WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	Cl4FP
Symmetry	CS
Basis	6-31G(d)
RB3LYP Energy	-2282.02425996 Hartree
Dipole Moment	0.4066 Debye
Server	batch (413477)
CPU time	103.7 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	1.1804490	0.03937554026
b	1.1804488	0.03937553359
c	1.1345847	0.03784567189

Atom	Symbol	Charge
1	P	0.669356
2	Cl	-0.049710
3	F	-0.329601
4	Cl	-0.190653
5	Cl	-0.049697
6	Cl	-0.049697

Display Range		- / 110
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-101.59049 Hartree
2	-	2	-101.59049 Hartree
3	-	2	-101.59047 Hartree
4	-	2	-101.55498 Hartree
5	-	2	-77.34159 Hartree
6	-	2	-24.72964 Hartree
7	-	2	-9.51001 Hartree
8	-	2	-9.51001 Hartree
9	-	2	-9.50999 Hartree
10	-	2	-9.47411 Hartree
11	-	2	-7.27361 Hartree
12	-	2	-7.27360 Hartree
13	-	2	-7.27357 Hartree
14	-	2	-7.26466 Hartree
15	-	2	-7.26465 Hartree
16	-	2	-7.26463 Hartree
17	-	2	-7.26290 Hartree
18	-	2	-7.26290 Hartree
19	-	2	-7.26288 Hartree
20	-	2	-7.23751 Hartree
21	-	2	-7.22806 Hartree
22	-	2	-7.22806 Hartree
23	-	2	-6.78524 Hartree
24	-	2	-4.94885 Hartree
25	-	2	-4.94885 Hartree
26	-	2	-4.94760 Hartree
27	-	2	-1.23800 Hartree
28	-	2	-0.93372 Hartree
29	-	2	-0.87864 Hartree
30	-	2	-0.87863 Hartree
31	-	2	-0.83016 Hartree
32	-	2	-0.66436 Hartree
33	-	2	-0.53817 Hartree
34	-	2	-0.52770 Hartree
35	-	2	-0.52770 Hartree
36	-	2	-0.44815 Hartree
37	-	2	-0.44815 Hartree
38	-	2	-0.40443 Hartree
39	-	2	-0.38919 Hartree
40	-	2	-0.38918 Hartree
41	-	2	-0.36814 Hartree
42	-	2	-0.36814 Hartree
43	-	2	-0.36030 Hartree
44	-	2	-0.35041 Hartree
45	-	2	-0.32008 Hartree
46	-	2	-0.32008 Hartree
47	-	0	-0.13906 Hartree
48	-	0	-0.04881 Hartree
49	-	0	-0.04880 Hartree
50	-	0	0.05573 Hartree
51	-	0	0.21985 Hartree
52	-	0	0.21995 Hartree
53	-	0	0.24393 Hartree
54	-	0	0.30124 Hartree
55	-	0	0.33771 Hartree
56	-	0	0.33773 Hartree
57	-	0	0.35930 Hartree
58	-	0	0.39350 Hartree
59	-	0	0.39351 Hartree
60	-	0	0.41365 Hartree
61	-	0	0.42830 Hartree
62	-	0	0.42832 Hartree
63	-	0	0.44556 Hartree
64	-	0	0.48941 Hartree
65	-	0	0.48943 Hartree
66	-	0	0.49435 Hartree
67	-	0	0.50233 Hartree
68	-	0	0.50235 Hartree
69	-	0	0.55018 Hartree
70	-	0	0.55081 Hartree
71	-	0	0.55083 Hartree
72	-	0	0.62042 Hartree
73	-	0	0.65261 Hartree
74	-	0	0.65270 Hartree
75	-	0	0.77045 Hartree
76	-	0	0.79795 Hartree
77	-	0	0.82108 Hartree
78	-	0	0.82112 Hartree
79	-	0	0.82183 Hartree
80	-	0	0.82417 Hartree
81	-	0	0.82417 Hartree
82	-	0	0.84893 Hartree
83	-	0	0.84898 Hartree
84	-	0	0.86556 Hartree
85	-	0	0.89440 Hartree
86	-	0	0.89445 Hartree
87	-	0	0.91877 Hartree
88	-	0	0.91882 Hartree
89	-	0	0.95395 Hartree
90	-	0	1.00038 Hartree
91	-	0	1.00042 Hartree
92	-	0	1.13658 Hartree
93	-	0	1.20772 Hartree
94	-	0	1.20779 Hartree
95	-	0	1.23384 Hartree
96	-	0	1.30387 Hartree
97	-	0	1.31574 Hartree
98	-	0	1.31578 Hartree
99	-	0	1.83393 Hartree
100	-	0	1.83398 Hartree
101	-	0	1.84095 Hartree
102	-	0	1.93860 Hartree
103	-	0	1.93861 Hartree
104	-	0	2.65046 Hartree
105	-	0	3.31501 Hartree
106	-	0	4.18539 Hartree
107	-	0	4.21255 Hartree
108	-	0	4.21259 Hartree
109	-	0	4.24465 Hartree
110	-	0	4.56450 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	P	1.42489
2	Cl	-0.18853
3	F	-0.56764
4	Cl	-0.29161
5	Cl	-0.18855
6	Cl	-0.18855

Display Range		- / 110
Orbital	Description	Occupancy	Energy	Actions
1	P1 Cor(1s)	1.999999941	-75.479011733 Hartree
2	P1 Cor(2s)	1.999990610	-8.647532727 Hartree
3	P1 Val(3s)	1.184215501	-0.528375672 Hartree
4	P1 Ryd(4s)	0.002474465	0.419247779 Hartree
5	P1 Ryd(5s)	0.000055651	3.118627637 Hartree
6	P1 Cor(2p)	1.999992109	-4.948806049 Hartree
7	P1 Val(3p)	0.778912020	-0.246355999 Hartree
8	P1 Ryd(4p)	0.018138009	0.306573692 Hartree
9	P1 Cor(2p)	1.999987722	-4.947551305 Hartree
10	P1 Val(3p)	0.654773337	-0.159975911 Hartree
11	P1 Ryd(4p)	0.015705811	0.372537906 Hartree
12	P1 Cor(2p)	1.999992109	-4.948807111 Hartree
13	P1 Val(3p)	0.778908196	-0.246353718 Hartree
14	P1 Ryd(4p)	0.018143596	0.306436813 Hartree
15	P1 Ryd(3d)	0.015930020	0.582335196 Hartree
16	P1 Ryd(3d)	0.025634545	0.638514541 Hartree
17	P1 Ryd(3d)	0.015928833	0.582332868 Hartree
18	P1 Ryd(3d)	0.036930211	0.785561879 Hartree
19	P1 Ryd(3d)	0.029397826	0.687586789 Hartree
20	Cl2 Cor(1s)	1.999999994	-101.520239941 Hartree
21	Cl2 Cor(2s)	1.999992584	-9.579771687 Hartree
22	Cl2 Val(3s)	1.895409044	-0.794053316 Hartree
23	Cl2 Ryd(4s)	0.002038213	0.671743311 Hartree
24	Cl2 Ryd(5s)	0.000013797	4.205218227 Hartree
25	Cl2 Cor(2p)	1.999991545	-7.273567465 Hartree
26	Cl2 Val(3p)	1.409969352	-0.363087566 Hartree
27	Cl2 Ryd(4p)	0.001447458	0.515858759 Hartree
28	Cl2 Cor(2p)	1.999996913	-7.262875146 Hartree
29	Cl2 Val(3p)	1.966829979	-0.361380754 Hartree
30	Cl2 Ryd(4p)	0.000854290	0.495321058 Hartree
31	Cl2 Cor(2p)	1.999995951	-7.264613787 Hartree
32	Cl2 Val(3p)	1.901248092	-0.363314803 Hartree
33	Cl2 Ryd(4p)	0.000224485	0.488115225 Hartree
34	Cl2 Ryd(3d)	0.001814222	0.858853398 Hartree
35	Cl2 Ryd(3d)	0.002099731	0.857539546 Hartree
36	Cl2 Ryd(3d)	0.000042115	0.822528783 Hartree
37	Cl2 Ryd(3d)	0.005128263	0.939733841 Hartree
38	Cl2 Ryd(3d)	0.001438155	0.862187687 Hartree
39	F3 Cor(1s)	1.999998873	-24.729530485 Hartree
40	F3 Val(2s)	1.901837044	-1.106797361 Hartree
41	F3 Ryd(3s)	0.002494274	1.768445580 Hartree
42	F3 Ryd(4s)	0.000140099	3.938906365 Hartree
43	F3 Val(2p)	1.950731024	-0.441322027 Hartree
44	F3 Ryd(3p)	0.000334807	1.289852018 Hartree
45	F3 Val(2p)	1.751893978	-0.480009024 Hartree
46	F3 Ryd(3p)	0.000345989	1.858403930 Hartree
47	F3 Val(2p)	1.950730010	-0.441319895 Hartree
48	F3 Ryd(3p)	0.000334828	1.289898444 Hartree
49	F3 Ryd(3d)	0.002342847	1.882027021 Hartree
50	F3 Ryd(3d)	0.000060825	1.815541208 Hartree
51	F3 Ryd(3d)	0.002342670	1.882023261 Hartree
52	F3 Ryd(3d)	0.003009015	2.161319592 Hartree
53	F3 Ryd(3d)	0.001043569	1.930722393 Hartree
54	Cl4 Cor(1s)	1.999999995	-101.466143011 Hartree
55	Cl4 Cor(2s)	1.999994102	-9.562568658 Hartree
56	Cl4 Val(3s)	1.920203563	-0.770676647 Hartree
57	Cl4 Ryd(4s)	0.001570548	0.621254078 Hartree
58	Cl4 Ryd(5s)	0.000010736	4.225847242 Hartree
59	Cl4 Cor(2p)	1.999997286	-7.228040029 Hartree
60	Cl4 Val(3p)	1.964567595	-0.335776737 Hartree
61	Cl4 Ryd(4p)	0.000460104	0.495624519 Hartree
62	Cl4 Cor(2p)	1.999993157	-7.237507632 Hartree
63	Cl4 Val(3p)	1.430520539	-0.330347843 Hartree
64	Cl4 Ryd(4p)	0.001131706	0.565717714 Hartree
65	Cl4 Cor(2p)	1.999997285	-7.228042603 Hartree
66	Cl4 Val(3p)	1.964556515	-0.335776593 Hartree
67	Cl4 Ryd(4p)	0.000460879	0.495681095 Hartree
68	Cl4 Ryd(3d)	0.001287551	0.867283536 Hartree
69	Cl4 Ryd(3d)	0.000095263	0.862688656 Hartree
70	Cl4 Ryd(3d)	0.001290286	0.867210760 Hartree
71	Cl4 Ryd(3d)	0.004055459	0.940253269 Hartree
72	Cl4 Ryd(3d)	0.001413712	0.888640444 Hartree
73	Cl5 Cor(1s)	1.999999994	-101.520252471 Hartree
74	Cl5 Cor(2s)	1.999992583	-9.579798763 Hartree
75	Cl5 Val(3s)	1.895411214	-0.794064225 Hartree
76	Cl5 Ryd(4s)	0.002038303	0.671723416 Hartree
77	Cl5 Ryd(5s)	0.000013788	4.205154771 Hartree
78	Cl5 Cor(2p)	1.999994850	-7.266869850 Hartree
79	Cl5 Val(3p)	1.778428857	-0.363269356 Hartree
80	Cl5 Ryd(4p)	0.000530405	0.495055469 Hartree
81	Cl5 Cor(2p)	1.999996914	-7.262891711 Hartree
82	Cl5 Val(3p)	1.966832781	-0.361386027 Hartree
83	Cl5 Ryd(4p)	0.000854138	0.495253912 Hartree
84	Cl5 Cor(2p)	1.999992646	-7.271347585 Hartree
85	Cl5 Val(3p)	1.532803915	-0.363154574 Hartree
86	Cl5 Ryd(4p)	0.001142250	0.508942667 Hartree
87	Cl5 Ryd(3d)	0.000484678	0.831556838 Hartree
88	Cl5 Ryd(3d)	0.003959227	0.913974643 Hartree
89	Cl5 Ryd(3d)	0.001372455	0.849816756 Hartree
90	Cl5 Ryd(3d)	0.000923653	0.843549358 Hartree
91	Cl5 Ryd(3d)	0.003781937	0.901819084 Hartree
92	Cl6 Cor(1s)	1.999999994	-101.520252471 Hartree
93	Cl6 Cor(2s)	1.999992583	-9.579798763 Hartree
94	Cl6 Val(3s)	1.895411214	-0.794064225 Hartree
95	Cl6 Ryd(4s)	0.002038303	0.671723416 Hartree
96	Cl6 Ryd(5s)	0.000013788	4.205154771 Hartree
97	Cl6 Cor(2p)	1.999994850	-7.266869850 Hartree
98	Cl6 Val(3p)	1.778428857	-0.363269356 Hartree
99	Cl6 Ryd(4p)	0.000530405	0.495055469 Hartree
100	Cl6 Cor(2p)	1.999996914	-7.262891711 Hartree
101	Cl6 Val(3p)	1.966832781	-0.361386027 Hartree
102	Cl6 Ryd(4p)	0.000854138	0.495253912 Hartree
103	Cl6 Cor(2p)	1.999992646	-7.271347585 Hartree
104	Cl6 Val(3p)	1.532803915	-0.363154574 Hartree
105	Cl6 Ryd(4p)	0.001142250	0.508942667 Hartree
106	Cl6 Ryd(3d)	0.000484678	0.831556838 Hartree
107	Cl6 Ryd(3d)	0.003959227	0.913974643 Hartree
108	Cl6 Ryd(3d)	0.001372455	0.849816756 Hartree
109	Cl6 Ryd(3d)	0.000923653	0.843549358 Hartree
110	Cl6 Ryd(3d)	0.003781937	0.901819084 Hartree

Display Range		- / 110
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)P1 s(100.00%)	1.999999941	-75.479011733 Hartree
2	CR(2)P1 s(100.00%)	1.999990610	-8.647532727 Hartree
3	CR(3)P1 s(0.00%)p1.00(100.00%)	1.999992109	-4.948806049 Hartree
4	CR(4)P1 s(0.00%)p1.00(100.00%)	1.999987722	-4.947551305 Hartree
5	CR(5)P1 s(0.00%)p1.00(100.00%)	1.999992109	-4.948807111 Hartree
6	CR(1)Cl2 s(100.00%)	1.999999994	-101.520239941 Hartree
7	CR(2)Cl2 s(100.00%)	1.999992584	-9.579771687 Hartree
8	CR(3)Cl2 s(0.00%)p1.00(100.00%)	1.999991545	-7.273567465 Hartree
9	CR(4)Cl2 s(0.00%)p1.00(100.00%)	1.999996913	-7.262875146 Hartree
10	CR(5)Cl2 s(0.00%)p1.00(100.00%)	1.999995951	-7.264613787 Hartree
11	CR(1)F3 s(100.00%)	1.999998873	-24.729530485 Hartree
12	CR(1)Cl4 s(100.00%)	1.999999995	-101.466143011 Hartree
13	CR(2)Cl4 s(100.00%)	1.999994102	-9.562568658 Hartree
14	CR(3)Cl4 s(0.00%)p1.00(100.00%)	1.999997286	-7.228040029 Hartree
15	CR(4)Cl4 s(0.00%)p1.00(100.00%)	1.999993157	-7.237507632 Hartree
16	CR(5)Cl4 s(0.00%)p1.00(100.00%)	1.999997285	-7.228042603 Hartree
17	CR(1)Cl5 s(100.00%)	1.999999994	-101.520252471 Hartree
18	CR(2)Cl5 s(100.00%)	1.999992583	-9.579798763 Hartree
19	CR(3)Cl5 s(0.00%)p1.00(100.00%)	1.999994850	-7.266869850 Hartree
20	CR(4)Cl5 s(0.00%)p1.00(100.00%)	1.999996914	-7.262891711 Hartree
21	CR(5)Cl5 s(0.00%)p1.00(100.00%)	1.999992646	-7.271347585 Hartree
22	CR(1)Cl6 s(100.00%)	1.999999994	-101.520252471 Hartree
23	CR(2)Cl6 s(100.00%)	1.999992583	-9.579798763 Hartree
24	CR(3)Cl6 s(0.00%)p1.00(100.00%)	1.999994850	-7.266869850 Hartree
25	CR(4)Cl6 s(0.00%)p1.00(100.00%)	1.999996914	-7.262891711 Hartree
26	CR(5)Cl6 s(0.00%)p1.00(100.00%)	1.999992646	-7.271347585 Hartree
27	LP(1)Cl2 s(85.53%)p0.17(14.47%)d0.00(0.00%)	1.985003863	-0.743205417 Hartree
28	LP(2)Cl2 s(0.96%)p99.99(99.00%)d0.05(0.05%)	1.968107850	-0.365694081 Hartree
29	LP(3)Cl2 s(0.00%)p1.00(99.91%)d0.00(0.09%)	1.903046138	-0.363393810 Hartree
30	LP(1)F3 s(74.27%)p0.35(25.72%)d0.00(0.01%)	1.979767650	-0.917352190 Hartree
31	LP(2)F3 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.953020568	-0.442994792 Hartree
32	LP(3)F3 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.953019331	-0.442992575 Hartree
33	LP(1)Cl4 s(89.70%)p0.11(10.30%)d0.00(0.00%)	1.983443914	-0.732893100 Hartree
34	LP(2)Cl4 s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.965461112	-0.335998589 Hartree
35	LP(3)Cl4 s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.965453413	-0.335999896 Hartree
36	LP(1)Cl5 s(85.52%)p0.17(14.47%)d0.00(0.00%)	1.985003001	-0.743206950 Hartree
37	LP(2)Cl5 s(0.96%)p99.99(99.00%)d0.05(0.05%)	1.968110911	-0.365707266 Hartree
38	LP(3)Cl5 s(0.00%)p1.00(99.91%)d0.00(0.09%)	1.903044923	-0.363406870 Hartree
39	LP(1)Cl6 s(85.52%)p0.17(14.47%)d0.00(0.00%)	1.985003001	-0.743206950 Hartree
40	LP(2)Cl6 s(0.96%)p99.99(99.00%)d0.05(0.05%)	1.968110911	-0.365707266 Hartree
41	LP(3)Cl6 s(0.00%)p1.00(99.91%)d0.00(0.09%)	1.903044923	-0.363406870 Hartree
42	BD(1)P1(Cl2) 1s(21.24%)p3.09(65.55%)d0.62(13.21%)	0.779876473	-0.169619311 Hartree
43	BD(1)Cl2(P1) 2s(13.49%)p6.38(86.01%)d0.04(0.51%)	1.326753348	-0.402480212 Hartree
44	BD(1)P1(F3) 1s(17.03%)p2.79(47.52%)d2.08(35.45%)	0.408093287	0.231580907 Hartree
45	BD(1)F3(P1) 3s(25.72%)p2.88(74.06%)d0.01(0.22%)	1.678102409	-0.673030698 Hartree
46	BD(1)P1(Cl4) 1s(19.36%)p2.70(52.23%)d1.47(28.41%)	0.682203135	-0.018797796 Hartree
47	BD(1)Cl4(P1) 4s(10.27%)p8.69(89.31%)d0.04(0.42%)	1.372648672	-0.363089910 Hartree
48	BD(1)P1(Cl5) 1s(21.24%)p3.09(65.55%)d0.62(13.22%)	0.779863594	-0.169614640 Hartree
49	BD(1)Cl5(P1) 5s(13.49%)p6.38(86.01%)d0.04(0.51%)	1.326772535	-0.402489994 Hartree
50	BD(1)P1(Cl6) 1s(21.24%)p3.09(65.55%)d0.62(13.22%)	0.779863594	-0.169614640 Hartree
51	BD(1)Cl6(P1) 6s(13.49%)p6.38(86.01%)d0.04(0.51%)	1.326772535	-0.402489994 Hartree
52	RY(1)P1 s(0.00%)p1.00(42.22%)d1.37(57.78%)	0.041388738	0.398410476 Hartree
53	RY(2)P1 s(0.00%)p1.00(42.21%)d1.37(57.79%)	0.041378007	0.398525978 Hartree
54	RY(3)P1 s(4.51%)p21.18(95.49%)d0.00(0.00%)	0.017018722	0.359410751 Hartree
55	RY(4)P1 s(0.00%)p1.00(0.17%)d99.99(99.83%)	0.015889667	0.581402804 Hartree
56	RY(5)P1 s(0.00%)p1.00(0.17%)d99.99(99.83%)	0.015888394	0.581397516 Hartree
57	RY(6)P1 s(0.00%)p1.00(59.39%)d0.68(40.61%)	0.006057218	0.522713237 Hartree
58	RY(7)P1 s(0.00%)p1.00(59.38%)d0.68(40.62%)	0.006057199	0.522613528 Hartree
59	RY(8)P1 s(95.58%)p0.05(4.41%)d0.00(0.00%)	0.001553751	0.486096292 Hartree
60	RY(9)P1 s(99.81%)p0.00(0.16%)d0.00(0.03%)	0.000016241	3.064188698 Hartree
61	RY(1)Cl2 s(64.27%)p0.48(30.94%)d0.07(4.79%)	0.003333594	0.698616075 Hartree
62	RY(2)Cl2 s(0.09%)p23.36(2.18%)d99.99(97.73%)	0.000869614	0.859161372 Hartree
63	RY(3)Cl2 s(4.42%)p20.19(89.28%)d1.42(6.29%)	0.000656073	0.524287677 Hartree
64	RY(4)Cl2 s(0.00%)p1.00(24.79%)d3.03(75.21%)	0.000486097	0.687443593 Hartree
65	RY(5)Cl2 s(3.30%)p0.34(1.14%)d28.92(95.56%)	0.000120104	0.995612880 Hartree
66	RY(6)Cl2 s(7.10%)p2.00(14.21%)d11.09(78.69%)	0.000087851	0.802742477 Hartree
67	RY(7)Cl2 s(0.00%)p1.00(39.79%)d1.51(60.21%)	0.000060623	0.740418580 Hartree
68	RY(8)Cl2 s(0.00%)p1.00(35.51%)d1.82(64.49%)	0.000021564	0.740400388 Hartree
69	RY(9)Cl2 s(34.00%)p1.59(54.02%)d0.35(11.98%)	0.000010036	0.912700616 Hartree
70	RY(10)Cl2 s(86.84%)p0.10(8.75%)d0.05(4.41%)	0.000000439	3.748653257 Hartree
71	RY(1)F3 s(89.31%)p0.11(10.24%)d0.01(0.45%)	0.002652281	2.024132589 Hartree
72	RY(2)F3 s(0.00%)p1.00(92.95%)d0.08(7.05%)	0.000346591	1.346285934 Hartree
73	RY(3)F3 s(0.00%)p1.00(92.96%)d0.08(7.04%)	0.000346651	1.346272862 Hartree
74	RY(4)F3 s(78.21%)p0.11(8.54%)d0.17(13.25%)	0.000162835	3.281104284 Hartree
75	RY(5)F3 s(0.00%)p1.00(4.67%)d20.42(95.33%)	0.000082712	1.808416803 Hartree
76	RY(6)F3 s(0.00%)p1.00(4.66%)d20.44(95.34%)	0.000082703	1.808494015 Hartree
77	RY(7)F3 s(0.00%)p1.00(2.50%)d39.06(97.50%)	0.000019649	1.834368716 Hartree
78	RY(8)F3 s(0.00%)p1.00(2.50%)d39.05(97.50%)	0.000019648	1.834343456 Hartree
79	RY(9)F3 s(8.60%)p6.32(54.34%)d4.31(37.06%)	0.000011293	1.376937234 Hartree
80	RY(10)F3 s(23.90%)p1.13(27.11%)d2.05(48.99%)	0.000006660	3.163705866 Hartree
81	RY(1)Cl4 s(65.93%)p0.43(28.46%)d0.09(5.61%)	0.002625989	0.681321684 Hartree
82	RY(2)Cl4 s(0.00%)p1.00(38.86%)d1.57(61.14%)	0.000674558	0.662423266 Hartree
83	RY(3)Cl4 s(0.00%)p1.00(38.90%)d1.57(61.10%)	0.000674798	0.662179941 Hartree
84	RY(4)Cl4 s(0.00%)p1.00(47.35%)d1.11(52.65%)	0.000237312	0.741724880 Hartree
85	RY(5)Cl4 s(0.00%)p1.00(47.31%)d1.11(52.69%)	0.000237280	0.741899258 Hartree
86	RY(6)Cl4 s(6.81%)p0.10(0.66%)d13.59(92.53%)	0.000055975	1.037111182 Hartree
87	RY(7)Cl4 s(0.00%)p1.00(13.83%)d6.23(86.17%)	0.000037452	0.821724615 Hartree
88	RY(8)Cl4 s(0.00%)p1.00(13.83%)d6.23(86.17%)	0.000037436	0.821723133 Hartree
89	RY(9)Cl4 s(31.72%)p2.14(67.85%)d0.01(0.43%)	0.000035479	0.565874901 Hartree
90	RY(10)Cl4 s(95.56%)p0.04(3.42%)d0.01(1.02%)	0.000001067	4.089622128 Hartree
91	RY(1)Cl5 s(64.27%)p0.48(30.94%)d0.07(4.79%)	0.003333955	0.698609760 Hartree
92	RY(2)Cl5 s(0.09%)p23.70(2.19%)d99.99(97.72%)	0.000869561	0.859194313 Hartree
93	RY(3)Cl5 s(4.43%)p20.16(89.28%)d1.42(6.29%)	0.000656141	0.524192286 Hartree
94	RY(4)Cl5 s(0.00%)p1.00(24.76%)d3.04(75.24%)	0.000485832	0.687555965 Hartree
95	RY(5)Cl5 s(3.30%)p0.35(1.14%)d28.98(95.56%)	0.000120138	0.995342592 Hartree
96	RY(6)Cl5 s(7.10%)p2.00(14.19%)d11.09(78.71%)	0.000087858	0.802936707 Hartree
97	RY(7)Cl5 s(0.00%)p1.00(39.88%)d1.51(60.12%)	0.000060665	0.740169153 Hartree
98	RY(8)Cl5 s(0.00%)p1.00(35.45%)d1.82(64.55%)	0.000021600	0.740491554 Hartree
99	RY(9)Cl5 s(34.00%)p1.59(54.02%)d0.35(11.97%)	0.000010038	0.912783948 Hartree
100	RY(10)Cl5 s(86.84%)p0.10(8.75%)d0.05(4.41%)	0.000000440	3.748507535 Hartree
101	RY(1)Cl6 s(64.27%)p0.48(30.94%)d0.07(4.79%)	0.003333955	0.698609760 Hartree
102	RY(2)Cl6 s(0.09%)p23.70(2.19%)d99.99(97.72%)	0.000869561	0.859194313 Hartree
103	RY(3)Cl6 s(4.43%)p20.16(89.28%)d1.42(6.29%)	0.000656141	0.524192286 Hartree
104	RY(4)Cl6 s(0.00%)p1.00(24.76%)d3.04(75.24%)	0.000485832	0.687555965 Hartree
105	RY(5)Cl6 s(3.30%)p0.35(1.14%)d28.98(95.56%)	0.000120138	0.995342592 Hartree
106	RY(6)Cl6 s(7.10%)p2.00(14.19%)d11.09(78.71%)	0.000087858	0.802936707 Hartree
107	RY(7)Cl6 s(0.00%)p1.00(39.88%)d1.51(60.12%)	0.000060665	0.740169153 Hartree
108	RY(8)Cl6 s(0.00%)p1.00(35.45%)d1.82(64.55%)	0.000021600	0.740491554 Hartree
109	RY(9)Cl6 s(34.00%)p1.59(54.02%)d0.35(11.97%)	0.000010038	0.912783949 Hartree
110	RY(10)Cl6 s(86.84%)p0.10(8.75%)d0.05(4.41%)	0.000000440	3.748507534 Hartree

Display Range		- / 110
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)P1	115	1.999999941	-75.479011733 Hartree
2	CR(2)P1	116	1.999990610	-8.647532727 Hartree
3	CR(3)P1	117	1.999992109	-4.948806049 Hartree
4	CR(4)P1	118	1.999987722	-4.947551305 Hartree
5	CR(5)P1	119	1.999992109	-4.948807111 Hartree
6	CR(1)Cl2	120	1.999999994	-101.520239941 Hartree
7	CR(2)Cl2	121	1.999992584	-9.579771687 Hartree
8	CR(3)Cl2	122	1.999991545	-7.273567465 Hartree
9	CR(4)Cl2	123	1.999996913	-7.262875146 Hartree
10	CR(5)Cl2	124	1.999995951	-7.264613787 Hartree
11	CR(1)F3	125	1.999998873	-24.729530485 Hartree
12	CR(1)Cl4	126	1.999999995	-101.466143011 Hartree
13	CR(2)Cl4	127	1.999994102	-9.562568658 Hartree
14	CR(3)Cl4	128	1.999997286	-7.228040029 Hartree
15	CR(4)Cl4	129	1.999993157	-7.237507632 Hartree
16	CR(5)Cl4	130	1.999997285	-7.228042603 Hartree
17	CR(1)Cl5	131	1.999999994	-101.520252471 Hartree
18	CR(2)Cl5	132	1.999992583	-9.579798763 Hartree
19	CR(3)Cl5	133	1.999994850	-7.266869850 Hartree
20	CR(4)Cl5	134	1.999996914	-7.262891711 Hartree
21	CR(5)Cl5	135	1.999992646	-7.271347585 Hartree
22	CR(1)Cl6	136	1.999999994	-101.520252471 Hartree
23	CR(2)Cl6	137	1.999992583	-9.579798763 Hartree
24	CR(3)Cl6	138	1.999994850	-7.266869850 Hartree
25	CR(4)Cl6	139	1.999996914	-7.262891711 Hartree
26	CR(5)Cl6	140	1.999992646	-7.271347585 Hartree
27	LP(1)Cl2	141	1.985003863	-0.743205417 Hartree
28	LP(2)Cl2	142	1.968107850	-0.365694081 Hartree
29	LP(3)Cl2	143	1.903046138	-0.363393810 Hartree
30	LP(1)F3	144	1.979767650	-0.917352190 Hartree
31	LP(2)F3	145	1.953020568	-0.442994792 Hartree
32	LP(3)F3	146	1.953019331	-0.442992575 Hartree
33	LP(1)Cl4	147	1.983443914	-0.732893100 Hartree
34	LP(2)Cl4	148	1.965461112	-0.335998589 Hartree
35	LP(3)Cl4	149	1.965453413	-0.335999896 Hartree
36	LP(1)Cl5	150	1.985003001	-0.743206950 Hartree
37	LP(2)Cl5	151	1.968110911	-0.365707266 Hartree
38	LP(3)Cl5	152	1.903044923	-0.363406870 Hartree
39	LP(1)Cl6	153	1.985003001	-0.743206950 Hartree
40	LP(2)Cl6	154	1.968110911	-0.365707266 Hartree
41	LP(3)Cl6	155	1.903044923	-0.363406870 Hartree
42	BD(1)P1-Cl2	156, 157	1.917272049	-0.608001546 Hartree
43	BD(1)P1-F3	158, 159	1.909514419	-0.803901320 Hartree
44	BD(1)P1-Cl4	160, 161	1.854303889	-0.504408667 Hartree
45	BD(1)P1-Cl5	162, 163	1.917270257	-0.607999601 Hartree
46	BD(1)P1-Cl6	164, 165	1.917270257	-0.607999601 Hartree
47	BD*(1)P1-Cl2		0.189357772	0.035902024 Hartree
48	BD*(1)P1-F3		0.176681277	0.362451529 Hartree
49	BD*(1)P1-Cl4		0.200547918	0.122520961 Hartree
50	BD*(1)P1-Cl5		0.189365873	0.035894967 Hartree
51	BD*(1)P1-Cl6		0.189365873	0.035894967 Hartree
52	RY(1)P1	166	0.041388738	0.398410476 Hartree
53	RY(2)P1	167	0.041378007	0.398525978 Hartree
54	RY(3)P1	168	0.017018722	0.359410751 Hartree
55	RY(4)P1	169	0.015889667	0.581402804 Hartree
56	RY(5)P1	170	0.015888394	0.581397516 Hartree
57	RY(6)P1	171	0.006057218	0.522713237 Hartree
58	RY(7)P1	172	0.006057199	0.522613528 Hartree
59	RY(8)P1	173	0.001553751	0.486096292 Hartree
60	RY(9)P1	174	0.000016241	3.064188698 Hartree
61	RY(1)Cl2	175	0.003333594	0.698616075 Hartree
62	RY(2)Cl2	176	0.000869614	0.859161372 Hartree
63	RY(3)Cl2	177	0.000656073	0.524287677 Hartree
64	RY(4)Cl2	178	0.000486097	0.687443593 Hartree
65	RY(5)Cl2	179	0.000120104	0.995612880 Hartree
66	RY(6)Cl2	180	0.000087851	0.802742477 Hartree
67	RY(7)Cl2	181	0.000060623	0.740418580 Hartree
68	RY(8)Cl2	182	0.000021564	0.740400388 Hartree
69	RY(9)Cl2	183	0.000010036	0.912700616 Hartree
70	RY(10)Cl2	184	0.000000439	3.748653257 Hartree
71	RY(1)F3	185	0.002652281	2.024132589 Hartree
72	RY(2)F3	186	0.000346591	1.346285934 Hartree
73	RY(3)F3	187	0.000346651	1.346272862 Hartree
74	RY(4)F3	188	0.000162835	3.281104284 Hartree
75	RY(5)F3	189	0.000082712	1.808416803 Hartree
76	RY(6)F3	190	0.000082703	1.808494015 Hartree
77	RY(7)F3	191	0.000019649	1.834368716 Hartree
78	RY(8)F3	192	0.000019648	1.834343456 Hartree
79	RY(9)F3	193	0.000011293	1.376937234 Hartree
80	RY(10)F3	194	0.000006660	3.163705866 Hartree
81	RY(1)Cl4	195	0.002625989	0.681321684 Hartree
82	RY(2)Cl4	196	0.000674558	0.662423266 Hartree
83	RY(3)Cl4	197	0.000674798	0.662179941 Hartree
84	RY(4)Cl4	198	0.000237312	0.741724880 Hartree
85	RY(5)Cl4	199	0.000237280	0.741899258 Hartree
86	RY(6)Cl4	200	0.000055975	1.037111182 Hartree
87	RY(7)Cl4	201	0.000037452	0.821724615 Hartree
88	RY(8)Cl4	202	0.000037436	0.821723133 Hartree
89	RY(9)Cl4	203	0.000035479	0.565874901 Hartree
90	RY(10)Cl4	204	0.000001067	4.089622128 Hartree
91	RY(1)Cl5	205	0.003333955	0.698609760 Hartree
92	RY(2)Cl5	206	0.000869561	0.859194313 Hartree
93	RY(3)Cl5	207	0.000656141	0.524192286 Hartree
94	RY(4)Cl5	208	0.000485832	0.687555965 Hartree
95	RY(5)Cl5	209	0.000120138	0.995342592 Hartree
96	RY(6)Cl5	210	0.000087858	0.802936707 Hartree
97	RY(7)Cl5	211	0.000060665	0.740169153 Hartree
98	RY(8)Cl5	212	0.000021600	0.740491554 Hartree
99	RY(9)Cl5	213	0.000010038	0.912783948 Hartree
100	RY(10)Cl5	214	0.000000440	3.748507535 Hartree
101	RY(1)Cl6	215	0.003333955	0.698609760 Hartree
102	RY(2)Cl6	216	0.000869561	0.859194313 Hartree
103	RY(3)Cl6	217	0.000656141	0.524192286 Hartree
104	RY(4)Cl6	218	0.000485832	0.687555965 Hartree
105	RY(5)Cl6	219	0.000120138	0.995342592 Hartree
106	RY(6)Cl6	220	0.000087858	0.802936707 Hartree
107	RY(7)Cl6	221	0.000060665	0.740169153 Hartree
108	RY(8)Cl6	222	0.000021600	0.740491554 Hartree
109	RY(9)Cl6	223	0.000010038	0.912783949 Hartree
110	RY(10)Cl6	224	0.000000440	3.748507534 Hartree

"THE ACADEMIC HIERARCHY" THE PRESIDENT: LEAPS TALL BUILDINGS IN A SINGLE BOUND, IS MORE POWERFUL THAN A LOCOMOTIVE, IS FASTER THAN A SPEEDING BULLET, WALKS ON WATER, GIVES POLICY TO GOD. THE VICE PRESIDENT FOR ACADEMIC AFFAIRS: LEAPS SHORT BUILDINGS IN A SINGLE BOUND, IS MORE POWERFUL THAN A SWITCH ENGINE, IS JUST AS FAST AS A SPEEDING BULLET, WALKS ON WATER IF SEA IS CALM, TALKS WITH GOD. PROFESSOR: LEAPS SHORT BUILDINGS WITH A RUNNING START AND FAVORABLE WINDS, IS ALMOST AS POWERFUL AS A SWITCH ENGINE, CAN FIRE A SPEEDING BULLET, WALKS ON WATER IN AN INDOOR SWIMMING POOL, TALKS WITH GOD IF SPECIAL REQUEST IS APPROVED. ASSOCIATE PROFESSOR: BARELY CLEARS A QUONSET HUT, LOSES TUG OF WAR WITH LOCOMOTIVE, MISFIRES FREQUENTLY, SWIMS WELL, IS OCCASIONALLY ADDRESSED BY GOD. ASSISTANT PROFESSOR: MAKES HIGH MARKS ON WALLS WHEN TRYING TO LEAP TALL BUILDINGS, IS RUN OVER BY LOCOMOTIVES, CAN SOMETIMES HANDLE A GUN WITHOUT INFLICTING SELF INJURY, DOG PADDLES, TALKS TO ANIMALS. GRADUATE STUDENT: RUNS INTO BUILDINGS, RECOGNIZES LOCOMOTIVES TWO OUT OF THREE TIMES, IS NOT ISSUED AMMUNITION, CAN STAY AFLOAT WITH A LIFE JACKET, TALKS TO WALLS. UNDERGRADUATE AND WORK STUDY STUDENT: FALLS OVER DOORSTEP WHEN TRYING TO ENTER BUILDINGS, SAYS, "LOOK AT THE CHOO-CHOO," WETS HIMSELF WITH A WATER PISTOL, PLAYS IN MUD PUDDLES, MUMBLES TO HIMSELF. DEPARTMENT SECRETARY: LIFTS TALL BUILDINGS AND WALKS UNDER THEM, KICKS LOCOMOTIVES OFF THE TRACKS, CATCHES SPEEDING BULLETS IN HER TEETH AND EATS THEM, FREEZES WATER WITH A SINGLE GLANCE, IS GOD.