WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	Br3P
Symmetry	C3V
Basis	6-31G(d)
RB3LYP Energy	-8056.54050038 Hartree
Dipole Moment	0.5563 Debye
Server	batch (498889)
CPU time	8.6 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.9923222	0.03310030568
b	0.9923222	0.03310030568
c	0.5245461	0.01749697452

Display Range		- / 109
Orbital	Symmetry	Occupancy	Energy	Actions
1	E	2	-482.93159 Hartree
2	E	2	-482.93159 Hartree
3	A1	2	-482.93152 Hartree
4	A1	2	-77.21511 Hartree
5	E	2	-61.89478 Hartree
6	E	2	-61.89478 Hartree
7	A1	2	-61.89414 Hartree
8	E	2	-56.41443 Hartree
9	E	2	-56.41443 Hartree
10	A1	2	-56.41407 Hartree
11	A2	2	-56.41136 Hartree
12	E	2	-56.41127 Hartree
13	E	2	-56.41127 Hartree
14	E	2	-56.41107 Hartree
15	E	2	-56.41107 Hartree
16	A1	2	-56.41103 Hartree
17	E	2	-8.60651 Hartree
18	E	2	-8.60651 Hartree
19	A1	2	-8.60632 Hartree
20	A1	2	-6.67606 Hartree
21	E	2	-6.55913 Hartree
22	E	2	-6.55913 Hartree
23	A1	2	-6.55911 Hartree
24	A2	2	-6.54803 Hartree
25	E	2	-6.54802 Hartree
26	E	2	-6.54802 Hartree
27	E	2	-6.54776 Hartree
28	E	2	-6.54776 Hartree
29	A1	2	-6.54775 Hartree
30	E	2	-4.83804 Hartree
31	E	2	-4.83804 Hartree
32	A1	2	-4.83370 Hartree
33	A1	2	-2.67502 Hartree
34	E	2	-2.67500 Hartree
35	E	2	-2.67500 Hartree
36	A2	2	-2.67194 Hartree
37	E	2	-2.67193 Hartree
38	E	2	-2.67193 Hartree
39	E	2	-2.67172 Hartree
40	E	2	-2.67172 Hartree
41	A1	2	-2.67172 Hartree
42	A2	2	-2.66286 Hartree
43	E	2	-2.66286 Hartree
44	E	2	-2.66286 Hartree
45	E	2	-2.66286 Hartree
46	E	2	-2.66286 Hartree
47	A1	2	-2.66286 Hartree
48	A1	2	-0.83969 Hartree
49	E	2	-0.78297 Hartree
50	E	2	-0.78297 Hartree
51	A1	2	-0.60455 Hartree
52	E	2	-0.42589 Hartree
53	E	2	-0.42589 Hartree
54	A1	2	-0.38335 Hartree
55	E	2	-0.33187 Hartree
56	E	2	-0.33187 Hartree
57	E	2	-0.30594 Hartree
58	E	2	-0.30594 Hartree
59	A2	2	-0.29670 Hartree
60	A1	2	-0.28056 Hartree
61	A1	0	-0.08851 Hartree
62	E	0	-0.06937 Hartree
63	E	0	-0.06937 Hartree
64	A1	0	0.17937 Hartree
65	E	0	0.20180 Hartree
66	E	0	0.20180 Hartree
67	A1	0	0.27560 Hartree
68	E	0	0.28137 Hartree
69	E	0	0.28137 Hartree
70	E	0	0.30325 Hartree
71	E	0	0.30325 Hartree
72	A1	0	0.32769 Hartree
73	E	0	0.41569 Hartree
74	E	0	0.41569 Hartree
75	A1	0	0.42310 Hartree
76	A2	0	0.43417 Hartree
77	A1	0	0.44486 Hartree
78	E	0	0.44613 Hartree
79	E	0	0.44613 Hartree
80	A2	0	0.45851 Hartree
81	E	0	0.46042 Hartree
82	E	0	0.46042 Hartree
83	A1	0	0.48574 Hartree
84	E	0	0.49048 Hartree
85	E	0	0.49048 Hartree
86	E	0	0.50041 Hartree
87	E	0	0.50041 Hartree
88	E	0	0.60486 Hartree
89	E	0	0.60486 Hartree
90	A1	0	0.61021 Hartree
91	A2	0	0.64463 Hartree
92	E	0	0.71544 Hartree
93	E	0	0.71544 Hartree
94	A1	0	0.77699 Hartree
95	E	0	0.78628 Hartree
96	E	0	0.78628 Hartree
97	A1	0	0.96059 Hartree
98	E	0	1.07050 Hartree
99	E	0	1.07050 Hartree
100	A1	0	1.55231 Hartree
101	E	0	1.59092 Hartree
102	E	0	1.59092 Hartree
103	A1	0	3.31820 Hartree
104	A1	0	8.59429 Hartree
105	E	0	8.62569 Hartree
106	E	0	8.62569 Hartree
107	A1	0	72.89566 Hartree
108	E	0	73.71262 Hartree
109	E	0	73.71262 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	P	0.52559
2	Br	-0.17520
3	Br	-0.17520
4	Br	-0.17520

Display Range		- / 109
Orbital	Description	Occupancy	Energy	Actions
1	P1 Cor(1S)	1.999999572	-77.041151924 Hartree
2	P1 Cor(2S)	1.999829401	-6.762172316 Hartree
3	P1 Val(3S)	1.787235701	-0.632507024 Hartree
4	P1 Ryd(4S)	0.011829375	0.327661468 Hartree
5	P1 Ryd(5S)	0.000003504	3.293099192 Hartree
6	P1 Cor(2p)	1.999969285	-4.835976466 Hartree
7	P1 Val(3p)	0.734926993	-0.239412765 Hartree
8	P1 Ryd(4p)	0.010360828	0.294523662 Hartree
9	P1 Cor(2p)	1.999969285	-4.835976466 Hartree
10	P1 Val(3p)	0.734926993	-0.239412765 Hartree
11	P1 Ryd(4p)	0.010360828	0.294523662 Hartree
12	P1 Cor(2p)	1.999981713	-4.832550299 Hartree
13	P1 Val(3p)	1.126204307	-0.252010286 Hartree
14	P1 Ryd(4p)	0.003952448	0.301321913 Hartree
15	P1 Ryd(3d)	0.012500586	0.623981363 Hartree
16	P1 Ryd(3d)	0.011721672	0.635821080 Hartree
17	P1 Ryd(3d)	0.011721672	0.635821080 Hartree
18	P1 Ryd(3d)	0.012500586	0.623981363 Hartree
19	P1 Ryd(3d)	0.006413070	0.606288469 Hartree
20	Br2 Cor(1S)	2.000000000	-476.740965317 Hartree
21	Br2 Cor(2S)	1.999941882	-64.405956736 Hartree
22	Br2 Cor(3S)	1.999889134	-11.924532018 Hartree
23	Br2 Val(4S)	1.917606187	-1.071564344 Hartree
24	Br2 Ryd(5S)	0.000162496	1.547570443 Hartree
25	Br2 Ryd(6S)	0.000039014	4.587637295 Hartree
26	Br2 Ryd(8S)	0.000019076	42.519138719 Hartree
27	Br2 Ryd(7S)	0.000000152	35.244203525 Hartree
28	Br2 Cor(2p)	1.999998174	-55.678910632 Hartree
29	Br2 Cor(3p)	1.999990838	-7.276943521 Hartree
30	Br2 Val(4p)	1.928623818	-0.314691442 Hartree
31	Br2 Ryd(5p)	0.000165827	0.539080891 Hartree
32	Br2 Cor(2p)	1.999992595	-55.681614243 Hartree
33	Br2 Cor(3p)	1.999923817	-7.284792080 Hartree
34	Br2 Val(4p)	1.471575331	-0.315814057 Hartree
35	Br2 Ryd(5p)	0.000585733	0.724080662 Hartree
36	Br2 Cor(2p)	1.999997978	-55.679397582 Hartree
37	Br2 Cor(3p)	1.999974994	-7.278287988 Hartree
38	Br2 Val(4p)	1.843062593	-0.314261530 Hartree
39	Br2 Ryd(5p)	0.000473254	0.562663637 Hartree
40	Br2 Cor(3d)	1.999984897	-2.670372527 Hartree
41	Br2 Ryd(4d)	0.002468651	0.504698776 Hartree
42	Br2 Cor(3d)	1.999994177	-2.664381543 Hartree
43	Br2 Ryd(4d)	0.000658267	0.471200016 Hartree
44	Br2 Cor(3d)	1.999966374	-2.671723911 Hartree
45	Br2 Ryd(4d)	0.004269218	0.575595906 Hartree
46	Br2 Cor(3d)	1.999964064	-2.670391389 Hartree
47	Br2 Ryd(4d)	0.003979541	0.576632524 Hartree
48	Br2 Cor(3d)	1.999989236	-2.667255383 Hartree
49	Br2 Ryd(4d)	0.001900077	0.491325233 Hartree
50	Br3 Cor(1S)	2.000000000	-476.740965317 Hartree
51	Br3 Cor(2S)	1.999941882	-64.405956736 Hartree
52	Br3 Cor(3S)	1.999889134	-11.924532017 Hartree
53	Br3 Val(4S)	1.917606187	-1.071564344 Hartree
54	Br3 Ryd(5S)	0.000162496	1.547570444 Hartree
55	Br3 Ryd(6S)	0.000039014	4.587637259 Hartree
56	Br3 Ryd(8S)	0.000019076	42.519138665 Hartree
57	Br3 Ryd(7S)	0.000000152	35.244203615 Hartree
58	Br3 Cor(2p)	1.999993990	-55.680938340 Hartree
59	Br3 Cor(3p)	1.999940572	-7.282829940 Hartree
60	Br3 Val(4p)	1.585837453	-0.315533403 Hartree
61	Br3 Ryd(5p)	0.000480756	0.677830719 Hartree
62	Br3 Cor(2p)	1.999996779	-55.679586535 Hartree
63	Br3 Cor(3p)	1.999974082	-7.278905661 Hartree
64	Br3 Val(4p)	1.814361696	-0.314972096 Hartree
65	Br3 Ryd(5p)	0.000270803	0.585330834 Hartree
66	Br3 Cor(2p)	1.999997978	-55.679397582 Hartree
67	Br3 Cor(3p)	1.999974994	-7.278287988 Hartree
68	Br3 Val(4p)	1.843062593	-0.314261530 Hartree
69	Br3 Ryd(5p)	0.000473254	0.562663637 Hartree
70	Br3 Cor(3d)	1.999969272	-2.670386673 Hartree
71	Br3 Ryd(4d)	0.003601818	0.558649087 Hartree
72	Br3 Cor(3d)	1.999973325	-2.669888319 Hartree
73	Br3 Ryd(4d)	0.003366480	0.549496934 Hartree
74	Br3 Cor(3d)	1.999987227	-2.666217135 Hartree
75	Br3 Ryd(4d)	0.001561004	0.497298989 Hartree
76	Br3 Cor(3d)	1.999979689	-2.670377242 Hartree
77	Br3 Ryd(4d)	0.002846373	0.522682213 Hartree
78	Br3 Cor(3d)	1.999989236	-2.667255383 Hartree
79	Br3 Ryd(4d)	0.001900077	0.491325233 Hartree
80	Br4 Cor(1S)	2.000000000	-476.740965318 Hartree
81	Br4 Cor(2S)	1.999941882	-64.405956735 Hartree
82	Br4 Cor(3S)	1.999889134	-11.924532017 Hartree
83	Br4 Val(4S)	1.917606187	-1.071564344 Hartree
84	Br4 Ryd(5S)	0.000162496	1.547570433 Hartree
85	Br4 Ryd(6S)	0.000039014	4.587637004 Hartree
86	Br4 Ryd(8S)	0.000019076	42.519136961 Hartree
87	Br4 Ryd(7S)	0.000000152	35.244205585 Hartree
88	Br4 Cor(2p)	1.999993990	-55.680938340 Hartree
89	Br4 Cor(3p)	1.999940572	-7.282829941 Hartree
90	Br4 Val(4p)	1.585837453	-0.315533403 Hartree
91	Br4 Ryd(5p)	0.000480756	0.677830719 Hartree
92	Br4 Cor(2p)	1.999996779	-55.679586534 Hartree
93	Br4 Cor(3p)	1.999974082	-7.278905661 Hartree
94	Br4 Val(4p)	1.814361696	-0.314972096 Hartree
95	Br4 Ryd(5p)	0.000270803	0.585330834 Hartree
96	Br4 Cor(2p)	1.999997978	-55.679397581 Hartree
97	Br4 Cor(3p)	1.999974994	-7.278287989 Hartree
98	Br4 Val(4p)	1.843062593	-0.314261530 Hartree
99	Br4 Ryd(5p)	0.000473254	0.562663637 Hartree
100	Br4 Cor(3d)	1.999969272	-2.670386673 Hartree
101	Br4 Ryd(4d)	0.003601818	0.558649087 Hartree
102	Br4 Cor(3d)	1.999973325	-2.669888319 Hartree
103	Br4 Ryd(4d)	0.003366480	0.549496934 Hartree
104	Br4 Cor(3d)	1.999987227	-2.666217135 Hartree
105	Br4 Ryd(4d)	0.001561004	0.497298989 Hartree
106	Br4 Cor(3d)	1.999979689	-2.670377242 Hartree
107	Br4 Ryd(4d)	0.002846373	0.522682213 Hartree
108	Br4 Cor(3d)	1.999989236	-2.667255383 Hartree
109	Br4 Ryd(4d)	0.001900077	0.491325233 Hartree

Display Range		- / 109
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)P1(Br2) 1s(6.83%)p13.44(91.78%)d0.20(1.39%)	0.804260892	-0.250256651 Hartree
2	BD(1)Br2(P1) 2s(11.06%)p7.99(88.45%)d0.04(0.49%)	1.303498860	-0.379846713 Hartree
3	BD(1)P1(Br3) 1s(6.83%)p13.44(91.78%)d0.20(1.39%)	0.804260892	-0.250256651 Hartree
4	BD(1)Br3(P1) 3s(11.06%)p7.99(88.45%)d0.04(0.49%)	1.303498860	-0.379846713 Hartree
5	BD(1)P1(Br4) 1s(6.83%)p13.44(91.78%)d0.20(1.39%)	0.804260892	-0.250256651 Hartree
6	BD(1)Br4(P1) 4s(11.06%)p7.99(88.45%)d0.04(0.49%)	1.303498860	-0.379846713 Hartree
7	CR(1)P1 s(100.00%)	1.999999572	-77.041151727 Hartree
8	CR(2)P1 s(100.00%)	1.999829163	-6.762029425 Hartree
9	CR(3)P1 s(0.00%)p1.00(100.00%)	1.999969301	-4.835973571 Hartree
10	CR(4)P1 s(0.00%)p1.00(100.00%)	1.999969301	-4.835973571 Hartree
11	CR(5)P1 s(0.00%)p1.00(100.00%)	1.999981693	-4.832547585 Hartree
12	CR(1)Br2 s(100.00%)	2.000000000	-476.740965409 Hartree
13	CR(2)Br2 s(100.00%)	1.999941849	-64.406244169 Hartree
14	CR(3)Br2 s(100.00%)p0.00(0.00%)	1.999888685	-11.924949718 Hartree
15	CR(4)Br2 s(0.00%)p1.00(100.00%)	1.999998167	-55.678906749 Hartree
16	CR(5)Br2 s(0.00%)p1.00(100.00%)	1.999990832	-7.276950635 Hartree
17	CR(6)Br2 s(0.00%)p1.00(100.00%)	1.999992578	-55.681610290 Hartree
18	CR(7)Br2 s(0.00%)p1.00(100.00%)	1.999923350	-7.284755592 Hartree
19	CR(8)Br2 s(0.00%)p1.00(100.00%)	1.999997976	-55.679396132 Hartree
20	CR(9)Br2 s(0.00%)p1.00(100.00%)	1.999974879	-7.278308726 Hartree
21	CR(10)Br2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999984459	-2.670372984 Hartree
22	CR(11)Br2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999994032	-2.664381661 Hartree
23	CR(12)Br2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999966192	-2.671724328 Hartree
24	CR(13)Br2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999964041	-2.670391515 Hartree
25	CR(14)Br2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999989093	-2.667255558 Hartree
26	CR(1)Br3 s(100.00%)	2.000000000	-476.740965409 Hartree
27	CR(2)Br3 s(100.00%)	1.999941849	-64.406244170 Hartree
28	CR(3)Br3 s(100.00%)p0.00(0.00%)	1.999888685	-11.924949717 Hartree
29	CR(4)Br3 s(0.00%)p1.00(100.00%)	1.999993976	-55.680934404 Hartree
30	CR(5)Br3 s(0.00%)p1.00(100.00%)	1.999940221	-7.282804353 Hartree
31	CR(6)Br3 s(0.00%)p1.00(100.00%)	1.999996770	-55.679582634 Hartree
32	CR(7)Br3 s(0.00%)p1.00(100.00%)	1.999973961	-7.278901875 Hartree
33	CR(8)Br3 s(0.00%)p1.00(100.00%)	1.999997976	-55.679396131 Hartree
34	CR(9)Br3 s(0.00%)p1.00(100.00%)	1.999974879	-7.278308727 Hartree
35	CR(10)Br3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999969145	-2.670386882 Hartree
36	CR(11)Br3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999973152	-2.669888661 Hartree
37	CR(12)Br3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999987072	-2.666217328 Hartree
38	CR(13)Br3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999979355	-2.670377617 Hartree
39	CR(14)Br3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999989093	-2.667255558 Hartree
40	CR(1)Br4 s(100.00%)	2.000000000	-476.740965410 Hartree
41	CR(2)Br4 s(100.00%)	1.999941849	-64.406244169 Hartree
42	CR(3)Br4 s(100.00%)p0.00(0.00%)	1.999888685	-11.924949718 Hartree
43	CR(4)Br4 s(0.00%)p1.00(100.00%)	1.999993976	-55.680934404 Hartree
44	CR(5)Br4 s(0.00%)p1.00(100.00%)	1.999940221	-7.282804354 Hartree
45	CR(6)Br4 s(0.00%)p1.00(100.00%)	1.999996770	-55.679582633 Hartree
46	CR(7)Br4 s(0.00%)p1.00(100.00%)	1.999973961	-7.278901875 Hartree
47	CR(8)Br4 s(0.00%)p1.00(100.00%)	1.999997976	-55.679396131 Hartree
48	CR(9)Br4 s(0.00%)p1.00(100.00%)	1.999974879	-7.278308727 Hartree
49	CR(10)Br4 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999969145	-2.670386882 Hartree
50	CR(11)Br4 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999973152	-2.669888661 Hartree
51	CR(12)Br4 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999987072	-2.666217328 Hartree
52	CR(13)Br4 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999979355	-2.670377617 Hartree
53	CR(14)Br4 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999989093	-2.667255558 Hartree
54	LP(1)P1 s(80.46%)p0.24(19.52%)d0.00(0.02%)	1.996705114	-0.566533304 Hartree
55	LP(1)Br2 s(85.72%)p0.17(14.28%)d0.00(0.00%)	1.996777948	-0.977814928 Hartree
56	LP(2)Br2 s(3.18%)p30.37(96.72%)d0.03(0.10%)	1.940587846	-0.338770311 Hartree
57	LP(3)Br2 s(0.00%)p1.00(99.89%)d0.00(0.11%)	1.930834280	-0.314823407 Hartree
58	LP(1)Br3 s(85.72%)p0.17(14.28%)d0.00(0.00%)	1.996777947	-0.977814928 Hartree
59	LP(2)Br3 s(3.18%)p30.37(96.72%)d0.03(0.10%)	1.940587846	-0.338770310 Hartree
60	LP(3)Br3 s(0.00%)p1.00(99.89%)d0.00(0.11%)	1.930834280	-0.314823407 Hartree
61	LP(1)Br4 s(85.72%)p0.17(14.28%)d0.00(0.00%)	1.996777947	-0.977814928 Hartree
62	LP(2)Br4 s(3.18%)p30.37(96.72%)d0.03(0.10%)	1.940587846	-0.338770310 Hartree
63	LP(3)Br4 s(0.00%)p1.00(99.89%)d0.00(0.11%)	1.930834280	-0.314823407 Hartree
64	RY*(1)P1 s(0.00%)p1.00(49.03%)d1.04(50.97%)	0.019037070	0.382145979 Hartree
65	RY*(2)P1 s(0.00%)p1.00(49.03%)d1.04(50.97%)	0.019037070	0.382145979 Hartree
66	RY*(3)P1 s(35.73%)p0.16(5.84%)d1.64(58.44%)	0.009849088	0.455802806 Hartree
67	RY*(4)P1 s(0.00%)p1.00(10.92%)d8.16(89.08%)	0.006215605	0.547630347 Hartree
68	RY*(5)P1 s(0.00%)p1.00(10.92%)d8.16(89.08%)	0.006215605	0.547630347 Hartree
69	RY*(6)P1 s(12.03%)p5.12(61.56%)d2.19(26.40%)	0.001713626	0.414137281 Hartree
70	RY*(7)P1 s(0.00%)p1.00(42.13%)d1.37(57.87%)	0.001534688	0.600558830 Hartree
71	RY*(8)P1 s(0.00%)p1.00(42.13%)d1.37(57.87%)	0.001534688	0.600558830 Hartree
72	RY*(9)P1 s(53.40%)p0.61(32.35%)d0.27(14.25%)	0.000032800	0.516099342 Hartree
73	RY*(10)P1 s(97.89%)p0.01(1.21%)d0.01(0.90%)	0.000000761	3.144122338 Hartree
74	RY*(1)Br2 s(0.27%)p44.48(12.02%)d99.99(87.71%)	0.001709038	0.500872426 Hartree
75	RY*(2)Br2 s(0.00%)p1.00(0.10%)d99.99(99.90%)	0.000868462	0.506041618 Hartree
76	RY*(3)Br2 s(14.50%)p3.11(45.05%)d2.79(40.44%)	0.000776597	0.535029302 Hartree
77	RY*(4)Br2 s(0.00%)p1.00(56.32%)d0.78(43.68%)	0.000211633	0.505354976 Hartree
78	RY*(5)Br2 s(18.32%)p1.92(35.18%)d2.54(46.50%)	0.000195841	0.846433294 Hartree
79	RY*(6)Br2 s(11.10%)p0.79(8.78%)d7.22(80.12%)	0.000093666	0.607731335 Hartree
80	RY*(7)Br2 s(86.43%)p0.06(5.39%)d0.09(8.18%)	0.000009604	4.442039548 Hartree
81	RY*(8)Br2 s(58.06%)p0.67(39.00%)d0.05(2.94%)	0.000011116	1.040469129 Hartree
82	RY*(9)Br2 s(14.09%)p3.75(52.83%)d2.35(33.08%)	0.000013170	2.234017237 Hartree
83	RY*(10)Br2 s(99.92%)p0.00(0.04%)d0.00(0.04%)	0.000000096	34.703384955 Hartree
84	RY*(11)Br2 s(97.33%)p0.02(2.27%)d0.00(0.40%)	0.000000319	41.914347531 Hartree
85	RY*(12)Br2 s(0.00%)p1.00(43.69%)d1.29(56.31%)	0.000002781	0.503718861 Hartree
86	RY*(1)Br3 s(0.27%)p44.48(12.02%)d99.99(87.71%)	0.001709038	0.500872426 Hartree
87	RY*(2)Br3 s(0.00%)p1.00(0.10%)d99.99(99.90%)	0.000868462	0.506041618 Hartree
88	RY*(3)Br3 s(14.50%)p3.11(45.05%)d2.79(40.44%)	0.000776597	0.535029302 Hartree
89	RY*(4)Br3 s(0.00%)p1.00(56.32%)d0.78(43.68%)	0.000211633	0.505354976 Hartree
90	RY*(5)Br3 s(18.32%)p1.92(35.18%)d2.54(46.50%)	0.000195841	0.846433294 Hartree
91	RY*(6)Br3 s(11.10%)p0.79(8.78%)d7.22(80.12%)	0.000093666	0.607731335 Hartree
92	RY*(7)Br3 s(54.79%)p0.72(39.29%)d0.11(5.92%)	0.000010684	0.790618952 Hartree
93	RY*(8)Br3 s(38.71%)p0.62(24.19%)d0.96(37.10%)	0.000017265	0.791202094 Hartree
94	RY*(9)Br3 s(99.22%)p0.01(0.55%)d0.00(0.22%)	0.000000309	45.322280583 Hartree
95	RY*(10)Br3 s(54.23%)p0.66(35.64%)d0.19(10.13%)	0.000004940	2.259561548 Hartree
96	RY*(11)Br3 s(8.93%)p4.88(43.53%)d5.33(47.54%)	0.000003792	0.542135503 Hartree
97	RY*(12)Br3 s(99.95%)p0.00(0.01%)d0.00(0.04%)	0.000000097	35.132178581 Hartree
98	RY*(1)Br4 s(0.27%)p44.48(12.02%)d99.99(87.71%)	0.001709038	0.500872426 Hartree
99	RY*(2)Br4 s(0.00%)p1.00(0.10%)d99.99(99.90%)	0.000868462	0.506041618 Hartree
100	RY*(3)Br4 s(14.50%)p3.11(45.05%)d2.79(40.44%)	0.000776597	0.535029302 Hartree
101	RY*(4)Br4 s(0.00%)p1.00(56.32%)d0.78(43.68%)	0.000211633	0.505354976 Hartree
102	RY*(5)Br4 s(18.32%)p1.92(35.18%)d2.54(46.50%)	0.000195841	0.846433293 Hartree
103	RY*(6)Br4 s(11.10%)p0.79(8.78%)d7.22(80.12%)	0.000093666	0.607731335 Hartree
104	RY*(7)Br4 s(54.79%)p0.72(39.29%)d0.11(5.92%)	0.000010684	0.790618896 Hartree
105	RY*(8)Br4 s(38.71%)p0.62(24.19%)d0.96(37.10%)	0.000017265	0.791202090 Hartree
106	RY*(9)Br4 s(99.22%)p0.01(0.55%)d0.00(0.22%)	0.000000309	45.322278764 Hartree
107	RY*(10)Br4 s(54.23%)p0.66(35.64%)d0.19(10.13%)	0.000004940	2.259561440 Hartree
108	RY*(11)Br4 s(8.93%)p4.88(43.53%)d5.33(47.54%)	0.000003792	0.542135501 Hartree
109	RY*(12)Br4 s(99.95%)p0.00(0.01%)d0.00(0.04%)	0.000000097	35.132180570 Hartree

Display Range		- / 109
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)P1-Br2	362, 363	1.993778767	-0.587201434 Hartree
2	BD(1)P1-Br3	364, 365	1.993778767	-0.587201434 Hartree
3	BD(1)P1-Br4	366, 367	1.993778767	-0.587201434 Hartree
4	CR(1)P1	368	1.999999572	-77.041151727 Hartree
5	CR(2)P1	369	1.999829163	-6.762029425 Hartree
6	CR(3)P1	370	1.999969301	-4.835973571 Hartree
7	CR(4)P1	371	1.999969301	-4.835973571 Hartree
8	CR(5)P1	372	1.999981693	-4.832547585 Hartree
9	CR(1)Br2	373	2.000000000	-476.740965409 Hartree
10	CR(2)Br2	374	1.999941849	-64.406244169 Hartree
11	CR(3)Br2	375	1.999888685	-11.924949718 Hartree
12	CR(4)Br2	376	1.999998167	-55.678906749 Hartree
13	CR(5)Br2	377	1.999990832	-7.276950635 Hartree
14	CR(6)Br2	378	1.999992578	-55.681610290 Hartree
15	CR(7)Br2	379	1.999923350	-7.284755592 Hartree
16	CR(8)Br2	380	1.999997976	-55.679396132 Hartree
17	CR(9)Br2	381	1.999974879	-7.278308726 Hartree
18	CR(10)Br2	382	1.999984458	-2.670372983 Hartree
19	CR(11)Br2	383	1.999994032	-2.664381661 Hartree
20	CR(12)Br2	384	1.999966192	-2.671724328 Hartree
21	CR(13)Br2	385	1.999964041	-2.670391515 Hartree
22	CR(14)Br2	386	1.999989093	-2.667255558 Hartree
23	CR(1)Br3	387	2.000000000	-476.740965409 Hartree
24	CR(2)Br3	388	1.999941848	-64.406244136 Hartree
25	CR(3)Br3	389	1.999888685	-11.924949717 Hartree
26	CR(4)Br3	390	1.999993976	-55.680934404 Hartree
27	CR(5)Br3	391	1.999940221	-7.282804353 Hartree
28	CR(6)Br3	392	1.999996770	-55.679582634 Hartree
29	CR(7)Br3	393	1.999973961	-7.278901875 Hartree
30	CR(8)Br3	394	1.999997976	-55.679396131 Hartree
31	CR(9)Br3	395	1.999974879	-7.278308727 Hartree
32	CR(10)Br3	396	1.999969145	-2.670386882 Hartree
33	CR(11)Br3	397	1.999973152	-2.669888661 Hartree
34	CR(12)Br3	398	1.999987072	-2.666217328 Hartree
35	CR(13)Br3	399	1.999979355	-2.670377617 Hartree
36	CR(14)Br3	400	1.999989093	-2.667255558 Hartree
37	CR(1)Br4	401	2.000000000	-476.740965410 Hartree
38	CR(2)Br4	402	1.999941849	-64.406244169 Hartree
39	CR(3)Br4	403	1.999888685	-11.924949718 Hartree
40	CR(4)Br4	404	1.999993976	-55.680934404 Hartree
41	CR(5)Br4	405	1.999940221	-7.282804354 Hartree
42	CR(6)Br4	406	1.999996770	-55.679582633 Hartree
43	CR(7)Br4	407	1.999973961	-7.278901875 Hartree
44	CR(8)Br4	408	1.999997976	-55.679396131 Hartree
45	CR(9)Br4	409	1.999974879	-7.278308727 Hartree
46	CR(10)Br4	410	1.999969145	-2.670386882 Hartree
47	CR(11)Br4	411	1.999973152	-2.669888661 Hartree
48	CR(12)Br4	412	1.999987072	-2.666217328 Hartree
49	CR(13)Br4	413	1.999979355	-2.670377617 Hartree
50	CR(14)Br4	414	1.999989093	-2.667255558 Hartree
51	LP(1)P1	415	1.996705114	-0.566533304 Hartree
52	LP(1)Br2	416	1.996777948	-0.977814928 Hartree
53	LP(2)Br2	417	1.940587846	-0.338770311 Hartree
54	LP(3)Br2	418	1.930834279	-0.314823407 Hartree
55	LP(1)Br3	419	1.996777946	-0.977814927 Hartree
56	LP(2)Br3	420	1.940587846	-0.338770310 Hartree
57	LP(3)Br3	421	1.930834280	-0.314823407 Hartree
58	LP(1)Br4	422	1.996777947	-0.977814928 Hartree
59	LP(2)Br4	423	1.940587846	-0.338770310 Hartree
60	LP(3)Br4	424	1.930834280	-0.314823407 Hartree
61	RY*(1)P1	425	0.019037070	0.382145979 Hartree
62	RY*(2)P1	426	0.019037070	0.382145979 Hartree
63	RY*(3)P1	427	0.009849088	0.455802806 Hartree
64	RY*(4)P1	428	0.006215605	0.547630347 Hartree
65	RY*(5)P1	429	0.006215605	0.547630347 Hartree
66	RY*(6)P1	430	0.001713626	0.414137281 Hartree
67	RY*(7)P1	431	0.001534688	0.600558830 Hartree
68	RY*(8)P1	432	0.001534688	0.600558830 Hartree
69	RY*(9)P1	433	0.000032800	0.516099342 Hartree
70	RY*(10)P1	434	0.000000761	3.144122338 Hartree
71	RY*(1)Br2	435	0.001709038	0.500872426 Hartree
72	RY*(2)Br2	436	0.000868462	0.506041618 Hartree
73	RY*(3)Br2	437	0.000776597	0.535029302 Hartree
74	RY*(4)Br2	438	0.000211633	0.505354976 Hartree
75	RY*(5)Br2	439	0.000195841	0.846433294 Hartree
76	RY*(6)Br2	440	0.000093666	0.607731335 Hartree
77	RY*(7)Br2	441	0.000009604	4.442039548 Hartree
78	RY*(8)Br2	442	0.000011116	1.040469129 Hartree
79	RY*(9)Br2	443	0.000013170	2.234017237 Hartree
80	RY*(10)Br2	444	0.000000096	34.703384955 Hartree
81	RY*(11)Br2	445	0.000000319	41.914347531 Hartree
82	RY*(12)Br2	446	0.000002781	0.503718861 Hartree
83	RY*(1)Br3	447	0.001709038	0.500872426 Hartree
84	RY*(2)Br3	448	0.000868462	0.506041618 Hartree
85	RY*(3)Br3	449	0.000776597	0.535029302 Hartree
86	RY*(4)Br3	450	0.000211633	0.505354976 Hartree
87	RY*(5)Br3	451	0.000195841	0.846433294 Hartree
88	RY*(6)Br3	452	0.000093666	0.607731335 Hartree
89	RY*(7)Br3	453	0.000010684	0.790618952 Hartree
90	RY*(8)Br3	454	0.000017265	0.791202094 Hartree
91	RY*(9)Br3	455	0.000000309	45.322280583 Hartree
92	RY*(10)Br3	456	0.000004940	2.259561548 Hartree
93	RY*(11)Br3	457	0.000003792	0.542135503 Hartree
94	RY*(12)Br3	458	0.000000097	35.132178581 Hartree
95	RY*(1)Br4	459	0.001709038	0.500872426 Hartree
96	RY*(2)Br4	460	0.000868462	0.506041618 Hartree
97	RY*(3)Br4	461	0.000776597	0.535029302 Hartree
98	RY*(4)Br4	462	0.000211633	0.505354976 Hartree
99	RY*(5)Br4	463	0.000195841	0.846433293 Hartree
100	RY*(6)Br4	464	0.000093666	0.607731335 Hartree
101	RY*(7)Br4	465	0.000010684	0.790618896 Hartree
102	RY*(8)Br4	466	0.000017265	0.791202090 Hartree
103	RY*(9)Br4	467	0.000000309	45.322278764 Hartree
104	RY*(10)Br4	468	0.000004940	2.259561440 Hartree
105	RY*(11)Br4	469	0.000003792	0.542135501 Hartree
106	RY*(12)Br4	470	0.000000097	35.132180570 Hartree
107	BD*(1)P1-Br2		0.113980985	-0.042901930 Hartree
108	BD*(1)P1-Br3		0.113980985	-0.042901930 Hartree
109	BD*(1)P1-Br4		0.113980985	-0.042901930 Hartree

CHINESE FORTUNE COOKIE OF JAN 1 1967 SAY.... ALL THINGS ARE DIFFICULT BEFORE THEY ARE EASY. WE LEARN SO LITTLE AND FORGET SO MUCH. YOU WILL OVERCOME OBSTACLES TO ACHIEVE SUCCESS. AH SO.