
105	Cl6 Val(3p)	1.767524018	-0.368027232 Hartree
106	Cl6 Ryd(4p)	0.000554703	0.492260969 Hartree
107	Cl6 Cor(2p)	1.999996620	-7.269846345 Hartree
108	Cl6 Val(3p)	1.970067987	-0.367197110 Hartree
109	Cl6 Ryd(4p)	0.001054810	0.489390537 Hartree
110	Cl6 Ryd(3d)	0.003917687	0.904496196 Hartree
111	Cl6 Ryd(3d)	0.001330443	0.841625625 Hartree
112	Cl6 Ryd(3d)	0.000474237	0.825285542 Hartree
113	Cl6 Ryd(3d)	0.002689998	0.868263317 Hartree
114	Cl6 Ryd(3d)	0.001983715	0.863018313 Hartree

Display Range		- / 114
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)P1 s(100.00%)	1.999999986	-75.965391273 Hartree
2	CR(2)P1 s(100.00%)	1.999990604	-8.148558306 Hartree
3	CR(3)P1 s(0.00%)p1.00(100.00%)	1.999990821	-4.944338498 Hartree
4	CR(4)P1 s(0.00%)p1.00(100.00%)	1.999990821	-4.944338498 Hartree
5	CR(5)P1 s(0.00%)p1.00(100.00%)	1.999989270	-4.942505582 Hartree
6	CR(1)Cl2 s(100.00%)	1.999999995	-101.529531909 Hartree
7	CR(2)Cl2 s(100.00%)	1.999993126	-9.585144450 Hartree
8	CR(3)Cl2 s(0.00%)p1.00(100.00%)	1.999996023	-7.271679370 Hartree
9	CR(4)Cl2 s(0.00%)p1.00(100.00%)	1.999992340	-7.281029265 Hartree
10	CR(5)Cl2 s(0.00%)p1.00(100.00%)	1.999996620	-7.269846345 Hartree
11	CR(1)Cl3 s(100.00%)	1.999999994	-101.489137099 Hartree
12	CR(2)Cl3 s(100.00%)	1.999992890	-9.540937763 Hartree
13	CR(3)Cl3 s(0.00%)p1.00(100.00%)	1.999997285	-7.228623065 Hartree
14	CR(4)Cl3 s(0.00%)p1.00(100.00%)	1.999997285	-7.228623065 Hartree
15	CR(5)Cl3 s(0.00%)p1.00(100.00%)	1.999993336	-7.238223160 Hartree
16	CR(1)Cl4 s(100.00%)	1.999999994	-101.489137099 Hartree
17	CR(2)Cl4 s(100.00%)	1.999992890	-9.540937763 Hartree
18	CR(3)Cl4 s(0.00%)p1.00(100.00%)	1.999997285	-7.228623065 Hartree
19	CR(4)Cl4 s(0.00%)p1.00(100.00%)	1.999997285	-7.228623065 Hartree
20	CR(5)Cl4 s(0.00%)p1.00(100.00%)	1.999993336	-7.238223160 Hartree
21	CR(1)Cl5 s(100.00%)	1.999999995	-101.529531909 Hartree
22	CR(2)Cl5 s(100.00%)	1.999993126	-9.585144450 Hartree
23	CR(3)Cl5 s(0.00%)p1.00(100.00%)	1.999993260	-7.278691791 Hartree
24	CR(4)Cl5 s(0.00%)p1.00(100.00%)	1.999995102	-7.274016843 Hartree
25	CR(5)Cl5 s(0.00%)p1.00(100.00%)	1.999996620	-7.269846345 Hartree
26	CR(1)Cl6 s(100.00%)	1.999999995	-101.529531909 Hartree
27	CR(2)Cl6 s(100.00%)	1.999993126	-9.585144450 Hartree
28	CR(3)Cl6 s(0.00%)p1.00(100.00%)	1.999993260	-7.278691791 Hartree
29	CR(4)Cl6 s(0.00%)p1.00(100.00%)	1.999995102	-7.274016843 Hartree
30	CR(5)Cl6 s(0.00%)p1.00(100.00%)	1.999996620	-7.269846345 Hartree
31	LP(1)Cl2 s(87.31%)p0.15(12.68%)d0.00(0.00%)	1.982307799	-0.755283607 Hartree
32	LP(2)Cl2 s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.971133537	-0.367405099 Hartree
33	LP(3)Cl2 s(0.00%)p1.00(99.91%)d0.00(0.09%)	1.896576501	-0.368085458 Hartree
34	LP(1)Cl3 s(89.33%)p0.12(10.67%)d0.00(0.00%)	1.984417869	-0.730837106 Hartree
35	LP(2)Cl3 s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.966316006	-0.336367714 Hartree
36	LP(3)Cl3 s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.966316006	-0.336367714 Hartree
37	LP(1)Cl4 s(89.33%)p0.12(10.67%)d0.00(0.00%)	1.984417869	-0.730837106 Hartree
38	LP(2)Cl4 s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.966316006	-0.336367714 Hartree
39	LP(3)Cl4 s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.966316006	-0.336367714 Hartree
40	LP(4)Cl4 s(10.65%)p8.36(88.98%)d0.04(0.38%)	1.357922883	-0.364652725 Hartree
41	LP(1)Cl5 s(87.31%)p0.15(12.68%)d0.00(0.00%)	1.982307799	-0.755283607 Hartree
42	LP(2)Cl5 s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.971133537	-0.367405099 Hartree
43	LP(3)Cl5 s(0.00%)p1.00(99.91%)d0.00(0.09%)	1.896576501	-0.368085458 Hartree
44	LP(1)Cl6 s(87.31%)p0.15(12.68%)d0.00(0.00%)	1.982307799	-0.755283607 Hartree
45	LP(2)Cl6 s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.971133537	-0.367405099 Hartree
46	LP(3)Cl6 s(0.00%)p1.00(99.91%)d0.00(0.09%)	1.896576501	-0.368085458 Hartree
47	BD(1)P1(Cl2) 1s(29.39%)p2.34(68.85%)d0.06(1.76%)	0.942917582	-0.333295286 Hartree
48	BD(1)Cl2(P1) 2s(12.66%)p6.86(86.83%)d0.04(0.52%)	1.305465508	-0.403411199 Hartree
49	BD(1)P1(Cl3) 1s(11.19%)p7.64(85.51%)d0.30(3.30%)	0.896955610	-0.269650057 Hartree
50	BD(1)Cl3(P1) 3s(10.64%)p8.36(88.94%)d0.04(0.42%)	1.357569050	-0.363021231 Hartree
51	BD(1)P1(Cl5) 1s(29.39%)p2.34(68.85%)d0.06(1.76%)	0.942917582	-0.333295286 Hartree
52	BD(1)Cl5(P1) 5s(12.66%)p6.86(86.83%)d0.04(0.52%)	1.305465508	-0.403411199 Hartree
53	BD(1)P1(Cl6) 1s(29.39%)p2.34(68.85%)d0.06(1.76%)	0.942917582	-0.333295286 Hartree
54	BD(1)Cl6(P1) 6s(12.66%)p6.86(86.83%)d0.04(0.52%)	1.305465508	-0.403411199 Hartree
55	RY(1)P1 s(0.76%)p6.64(5.03%)d99.99(94.22%)	0.095473860	0.608266144 Hartree
56	RY(2)P1 s(0.00%)p1.00(44.55%)d1.24(55.45%)	0.039957253	0.395063107 Hartree
57	RY(3)P1 s(0.00%)p1.00(44.55%)d1.24(55.45%)	0.039957253	0.395063107 Hartree
58	RY(4)P1 s(0.00%)p1.00(99.83%)d0.00(0.17%)	0.012460497	0.394358989 Hartree
59	RY(5)P1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.012339654	0.535902172 Hartree
60	RY(6)P1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.012339654	0.535902172 Hartree
61	RY(7)P1 s(0.00%)p1.00(57.00%)d0.75(43.00%)	0.006841536	0.530111318 Hartree
62	RY(8)P1 s(0.00%)p1.00(57.00%)d0.75(43.00%)	0.006841536	0.530111318 Hartree
63	RY(9)P1 s(99.91%)p0.00(0.00%)d0.00(0.09%)	0.001349201	0.687278806 Hartree
64	RY(10)P1 s(99.97%)p0.00(0.00%)d0.00(0.03%)	0.000001994	2.596578945 Hartree
65	RY(1)Cl2 s(68.86%)p0.40(27.68%)d0.05(3.45%)	0.004272072	0.711951336 Hartree
66	RY(2)Cl2 s(0.00%)p1.00(50.04%)d1.00(49.96%)	0.001417243	0.588511923 Hartree
67	RY(3)Cl2 s(0.00%)p1.00(31.80%)d2.14(68.20%)	0.000541224	0.650603100 Hartree
68	RY(4)Cl2 s(0.00%)p1.00(50.00%)d1.00(50.00%)	0.000330563	0.750882269 Hartree
69	RY(5)Cl2 s(2.55%)p0.09(0.24%)d38.13(97.21%)	0.000169144	0.941675825 Hartree
70	RY(6)Cl2 s(8.69%)p0.51(4.40%)d10.00(86.91%)	0.000118970	0.847538480 Hartree
71	RY(7)Cl2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000046134	0.817115501 Hartree
72	RY(8)Cl2 s(0.00%)p1.00(68.29%)d0.46(31.71%)	0.000030860	0.682659066 Hartree
73	RY(9)Cl2 s(28.00%)p2.24(62.65%)d0.33(9.35%)	0.000009985	0.731937364 Hartree
74	RY(10)Cl2 s(91.93%)p0.06(5.52%)d0.03(2.56%)	0.000000312	3.924306529 Hartree
75	RY(1)Cl3 s(67.32%)p0.41(27.38%)d0.08(5.29%)	0.003062738	0.644532097 Hartree
76	RY(2)Cl3 s(0.00%)p1.00(48.43%)d1.07(51.57%)	0.000730334	0.625113886 Hartree
77	RY(3)Cl3 s(0.00%)p1.00(48.43%)d1.07(51.57%)	0.000730334	0.625113886 Hartree
78	RY(4)Cl3 s(0.00%)p1.00(36.34%)d1.75(63.66%)	0.000256556	0.781111360 Hartree
79	RY(5)Cl3 s(0.00%)p1.00(36.34%)d1.75(63.66%)	0.000256556	0.781111360 Hartree
80	RY(6)Cl3 s(4.54%)p5.37(24.42%)d15.63(71.03%)	0.000058824	1.056238726 Hartree
81	RY(7)Cl3 s(32.40%)p1.42(46.10%)d0.66(21.50%)	0.000045288	0.510657888 Hartree
82	RY(8)Cl3 s(0.00%)p1.00(15.28%)d5.54(84.72%)	0.000022950	0.818742880 Hartree
83	RY(9)Cl3 s(0.00%)p1.00(15.28%)d5.54(84.72%)	0.000022950	0.818742880 Hartree
84	RY(10)Cl3 s(95.76%)p0.03(2.49%)d0.02(1.76%)	0.000000669	4.125787449 Hartree
85	RY(1)Cl4 s(67.14%)p0.41(27.39%)d0.08(5.47%)	0.002709112	0.645638049 Hartree
86	RY(2)Cl4 s(0.00%)p1.00(48.43%)d1.07(51.57%)	0.000730334	0.625113886 Hartree
87	RY(3)Cl4 s(0.00%)p1.00(48.43%)d1.07(51.57%)	0.000730334	0.625113886 Hartree
88	RY(4)Cl4 s(0.00%)p1.00(36.34%)d1.75(63.66%)	0.000256556	0.781111360 Hartree
89	RY(5)Cl4 s(0.00%)p1.00(36.34%)d1.75(63.66%)	0.000256556	0.781111360 Hartree
90	RY(6)Cl4 s(4.62%)p5.42(25.03%)d15.24(70.36%)	0.000058733	1.054373834 Hartree
91	RY(7)Cl4 s(32.51%)p1.40(45.45%)d0.68(22.04%)	0.000045174	0.513076981 Hartree
92	RY(8)Cl4 s(0.00%)p1.00(15.28%)d5.54(84.72%)	0.000022950	0.818742880 Hartree
93	RY(9)Cl4 s(0.00%)p1.00(15.28%)d5.54(84.72%)	0.000022950	0.818742880 Hartree
94	RY(10)Cl4 s(95.75%)p0.03(2.49%)d0.02(1.76%)	0.000000667	4.125758791 Hartree
95	RY(1)Cl5 s(68.86%)p0.40(27.68%)d0.05(3.45%)	0.004272072	0.711951336 Hartree
96	RY(2)Cl5 s(0.00%)p1.00(50.04%)d1.00(49.96%)	0.001417243	0.588511923 Hartree
97	RY(3)Cl5 s(0.00%)p1.00(31.80%)d2.14(68.20%)	0.000541224	0.650603100 Hartree
98	RY(4)Cl5 s(0.00%)p1.00(50.00%)d1.00(50.00%)	0.000330563	0.750882269 Hartree
99	RY(5)Cl5 s(2.55%)p0.09(0.24%)d38.13(97.21%)	0.000169144	0.941675825 Hartree
100	RY(6)Cl5 s(8.69%)p0.51(4.40%)d10.00(86.91%)	0.000118970	0.847538480 Hartree
101	RY(7)Cl5 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000046134	0.817115501 Hartree
102	RY(8)Cl5 s(0.00%)p1.00(68.29%)d0.46(31.71%)	0.000030860	0.682659066 Hartree
103	RY(9)Cl5 s(28.00%)p2.24(62.65%)d0.33(9.35%)	0.000009985	0.731937364 Hartree
104	RY(10)Cl5 s(91.93%)p0.06(5.52%)d0.03(2.56%)	0.000000312	3.924306529 Hartree
105	RY(1)Cl6 s(68.86%)p0.40(27.68%)d0.05(3.45%)	0.004272072	0.711951336 Hartree
106	RY(2)Cl6 s(0.00%)p1.00(50.04%)d1.00(49.96%)	0.001417243	0.588511923 Hartree
107	RY(3)Cl6 s(0.00%)p1.00(31.80%)d2.14(68.20%)	0.000541224	0.650603100 Hartree
108	RY(4)Cl6 s(0.00%)p1.00(50.00%)d1.00(50.00%)	0.000330563	0.750882269 Hartree
109	RY(5)Cl6 s(2.55%)p0.09(0.24%)d38.13(97.21%)	0.000169144	0.941675825 Hartree
110	RY(6)Cl6 s(8.69%)p0.51(4.40%)d10.00(86.91%)	0.000118970	0.847538480 Hartree
111	RY(7)Cl6 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000046134	0.817115501 Hartree
112	RY(8)Cl6 s(0.00%)p1.00(68.29%)d0.46(31.71%)	0.000030860	0.682659066 Hartree
113	RY(9)Cl6 s(28.00%)p2.24(62.65%)d0.33(9.35%)	0.000009985	0.731937365 Hartree
114	RY(10)Cl6 s(91.93%)p0.06(5.52%)d0.03(2.56%)	0.000000312	3.924306529 Hartree

Display Range		- / 114
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)P1	1	1.999999986	-75.965391273 Hartree
2	CR(2)P1	2	1.999990604	-8.148558306 Hartree
3	CR(3)P1	3	1.999990821	-4.944338498 Hartree
4	CR(4)P1	4	1.999990821	-4.944338498 Hartree
5	CR(5)P1	5	1.999989270	-4.942505582 Hartree
6	CR(1)Cl2	6	1.999999995	-101.529531909 Hartree
7	CR(2)Cl2	7	1.999993126	-9.585144450 Hartree
8	CR(3)Cl2	8	1.999996023	-7.271679370 Hartree
9	CR(4)Cl2	9	1.999992340	-7.281029265 Hartree
10	CR(5)Cl2	10	1.999996620	-7.269846345 Hartree
11	CR(1)Cl3	11	1.999999994	-101.489137099 Hartree
12	CR(2)Cl3	12	1.999992890	-9.540937763 Hartree
13	CR(3)Cl3	13	1.999997285	-7.228623065 Hartree
14	CR(4)Cl3	14	1.999997285	-7.228623065 Hartree
15	CR(5)Cl3	15	1.999993336	-7.238223160 Hartree
16	CR(1)Cl4	16	1.999999994	-101.489137099 Hartree
17	CR(2)Cl4	17	1.999992890	-9.540937763 Hartree
18	CR(3)Cl4	18	1.999997285	-7.228623065 Hartree
19	CR(4)Cl4	19	1.999997285	-7.228623065 Hartree
20	CR(5)Cl4	20	1.999993336	-7.238223160 Hartree
21	CR(1)Cl5	21	1.999999995	-101.529531909 Hartree
22	CR(2)Cl5	22	1.999993126	-9.585144450 Hartree
23	CR(3)Cl5	23	1.999993260	-7.278691791 Hartree
24	CR(4)Cl5	24	1.999995102	-7.274016843 Hartree
25	CR(5)Cl5	25	1.999996620	-7.269846345 Hartree
26	CR(1)Cl6	26	1.999999995	-101.529531909 Hartree
27	CR(2)Cl6	27	1.999993126	-9.585144450 Hartree
28	CR(3)Cl6	28	1.999993260	-7.278691791 Hartree
29	CR(4)Cl6	29	1.999995102	-7.274016843 Hartree
30	CR(5)Cl6	30	1.999996620	-7.269846345 Hartree
31	LP(1)Cl2	31	1.982307799	-0.755283607 Hartree
32	LP(2)Cl2	32	1.971133537	-0.367405099 Hartree
33	LP(3)Cl2	33	1.896576501	-0.368085458 Hartree
34	LP(1)Cl3	34	1.984417869	-0.730837106 Hartree
35	LP(2)Cl3	35	1.966316006	-0.336367714 Hartree
36	LP(3)Cl3	36	1.966316006	-0.336367714 Hartree
37	LP(1)Cl4	37	1.984417869	-0.730837106 Hartree
38	LP(2)Cl4	38	1.966316006	-0.336367714 Hartree
39	LP(3)Cl4	39	1.966316006	-0.336367714 Hartree
40	LP(4)Cl4	40	1.357922883	-0.364652725 Hartree
41	LP(1)Cl5	41	1.982307799	-0.755283607 Hartree
42	LP(2)Cl5	42	1.971133537	-0.367405099 Hartree
43	LP(3)Cl5	43	1.896576501	-0.368085458 Hartree
44	LP(1)Cl6	44	1.982307799	-0.755283607 Hartree
45	LP(2)Cl6	45	1.971133537	-0.367405099 Hartree
46	LP(3)Cl6	46	1.896576501	-0.368085458 Hartree
47	BD(1)P1-Cl2	47, 48	1.965973991	-0.661552458 Hartree
48	BD(1)P1-Cl3	49, 50	1.943165659	-0.574396053 Hartree
49	BD(1)P1-Cl5	51, 52	1.965973991	-0.661552458 Hartree
50	BD(1)P1-Cl6	53, 54	1.965973991	-0.661552458 Hartree
51	BD*(1)P1-Cl2		0.282409099	-0.075154026 Hartree
52	BD*(1)P1-Cl3		0.311359001	-0.058275234 Hartree
53	BD*(1)P1-Cl5		0.282409099	-0.075154026 Hartree
54	BD*(1)P1-Cl6		0.282409099	-0.075154026 Hartree
55	RY(1)P1	55	0.095473860	0.608266144 Hartree
56	RY(2)P1	56	0.039957253	0.395063107 Hartree
57	RY(3)P1	57	0.039957253	0.395063107 Hartree
58	RY(4)P1	58	0.012460497	0.394358989 Hartree
59	RY(5)P1	59	0.012339654	0.535902172 Hartree
60	RY(6)P1	60	0.012339654	0.535902172 Hartree
61	RY(7)P1	61	0.006841536	0.530111318 Hartree
62	RY(8)P1	62	0.006841536	0.530111318 Hartree
63	RY(9)P1	63	0.001349201	0.687278806 Hartree
64	RY(10)P1	64	0.000001994	2.596578945 Hartree
65	RY(1)Cl2	65	0.004272072	0.711951336 Hartree
66	RY(2)Cl2	66	0.001417243	0.588511923 Hartree
67	RY(3)Cl2	67	0.000541224	0.650603100 Hartree
68	RY(4)Cl2	68	0.000330563	0.750882269 Hartree
69	RY(5)Cl2	69	0.000169144	0.941675825 Hartree
70	RY(6)Cl2	70	0.000118970	0.847538480 Hartree
71	RY(7)Cl2	71	0.000046134	0.817115501 Hartree
72	RY(8)Cl2	72	0.000030860	0.682659066 Hartree
73	RY(9)Cl2	73	0.000009985	0.731937364 Hartree
74	RY(10)Cl2	74	0.000000312	3.924306529 Hartree
75	RY(1)Cl3	75	0.003062738	0.644532097 Hartree
76	RY(2)Cl3	76	0.000730334	0.625113886 Hartree
77	RY(3)Cl3	77	0.000730334	0.625113886 Hartree
78	RY(4)Cl3	78	0.000256556	0.781111360 Hartree
79	RY(5)Cl3	79	0.000256556	0.781111360 Hartree
80	RY(6)Cl3	80	0.000058824	1.056238726 Hartree
81	RY(7)Cl3	81	0.000045288	0.510657888 Hartree
82	RY(8)Cl3	82	0.000022950	0.818742880 Hartree
83	RY(9)Cl3	83	0.000022950	0.818742880 Hartree
84	RY(10)Cl3	84	0.000000669	4.125787449 Hartree
85	RY(1)Cl4	85	0.002709112	0.645638049 Hartree
86	RY(2)Cl4	86	0.000730334	0.625113886 Hartree
87	RY(3)Cl4	87	0.000730334	0.625113886 Hartree
88	RY(4)Cl4	88	0.000256556	0.781111360 Hartree
89	RY(5)Cl4	89	0.000256556	0.781111360 Hartree
90	RY(6)Cl4	90	0.000058733	1.054373834 Hartree
91	RY(7)Cl4	91	0.000045174	0.513076981 Hartree
92	RY(8)Cl4	92	0.000022950	0.818742880 Hartree
93	RY(9)Cl4	93	0.000022950	0.818742880 Hartree
94	RY(10)Cl4	94	0.000000667	4.125758791 Hartree
95	RY(1)Cl5	95	0.004272072	0.711951336 Hartree
96	RY(2)Cl5	96	0.001417243	0.588511923 Hartree
97	RY(3)Cl5	97	0.000541224	0.650603100 Hartree
98	RY(4)Cl5	98	0.000330563	0.750882269 Hartree
99	RY(5)Cl5	99	0.000169144	0.941675825 Hartree
100	RY(6)Cl5	100	0.000118970	0.847538480 Hartree
101	RY(7)Cl5	101	0.000046134	0.817115501 Hartree
102	RY(8)Cl5	102	0.000030860	0.682659066 Hartree
103	RY(9)Cl5	103	0.000009985	0.731937364 Hartree
104	RY(10)Cl5	104	0.000000312	3.924306529 Hartree
105	RY(1)Cl6	105	0.004272072	0.711951336 Hartree
106	RY(2)Cl6	106	0.001417243	0.588511923 Hartree
107	RY(3)Cl6	107	0.000541224	0.650603100 Hartree
108	RY(4)Cl6	108	0.000330563	0.750882269 Hartree
109	RY(5)Cl6	109	0.000169144	0.941675825 Hartree
110	RY(6)Cl6	110	0.000118970	0.847538480 Hartree
111	RY(7)Cl6	111	0.000046134	0.817115501 Hartree
112	RY(8)Cl6	112	0.000030860	0.682659066 Hartree
113	RY(9)Cl6	113	0.000009985	0.731937365 Hartree
114	RY(10)Cl6	114	0.000000312	3.924306529 Hartree

KNIGHT- SIRE, I'VE JUST RETURNED FROM THE FRONT KING- HOW GOES THE BATTLE KNIGHT- THE SITUATION IS QUITE FLUID KING- WHAT DOES *THAT* MEAN KNIGHT- WE'RE UP THE CREEK THE WIZARD OF ID