WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)
Method	B3LYP
Stoichiometry	BF3
Symmetry	D3H
Basis	6-311+G(2d,p)
RB3LYP Energy	-324.679095344 Hartree
Dipole Moment	0.0000 Debye
Server	class (392854)
CPU time	84.1 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	10.2741295	0.34270807106
b	10.2741295	0.34270807106
c	5.1370647	0.17135403386

Atom	Symbol	Charge
1	B	0.943725
2	F	-0.314575
3	F	-0.314575
4	F	-0.314575

					Show all
Orbital	Symmetry	Occupancy	Spin	Energy ()	Actions
1	E'	2	-	-24.72502
2	E'	2	-	-24.72502
3	A1'	2	-	-24.72501
4	A1'	2	-	-6.92221
5	A1'	2	-	-1.28671
6	E'	2	-	-1.24877
7	E'	2	-	-1.24877
8	A1'	2	-	-0.62335
9	E'	2	-	-0.58686
10	E'	2	-	-0.58686
11	A2"	2	-	-0.54659
12	E'	2	-	-0.48194
13	E'	2	-	-0.48194
14	E"	2	-	-0.47268
15	E"	2	-	-0.47268
16	A2'	2	-	-0.4403
17	A1'	0	-	-0.01749
18	A2"	0	-	0.00504
19	E'	0	-	0.03711
20	E'	0	-	0.03711
21	A2"	0	-	0.0492
22	A1'	0	-	0.14211
23	E'	0	-	0.18803
24	E'	0	-	0.18803
25	E"	0	-	0.22629
26	E"	0	-	0.22629
27	A1'	0	-	0.24024
28	E'	0	-	0.2438
29	E'	0	-	0.2438
30	A2"	0	-	0.27615
31	A1'	0	-	0.3002
32	A2'	0	-	0.30938
33	E'	0	-	0.33779
34	E'	0	-	0.33779
35	A2"	0	-	0.39099
36	E'	0	-	0.45073
37	E'	0	-	0.45073
38	A1'	0	-	0.49511
39	E"	0	-	0.52703
40	E"	0	-	0.52703
41	E'	0	-	0.52714
42	E'	0	-	0.52714
43	A1'	0	-	0.7396
44	E'	0	-	0.82429
45	E'	0	-	0.82429
46	A1'	0	-	1.24989
47	E"	0	-	1.26804
48	E"	0	-	1.26804
49	E'	0	-	1.29719
50	E'	0	-	1.29719
51	A2"	0	-	1.33357
52	A2'	0	-	1.36425
53	E'	0	-	1.38347
54	E'	0	-	1.38347
55	E'	0	-	1.72135
56	E'	0	-	1.72135
57	E"	0	-	1.7282
58	E"	0	-	1.7282
59	A2"	0	-	1.74781
60	A1'	0	-	1.78874
61	E'	0	-	1.85905
62	E'	0	-	1.85905
63	A1"	0	-	1.94117
64	A2'	0	-	2.02462
65	E"	0	-	2.07948
66	E"	0	-	2.07948
67	E'	0	-	2.16086
68	E'	0	-	2.16086
69	A1'	0	-	2.16757
70	A1'	0	-	2.32411
71	A2"	0	-	2.33639
72	E'	0	-	2.41162
73	E'	0	-	2.41162
74	E"	0	-	2.68502
75	E"	0	-	2.68502
76	E'	0	-	2.96789
77	E'	0	-	2.96789
78	A1'	0	-	3.33174
79	E'	0	-	3.46222
80	E'	0	-	3.46222
81	E"	0	-	6.25132
82	E"	0	-	6.25132
83	A2"	0	-	6.25983
84	E'	0	-	6.29444
85	E'	0	-	6.29444
86	A2'	0	-	6.31948
87	A1'	0	-	6.34225
88	E'	0	-	6.65697
89	E'	0	-	6.65697
90	A1"	0	-	8.97912
91	E"	0	-	8.99939
92	E"	0	-	8.99939
93	A2'	0	-	9.05517
94	E'	0	-	9.05675
95	E'	0	-	9.05675
96	A1'	0	-	9.11162
97	A2"	0	-	9.19343
98	E"	0	-	9.24671
99	E"	0	-	9.24671
100	E'	0	-	9.5
101	E'	0	-	9.5
102	A1'	0	-	9.64531
103	E'	0	-	9.66379
104	E'	0	-	9.66379
105	A1'	0	-	14.95013
106	E'	0	-	66.7786
107	E'	0	-	66.7786
108	A1'	0	-	66.78917
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	B	1.41868
2	F	-0.47289
3	F	-0.47289
4	F	-0.47289

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	B1 Cor(1S)	1.999898890	-	-6.864120764
2	B1 Val(2S)	0.373710131	-	0.138681640
3	B1 Ryd(4S)	0.000310029	-	6.596756690
4	B1 Ryd(5S)	0.000004402	-	7.291138242
5	B1 Ryd(3S)	0.000001611	-	0.388537246
6	B1 Val(2p)	0.417440933	-	0.127492040
7	B1 Ryd(5p)	0.011762459	-	1.340876364
8	B1 Ryd(4p)	0.000048479	-	0.861726013
9	B1 Ryd(3p)	0.000036363	-	0.244025341
10	B1 Val(2p)	0.417440933	-	0.127492040
11	B1 Ryd(5p)	0.011762459	-	1.340876364
12	B1 Ryd(4p)	0.000048479	-	0.861726013
13	B1 Ryd(3p)	0.000036363	-	0.244025341
14	B1 Val(2p)	0.333505053	-	-0.047762872
15	B1 Ryd(5p)	0.001056886	-	1.224633586
16	B1 Ryd(4p)	0.000111225	-	0.869829080
17	B1 Ryd(3p)	0.000011474	-	0.186596117
18	B1 Ryd(4d)	0.003935501	-	2.793316041
19	B1 Ryd(3d)	0.000129579	-	1.259323383
20	B1 Ryd(4d)	0.002470884	-	2.112163844
21	B1 Ryd(3d)	0.000122592	-	0.758443036
22	B1 Ryd(4d)	0.002470884	-	2.112163844
23	B1 Ryd(3d)	0.000122592	-	0.758443036
24	B1 Ryd(4d)	0.003935501	-	2.793316041
25	B1 Ryd(3d)	0.000129579	-	1.259323383
26	B1 Ryd(4d)	0.000797574	-	2.420727338
27	B1 Ryd(3d)	0.000019585	-	0.787977049
28	F2 Cor(1S)	1.999888274	-	-24.395671439
29	F2 Val(2S)	1.860724314	-	-1.398999177
30	F2 Ryd(4S)	0.000268303	-	1.812044838
31	F2 Ryd(3S)	0.000108757	-	1.157224367
32	F2 Ryd(5S)	0.000000067	-	66.649122814
33	F2 Val(2p)	1.948045967	-	-0.457188741
34	F2 Ryd(3p)	0.000155344	-	0.371220589
35	F2 Ryd(4p)	0.000021123	-	1.757315429
36	F2 Ryd(5p)	0.000009802	-	5.867975793
37	F2 Val(2p)	1.769692837	-	-0.489541932
38	F2 Ryd(3p)	0.000538871	-	0.412541918
39	F2 Ryd(4p)	0.000176874	-	2.093714590
40	F2 Ryd(5p)	0.000062167	-	5.959222027
41	F2 Val(2p)	1.884122346	-	-0.460499255
42	F2 Ryd(3p)	0.000113253	-	0.337807249
43	F2 Ryd(4p)	0.000058982	-	1.704570293
44	F2 Ryd(5p)	0.000005006	-	5.786466524
45	F2 Ryd(3d)	0.002201840	-	2.352647846
46	F2 Ryd(4d)	0.000004271	-	9.175955520
47	F2 Ryd(3d)	0.000042541	-	1.997872754
48	F2 Ryd(4d)	0.000002407	-	9.009842125
49	F2 Ryd(3d)	0.002359022	-	2.201722490
50	F2 Ryd(4d)	0.000005913	-	9.111950447
51	F2 Ryd(3d)	0.003350088	-	2.642403130
52	F2 Ryd(4d)	0.000007013	-	9.236971007
53	F2 Ryd(3d)	0.000926490	-	2.231865373
54	F2 Ryd(4d)	0.000001315	-	9.095634375
55	F3 Cor(1S)	1.999888274	-	-24.395671439
56	F3 Val(2S)	1.860724314	-	-1.398999177
57	F3 Ryd(4S)	0.000268303	-	1.812044838
58	F3 Ryd(3S)	0.000108757	-	1.157224367
59	F3 Ryd(5S)	0.000000067	-	66.649122814
60	F3 Val(2p)	1.814281120	-	-0.481453634
61	F3 Ryd(3p)	0.000442989	-	0.402211585
62	F3 Ryd(4p)	0.000137936	-	2.009614799
63	F3 Ryd(5p)	0.000049076	-	5.936410469
64	F3 Val(2p)	1.903457685	-	-0.465277039
65	F3 Ryd(3p)	0.000251226	-	0.381550921
66	F3 Ryd(4p)	0.000060061	-	1.841415219
67	F3 Ryd(5p)	0.000022893	-	5.890787352
68	F3 Val(2p)	1.884122346	-	-0.460499255
69	F3 Ryd(3p)	0.000113253	-	0.337807249
70	F3 Ryd(4p)	0.000058982	-	1.704570293
71	F3 Ryd(5p)	0.000005006	-	5.786466524
72	F3 Ryd(3d)	0.003063026	-	2.569964309
73	F3 Ryd(4d)	0.000006327	-	9.221717135
74	F3 Ryd(3d)	0.001779902	-	2.150760056
75	F3 Ryd(4d)	0.000005037	-	9.086423367
76	F3 Ryd(3d)	0.000621662	-	2.048835188
77	F3 Ryd(4d)	0.000003284	-	9.035369206
78	F3 Ryd(3d)	0.002488902	-	2.425086667
79	F3 Ryd(4d)	0.000004956	-	9.191209392
80	F3 Ryd(3d)	0.000926490	-	2.231865373
81	F3 Ryd(4d)	0.000001315	-	9.095634375
82	F4 Cor(1S)	1.999888274	-	-24.395671439
83	F4 Val(2S)	1.860724314	-	-1.398999177
84	F4 Ryd(4S)	0.000268303	-	1.812044837
85	F4 Ryd(3S)	0.000108757	-	1.157224368
86	F4 Ryd(5S)	0.000000067	-	66.649122814
87	F4 Val(2p)	1.814281120	-	-0.481453634
88	F4 Ryd(3p)	0.000442989	-	0.402211585
89	F4 Ryd(4p)	0.000137936	-	2.009614799
90	F4 Ryd(5p)	0.000049076	-	5.936410469
91	F4 Val(2p)	1.903457685	-	-0.465277039
92	F4 Ryd(3p)	0.000251226	-	0.381550921
93	F4 Ryd(4p)	0.000060061	-	1.841415219
94	F4 Ryd(5p)	0.000022893	-	5.890787352
95	F4 Val(2p)	1.884122346	-	-0.460499255
96	F4 Ryd(3p)	0.000113253	-	0.337807249
97	F4 Ryd(4p)	0.000058982	-	1.704570293
98	F4 Ryd(5p)	0.000005006	-	5.786466524
99	F4 Ryd(3d)	0.003063026	-	2.569964309
100	F4 Ryd(4d)	0.000006327	-	9.221717135
101	F4 Ryd(3d)	0.001779902	-	2.150760056
102	F4 Ryd(4d)	0.000005037	-	9.086423367
103	F4 Ryd(3d)	0.000621662	-	2.048835188
104	F4 Ryd(4d)	0.000003284	-	9.035369206
105	F4 Ryd(3d)	0.002488902	-	2.425086667
106	F4 Ryd(4d)	0.000004956	-	9.191209392
107	F4 Ryd(3d)	0.000926490	-	2.231865373
108	F4 Ryd(4d)	0.000001315	-	9.095634375

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	BD(1)B1(F2) 1s(33.26%)p2.00(66.37%)d0.01(0.37%)	0.402899433	-	0.156682780
2	BD(1)F2(B1) 2s(37.37%)p1.67(62.41%)d0.01(0.22%)	1.644126326	-	-0.832912263
3	BD(1)B1(F3) 1s(33.26%)p2.00(66.37%)d0.01(0.37%)	0.402899433	-	0.156682780
4	BD(1)F3(B1) 3s(37.37%)p1.67(62.41%)d0.01(0.22%)	1.644126326	-	-0.832912263
5	BD(1)B1(F4) 1s(33.26%)p2.00(66.37%)d0.01(0.37%)	0.402899433	-	0.156682780
6	BD(1)F4(B1) 4s(37.37%)p1.67(62.41%)d0.01(0.22%)	1.644126326	-	-0.832912263
7	CR(1)B1 s(100.00%)	1.999898886	-	-6.864079704
8	CR(1)F2 s(100.00%)p0.00(0.00%)	1.999887913	-	-24.396582759
9	CR(1)F3 s(100.00%)p0.00(0.00%)	1.999887913	-	-24.396582759
10	CR(1)F4 s(100.00%)p0.00(0.00%)	1.999887913	-	-24.396582759
11	LP*(1)B1 s(0.00%)p1.00(100.00%)	0.334684639	-	-0.051897212
12	LP(1)F2 s(62.60%)p0.60(37.37%)d0.00(0.03%)	1.991073380	-	-1.057308129
13	LP(2)F2 s(0.00%)p1.00(99.89%)d0.00(0.11%)	1.950204560	-	-0.458699935
14	LP(3)F2 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.886560209	-	-0.462182268
15	LP(1)F3 s(62.60%)p0.60(37.37%)d0.00(0.03%)	1.991073380	-	-1.057308129
16	LP(2)F3 s(0.00%)p1.00(99.89%)d0.00(0.11%)	1.950204560	-	-0.458699935
17	LP(3)F3 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.886560209	-	-0.462182268
18	LP(1)F4 s(62.60%)p0.60(37.37%)d0.00(0.03%)	1.991073380	-	-1.057308129
19	LP(2)F4 s(0.00%)p1.00(99.89%)d0.00(0.11%)	1.950204560	-	-0.458699935
20	LP(3)F4 s(0.00%)p1.00(99.88%)d0.00(0.12%)	1.886560209	-	-0.462182268
21	RY*(1)B1 s(0.00%)p1.00(88.72%)d0.13(11.28%)	0.013050766	-	1.491365415
22	RY*(2)B1 s(0.00%)p1.00(88.72%)d0.13(11.28%)	0.013050766	-	1.491365415
23	RY*(3)B1 s(0.00%)p1.00(12.71%)d6.87(87.29%)	0.003203028	-	2.453385941
24	RY*(4)B1 s(0.00%)p1.00(12.71%)d6.87(87.29%)	0.003203028	-	2.453385941
25	RY*(5)B1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.002593476	-	1.936165034
26	RY*(6)B1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.002593476	-	1.936165034
27	RY*(7)B1 s(99.33%)p0.00(0.00%)d0.01(0.67%)	0.000314359	-	6.717775110
28	RY*(8)B1 s(0.00%)p1.00(99.03%)d0.01(0.97%)	0.000004437	-	0.243302481
29	RY*(9)B1 s(100.00%)	0.000004402	-	7.286201965
30	RY*(10)B1 s(0.00%)p1.00(100.00%)	-0.000000000	-	1.224272502
31	RY*(11)B1 s(0.00%)p1.00(100.00%)	0.000000000	-	0.874166093
32	RY*(12)B1 s(0.00%)p1.00(100.00%)	0.000000000	-	0.186754528
33	RY*(13)B1 s(0.00%)p1.00(99.33%)d0.01(0.67%)	0.000001608	-	0.913770862
34	RY*(14)B1 s(0.00%)p1.00(0.65%)d99.99(99.35%)	0.000002446	-	1.372806763
35	RY*(15)B1 s(0.00%)p1.00(99.03%)d0.01(0.97%)	0.000004437	-	0.243297217
36	RY*(16)B1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	-	0.934441846
37	RY*(17)B1 s(100.00%)	0.000001611	-	0.388059669
38	RY*(18)B1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	-	0.934441846
39	RY*(19)B1 s(0.00%)p1.00(99.33%)d0.01(0.67%)	0.000001607	-	0.913836990
40	RY*(20)B1 s(0.00%)p1.00(0.65%)d99.99(99.35%)	0.000002447	-	1.372735373
41	RY*(21)B1 s(0.51%)p0.00(0.00%)d99.99(99.49%)	0.000003530	-	2.342869723
42	RY*(22)B1 s(0.37%)p0.00(0.00%)d99.99(99.63%)	0.000003193	-	0.723088305
43	RY*(1)F2 s(43.58%)p1.16(50.37%)d0.14(6.04%)	0.000420251	-	1.071521464
44	RY*(2)F2 s(51.06%)p0.61(31.28%)d0.35(17.67%)	0.000207612	-	3.374149241
45	RY*(3)F2 s(0.00%)p1.00(58.58%)d0.71(41.42%)	0.000193557	-	1.075359019
46	RY*(4)F2 s(0.00%)p1.00(93.10%)d0.07(6.90%)	0.000104312	-	1.550403640
47	RY*(5)F2 s(0.00%)p1.00(74.69%)d0.34(25.31%)	0.000038909	-	2.214925579
48	RY*(6)F2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000044949	-	2.432437413
49	RY*(7)F2 s(50.27%)p0.99(49.72%)d0.00(0.02%)	0.000006543	-	0.436805449
50	RY*(8)F2 s(33.64%)p1.97(66.34%)d0.00(0.03%)	0.000006649	-	1.654377595
51	RY*(9)F2 s(8.55%)p10.70(91.45%)d0.00(0.00%)	0.000002743	-	5.515861535
52	RY*(10)F2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	-	0.918163774
53	RY*(11)F2 s(100.00%)p0.00(0.00%)d0.00(0.00%)	0.000000014	-	66.614716498
54	RY*(12)F2 s(0.00%)p1.00(100.00%)	0.000000000	-	5.900104540
55	RY*(13)F2 s(0.00%)p1.00(70.15%)d0.43(29.85%)	0.000000001	-	1.688579562
56	RY*(14)F2 s(0.00%)p1.00(3.37%)d28.63(96.63%)	0.000001297	-	8.740839628
57	RY*(15)F2 s(0.00%)p1.00(93.31%)d0.07(6.69%)	0.000000023	-	5.806922581
58	RY*(16)F2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	-	8.575277466
59	RY*(17)F2 s(0.00%)p1.00(1.44%)d68.66(98.56%)	0.000000000	-	2.234630855
60	RY*(18)F2 s(0.00%)p1.00(5.59%)d16.88(94.41%)	0.000000000	-	8.540897207
61	RY*(19)F2 s(10.36%)p0.85(8.79%)d7.81(80.85%)	0.000008768	-	2.240370111
62	RY*(20)F2 s(0.86%)p1.11(0.95%)d99.99(98.19%)	0.000000449	-	8.958286858
63	RY*(21)F2 s(1.66%)p0.74(1.23%)d58.62(97.12%)	0.000004584	-	2.360241457
64	RY*(22)F2 s(0.07%)p1.31(0.09%)d99.99(99.84%)	0.000000138	-	9.067004834
65	RY*(1)F3 s(43.58%)p1.16(50.37%)d0.14(6.04%)	0.000420251	-	1.071521463
66	RY*(2)F3 s(51.06%)p0.61(31.28%)d0.35(17.67%)	0.000207612	-	3.374149241
67	RY*(3)F3 s(0.00%)p1.00(58.58%)d0.71(41.42%)	0.000193557	-	1.075359020
68	RY*(4)F3 s(0.00%)p1.00(93.10%)d0.07(6.90%)	0.000104312	-	1.550403642
69	RY*(5)F3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000044949	-	2.432437413
70	RY*(6)F3 s(0.00%)p1.00(74.69%)d0.34(25.31%)	0.000038909	-	2.214925583
71	RY*(7)F3 s(100.00%)p0.00(0.00%)d0.00(0.00%)	0.000000014	-	66.614736015
72	RY*(8)F3 s(7.80%)p7.27(56.73%)d4.54(35.46%)	0.000001378	-	1.735397805
73	RY*(9)F3 s(2.09%)p43.75(91.45%)d3.09(6.46%)	0.000000143	-	5.836759513
74	RY*(10)F3 s(0.00%)p1.00(100.00%)d0.00(0.00%)	-0.000000000	-	0.918163774
75	RY*(11)F3 s(49.31%)p1.03(50.65%)d0.00(0.04%)	0.000006742	-	0.432088697
76	RY*(12)F3 s(0.00%)p1.00(100.00%)	-0.000000000	-	5.900104540
77	RY*(13)F3 s(6.72%)p3.07(20.62%)d10.80(72.65%)	0.000008728	-	2.022447626
78	RY*(14)F3 s(0.76%)p2.44(1.87%)d99.99(97.37%)	0.000000540	-	8.878882723
79	RY*(15)F3 s(0.00%)p1.00(1.41%)d69.80(98.59%)	0.000000000	-	2.237849982
80	RY*(16)F3 s(0.00%)p1.00(4.22%)d22.71(95.78%)	0.000000000	-	8.547239335
81	RY*(17)F3 s(29.45%)p2.32(68.43%)d0.07(2.13%)	0.000006073	-	1.687796814
82	RY*(18)F3 s(0.00%)p1.00(1.40%)d70.50(98.60%)	0.000000000	-	8.565716209
83	RY*(19)F3 s(7.30%)p12.55(91.62%)d0.15(1.09%)	0.000001816	-	5.656206879
84	RY*(20)F3 s(0.25%)p10.93(2.69%)d99.99(97.06%)	0.000001102	-	8.793336955
85	RY*(21)F3 s(1.64%)p0.76(1.25%)d59.26(97.11%)	0.000004536	-	2.361730012
86	RY*(22)F3 s(0.07%)p1.39(0.09%)d99.99(99.84%)	0.000000137	-	9.064623065
87	RY*(1)F4 s(43.58%)p1.16(50.37%)d0.14(6.04%)	0.000420251	-	1.071521462
88	RY*(2)F4 s(51.06%)p0.61(31.28%)d0.35(17.67%)	0.000207612	-	3.374149241
89	RY*(3)F4 s(0.00%)p1.00(58.58%)d0.71(41.42%)	0.000193557	-	1.075359020
90	RY*(4)F4 s(0.00%)p1.00(93.10%)d0.07(6.90%)	0.000104312	-	1.550403642
91	RY*(5)F4 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000044949	-	2.432437413
92	RY*(6)F4 s(0.00%)p1.00(74.69%)d0.34(25.31%)	0.000038909	-	2.214925583
93	RY*(7)F4 s(100.00%)p0.00(0.00%)d0.00(0.00%)	0.000000014	-	66.614736016
94	RY*(8)F4 s(7.80%)p7.27(56.73%)d4.54(35.46%)	0.000001378	-	1.735397806
95	RY*(9)F4 s(2.09%)p43.75(91.45%)d3.09(6.46%)	0.000000143	-	5.836759512
96	RY*(10)F4 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	-	0.918163774
97	RY*(11)F4 s(49.31%)p1.03(50.65%)d0.00(0.04%)	0.000006742	-	0.432088697
98	RY*(12)F4 s(0.00%)p1.00(100.00%)	-0.000000000	-	5.900104540
99	RY*(13)F4 s(6.72%)p3.07(20.62%)d10.80(72.65%)	0.000008728	-	2.022447627
100	RY*(14)F4 s(0.76%)p2.44(1.87%)d99.99(97.37%)	0.000000540	-	8.878882723
101	RY*(15)F4 s(0.00%)p1.00(1.41%)d69.80(98.59%)	0.000000000	-	2.237849982
102	RY*(16)F4 s(0.00%)p1.00(4.22%)d22.71(95.78%)	-0.000000000	-	8.547239335
103	RY*(17)F4 s(29.45%)p2.32(68.43%)d0.07(2.13%)	0.000006073	-	1.687796814
104	RY*(18)F4 s(0.00%)p1.00(1.40%)d70.50(98.60%)	0.000000000	-	8.565716209
105	RY*(19)F4 s(7.30%)p12.55(91.62%)d0.15(1.09%)	0.000001816	-	5.656206879
106	RY*(20)F4 s(0.25%)p10.93(2.69%)d99.99(97.06%)	0.000001102	-	8.793336955
107	RY*(21)F4 s(1.64%)p0.76(1.25%)d59.26(97.11%)	0.000004536	-	2.361730012
108	RY*(22)F4 s(0.07%)p1.39(0.09%)d99.99(99.84%)	0.000000137	-	9.064623065

					Show all
Orbital	Description	NHOs	Occupancy	Spin	Energy ()	Actions
1	BD(1)B1-F2	193, 194	1.999578362	-	-1.123000290
2	BD(1)B1-F3	195, 196	1.999578362	-	-1.123000290
3	BD(1)B1-F4	197, 198	1.999578362	-	-1.123000290
4	CR(1)B1	199	1.999898886	-	-6.864079704
5	CR(1)F2	200	1.999887912	-	-24.396582746
6	CR(1)F3	201	1.999887912	-	-24.396582746
7	CR(1)F4	202	1.999887913	-	-24.396582759
8	LP*(1)B1	203	0.334684639	-	-0.051897212
9	LP(1)F2	204	1.991073379	-	-1.057308128
10	LP(2)F2	205	1.950204560	-	-0.458699935
11	LP(3)F2	206	1.886560209	-	-0.462182268
12	LP(1)F3	207	1.991073379	-	-1.057308128
13	LP(2)F3	208	1.950204560	-	-0.458699935
14	LP(3)F3	209	1.886560209	-	-0.462182268
15	LP(1)F4	210	1.991073380	-	-1.057308129
16	LP(2)F4	211	1.950204560	-	-0.458699935
17	LP(3)F4	212	1.886560209	-	-0.462182268
18	RY*(1)B1	213	0.013050766	-	1.491365415
19	RY*(2)B1	214	0.013050766	-	1.491365415
20	RY*(3)B1	215	0.003203028	-	2.453385941
21	RY*(4)B1	216	0.003203028	-	2.453385941
22	RY*(5)B1	217	0.002593476	-	1.936165034
23	RY*(6)B1	218	0.002593476	-	1.936165034
24	RY*(7)B1	219	0.000314359	-	6.717775110
25	RY*(8)B1	220	0.000004437	-	0.243302481
26	RY*(9)B1	221	0.000004402	-	7.286201965
27	RY*(10)B1	222	-0.000000000	-	1.224272502
28	RY*(11)B1	223	0.000000000	-	0.874166093
29	RY*(12)B1	224	0.000000000	-	0.186754528
30	RY*(13)B1	225	0.000001608	-	0.913770862
31	RY*(14)B1	226	0.000002446	-	1.372806763
32	RY*(15)B1	227	0.000004437	-	0.243297217
33	RY*(16)B1	228	-0.000000000	-	0.934441846
34	RY*(17)B1	229	0.000001611	-	0.388059669
35	RY*(18)B1	230	-0.000000000	-	0.934441846
36	RY*(19)B1	231	0.000001607	-	0.913836990
37	RY*(20)B1	232	0.000002447	-	1.372735373
38	RY*(21)B1	233	0.000003530	-	2.342869723
39	RY*(22)B1	234	0.000003193	-	0.723088305
40	RY*(1)F2	235	0.000420251	-	1.071521464
41	RY*(2)F2	236	0.000207612	-	3.374149241
42	RY*(3)F2	237	0.000193557	-	1.075359019
43	RY*(4)F2	238	0.000104312	-	1.550403640
44	RY*(5)F2	239	0.000038909	-	2.214925579
45	RY*(6)F2	240	0.000044949	-	2.432437413
46	RY*(7)F2	241	0.000006543	-	0.436805449
47	RY*(8)F2	242	0.000006649	-	1.654377595
48	RY*(9)F2	243	0.000002743	-	5.515861535
49	RY*(10)F2	244	0.000000000	-	0.918163774
50	RY*(11)F2	245	0.000000014	-	66.614716498
51	RY*(12)F2	246	0.000000000	-	5.900104540
52	RY*(13)F2	247	0.000000001	-	1.688579562
53	RY*(14)F2	248	0.000001297	-	8.740839628
54	RY*(15)F2	249	0.000000023	-	5.806922581
55	RY*(16)F2	250	-0.000000000	-	8.575277466
56	RY*(17)F2	251	0.000000000	-	2.234630855
57	RY*(18)F2	252	0.000000000	-	8.540897207
58	RY*(19)F2	253	0.000008768	-	2.240370111
59	RY*(20)F2	254	0.000000449	-	8.958286858
60	RY*(21)F2	255	0.000004584	-	2.360241457
61	RY*(22)F2	256	0.000000138	-	9.067004834
62	RY*(1)F3	257	0.000420251	-	1.071521463
63	RY*(2)F3	258	0.000207612	-	3.374149241
64	RY*(3)F3	259	0.000193557	-	1.075359020
65	RY*(4)F3	260	0.000104312	-	1.550403642
66	RY*(5)F3	261	0.000044949	-	2.432437413
67	RY*(6)F3	262	0.000038909	-	2.214925583
68	RY*(7)F3	263	0.000000014	-	66.614736015
69	RY*(8)F3	264	0.000001378	-	1.735397805
70	RY*(9)F3	265	0.000000143	-	5.836759513
71	RY*(10)F3	266	-0.000000000	-	0.918163774
72	RY*(11)F3	267	0.000006742	-	0.432088697
73	RY*(12)F3	268	-0.000000000	-	5.900104540
74	RY*(13)F3	269	0.000008728	-	2.022447626
75	RY*(14)F3	270	0.000000540	-	8.878882723
76	RY*(15)F3	271	0.000000000	-	2.237849982
77	RY*(16)F3	272	0.000000000	-	8.547239335
78	RY*(17)F3	273	0.000006073	-	1.687796814
79	RY*(18)F3	274	0.000000000	-	8.565716209
80	RY*(19)F3	275	0.000001816	-	5.656206879
81	RY*(20)F3	276	0.000001102	-	8.793336955
82	RY*(21)F3	277	0.000004536	-	2.361730012
83	RY*(22)F3	278	0.000000137	-	9.064623065
84	RY*(1)F4	279	0.000420251	-	1.071521462
85	RY*(2)F4	280	0.000207612	-	3.374149241
86	RY*(3)F4	281	0.000193557	-	1.075359020
87	RY*(4)F4	282	0.000104312	-	1.550403642
88	RY*(5)F4	283	0.000044949	-	2.432437413
89	RY*(6)F4	284	0.000038909	-	2.214925583
90	RY*(7)F4	285	0.000000014	-	66.614736016
91	RY*(8)F4	286	0.000001378	-	1.735397806
92	RY*(9)F4	287	0.000000143	-	5.836759512
93	RY*(10)F4	288	0.000000000	-	0.918163774
94	RY*(11)F4	289	0.000006742	-	0.432088697
95	RY*(12)F4	290	-0.000000000	-	5.900104540
96	RY*(13)F4	291	0.000008728	-	2.022447627
97	RY*(14)F4	292	0.000000540	-	8.878882723
98	RY*(15)F4	293	0.000000000	-	2.237849982
99	RY*(16)F4	294	-0.000000000	-	8.547239335
100	RY*(17)F4	295	0.000006073	-	1.687796814
101	RY*(18)F4	296	0.000000000	-	8.565716209
102	RY*(19)F4	297	0.000001816	-	5.656206879
103	RY*(20)F4	298	0.000001102	-	8.793336955
104	RY*(21)F4	299	0.000004536	-	2.361730012
105	RY*(22)F4	300	0.000000137	-	9.064623065
106	BD*(1)B1-F2		0.047447397	-	0.446770806
107	BD*(1)B1-F3		0.047447397	-	0.446770806
108	BD*(1)B1-F4		0.047447397	-	0.446770806

WE MIGHT AS WELL ATTEMPT TO INTRODUCE A NEW PLANET INTO THE SOLAR SYSTEM, OR TO ANNIHILATE ONE ALREADYIN EXISTENCE, AS TO CREATE OR DESTROY A PARTICLE OF HYDROGEN. ALL THE CHANGES WE CAN PRODUCE CONSIST IN SEPARATING PARTICLES THAT ARE IN A STATE OF ... COMBINATION, AND JOINING THOSE THAT WERE PREVIOUSLY AT A DISTANCE. -- JOHN DALTON, 1810