WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)
Method	B3LYP
Stoichiometry	BrCl
Symmetry	C*V
Basis	6-311+G(2d,p)
RB3LYP Energy	-3034.34792009 Hartree
Dipole Moment	0.4981 Debye
Server	class (387443)
CPU time	72.5 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.0000000	0.00000000000
b	4.3632658	0.14554288087
c	4.3632658	0.14554288087

Atom	Symbol	Charge
1	Br	0.026997
2	Cl	-0.026997

					Show all
Orbital	Symmetry	Occupancy	Spin	Energy ()	Actions
1	-	2	α	-482.87225
2	-	2	α	-101.60002
3	-	2	α	-62.52552
4	-	2	α	-56.34706
5	-	2	α	-56.34066
6	-	2	α	-56.34066
7	-	2	α	-9.51067
8	-	2	α	-8.74377
9	-	2	α	-7.27833
10	-	2	α	-7.26418
11	-	2	α	-7.26418
12	-	2	α	-6.57987
13	-	2	α	-6.55941
14	-	2	α	-6.55941
15	-	2	α	-2.68879
16	-	2	α	-2.68317
17	-	2	α	-2.68317
18	-	2	α	-2.66701
19	-	2	α	-2.66701
20	-	2	α	-0.89429
21	-	2	α	-0.76013
22	-	2	α	-0.45362
23	-	2	α	-0.38768
24	-	2	α	-0.38768
25	-	2	α	-0.3024
26	-	2	α	-0.3024
27	-	0	α	-0.1512
28	-	0	α	0.00342
29	-	0	α	0.03859
30	-	0	α	0.04819
31	-	0	α	0.04819
32	-	0	α	0.06706
33	-	0	α	0.0916
34	-	0	α	0.0916
35	-	0	α	0.1525
36	-	0	α	0.24213
37	-	0	α	0.24213
38	-	0	α	0.28007
39	-	0	α	0.28007
40	-	0	α	0.31065
41	-	0	α	0.3754
42	-	0	α	0.38993
43	-	0	α	0.38993
44	-	0	α	0.44885
45	-	0	α	0.44885
46	-	0	α	0.45058
47	-	0	α	0.45058
48	-	0	α	0.45581
49	-	0	α	0.58324
50	-	0	α	0.59503
51	-	0	α	0.59503
52	-	0	α	0.72731
53	-	0	α	1.09285
54	-	0	α	1.765
55	-	0	α	1.76503
56	-	0	α	1.79939
57	-	0	α	1.79939
58	-	0	α	1.83092
59	-	0	α	1.93333
60	-	0	α	1.93333
61	-	0	α	1.9973
62	-	0	α	2.22421
63	-	0	α	2.22421
64	-	0	α	2.31403
65	-	0	α	2.31687
66	-	0	α	2.31687
67	-	0	α	2.38509
68	-	0	α	2.38509
69	-	0	α	2.62528
70	-	0	α	6.13573
71	-	0	α	6.13573
72	-	0	α	6.1522
73	-	0	α	6.1522
74	-	0	α	6.21757
75	-	0	α	6.46066
76	-	0	α	7.49341
77	-	0	α	7.49341
78	-	0	α	7.57079
79	-	0	α	9.65172
80	-	0	α	25.76312
81	-	0	α	25.76312
82	-	0	α	26.11619
83	-	0	α	47.76001
84	-	0	α	215.63112
85	-	0	α	289.69344
86	-	0	α	289.69344
87	-	0	α	289.80953102
88	-	0	α	999.9
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	Br	0.10617
2	Cl	-0.10617

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	Br1 Cor(1S)	2.000000000	-	-481.850180540
2	Br1 Cor(2S)	1.999999943	-	-60.863541989
3	Br1 Cor(3S)	1.999930788	-	-11.263592493
4	Br1 Val(4S)	1.950793505	-	-0.933791109
5	Br1 Ryd(6S)	0.001344184	-	0.592921063
6	Br1 Ryd(5S)	0.000044486	-	0.354956782
7	Br1 Ryd(7S)	0.000000657	-	6.426873617
8	Br1 Ryd(8S)	0.000000004	-	131.420966883
9	Br1 Ryd(9S)	0.000000000	-	936.653941175
10	Br1 Cor(2p)	1.999999990	-	-56.339846277
11	Br1 Cor(3p)	1.999998193	-	-6.558939626
12	Br1 Val(4p)	1.994950438	-	-0.333879911
13	Br1 Ryd(6p)	0.000971329	-	0.360635156
14	Br1 Ryd(5p)	0.000257082	-	0.260289794
15	Br1 Ryd(7p)	0.000000283	-	3.962133641
16	Br1 Ryd(8p)	0.000000364	-	6.871787585
17	Br1 Ryd(9p)	0.000000000	-	288.152318121
18	Br1 Cor(2p)	1.999999990	-	-56.339846277
19	Br1 Cor(3p)	1.999998193	-	-6.558939626
20	Br1 Val(4p)	1.994950438	-	-0.333879911
21	Br1 Ryd(6p)	0.000971329	-	0.360635156
22	Br1 Ryd(5p)	0.000257082	-	0.260289794
23	Br1 Ryd(7p)	0.000000283	-	3.962133641
24	Br1 Ryd(8p)	0.000000364	-	6.871787585
25	Br1 Ryd(9p)	0.000000000	-	288.152318121
26	Br1 Cor(2p)	1.999999889	-	-56.346202897
27	Br1 Cor(3p)	1.999986216	-	-6.578345203
28	Br1 Val(4p)	0.927656188	-	-0.311736003
29	Br1 Ryd(6p)	0.005588987	-	0.453587097
30	Br1 Ryd(5p)	0.000068245	-	0.229925694
31	Br1 Ryd(7p)	0.000012486	-	4.249620512
32	Br1 Ryd(8p)	0.000001257	-	6.807213106
33	Br1 Ryd(9p)	0.000000008	-	288.127322221
34	Br1 Cor(3d)	1.999996818	-	-2.667007220
35	Br1 Ryd(4d)	0.000002185	-	0.364997330
36	Br1 Ryd(5d)	0.000000029	-	1.830621753
37	Br1 Ryd(6d)	0.000000377	-	5.998840868
38	Br1 Cor(3d)	1.999991496	-	-2.683157469
39	Br1 Ryd(4d)	0.003907124	-	0.392519837
40	Br1 Ryd(5d)	0.000016874	-	1.911389953
41	Br1 Ryd(6d)	0.000000615	-	5.984417111
42	Br1 Cor(3d)	1.999991496	-	-2.683157469
43	Br1 Ryd(4d)	0.003907124	-	0.392519837
44	Br1 Ryd(5d)	0.000016874	-	1.911389953
45	Br1 Ryd(6d)	0.000000615	-	5.984417111
46	Br1 Cor(3d)	1.999996818	-	-2.667007393
47	Br1 Ryd(4d)	0.000002184	-	0.364996987
48	Br1 Ryd(5d)	0.000000029	-	1.830583028
49	Br1 Ryd(6d)	0.000000378	-	5.998849245
50	Br1 Cor(3d)	1.999906366	-	-2.688544285
51	Br1 Ryd(4d)	0.008262386	-	0.683683121
52	Br1 Ryd(5d)	0.000045981	-	2.021689494
53	Br1 Ryd(6d)	0.000001350	-	6.009605332
54	Cl2 Cor(1S)	1.999999951	-	-100.571765931
55	Cl2 Cor(2S)	1.999933339	-	-10.396620821
56	Cl2 Val(3S)	1.946848404	-	-0.947518584
57	Cl2 Ryd(4S)	0.002516382	-	0.187810965
58	Cl2 Ryd(5S)	0.000001297	-	2.361634234
59	Cl2 Ryd(6S)	0.000000195	-	12.337088896
60	Cl2 Ryd(7S)	0.000000000	-	211.342299066
61	Cl2 Cor(2p)	1.999998514	-	-7.263300024
62	Cl2 Val(3p)	1.994257345	-	-0.354569442
63	Cl2 Ryd(4p)	0.001059947	-	0.347256274
64	Cl2 Ryd(5p)	0.000056332	-	0.375767303
65	Cl2 Ryd(6p)	0.000001520	-	5.141223431
66	Cl2 Ryd(7p)	0.000000075	-	22.665108301
67	Cl2 Cor(2p)	1.999998514	-	-7.263300024
68	Cl2 Val(3p)	1.994257345	-	-0.354569442
69	Cl2 Ryd(4p)	0.001059947	-	0.347256274
70	Cl2 Ryd(5p)	0.000056332	-	0.375767303
71	Cl2 Ryd(6p)	0.000001520	-	5.141223431
72	Cl2 Ryd(7p)	0.000000075	-	22.665108301
73	Cl2 Cor(2p)	1.999992260	-	-7.276909584
74	Cl2 Val(3p)	1.141450129	-	-0.346222577
75	Cl2 Ryd(5p)	0.003426962	-	0.443808279
76	Cl2 Ryd(4p)	0.000077023	-	0.414844244
77	Cl2 Ryd(6p)	0.000018441	-	5.382390281
78	Cl2 Ryd(7p)	0.000001205	-	22.648233438
79	Cl2 Ryd(3d)	0.000000500	-	0.439370658
80	Cl2 Ryd(4d)	0.000000091	-	2.312723778
81	Cl2 Ryd(3d)	0.004472649	-	0.483463474
82	Cl2 Ryd(4d)	0.000059830	-	2.349505639
83	Cl2 Ryd(3d)	0.004472649	-	0.483463474
84	Cl2 Ryd(4d)	0.000059830	-	2.349505639
85	Cl2 Ryd(3d)	0.000000500	-	0.439370626
86	Cl2 Ryd(4d)	0.000000091	-	2.312724307
87	Cl2 Ryd(3d)	0.012063676	-	0.680796896
88	Cl2 Ryd(4d)	0.000027811	-	2.453807364

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	BD(1)Br1(Cl2) 1s(4.45%)p21.28(94.63%)d0.21(0.92%)	0.893774799	α	-0.318004854
2	BD(1)Cl2(Br1) 2s(5.93%)p15.69(93.00%)d0.18(1.07%)	1.106294761	α	-0.369739772
3	CR(1)Br1 s(100.00%)	2.000000000	α	-481.850180545
4	CR(2)Br1 s(100.00%)	1.999999943	α	-60.863542247
5	CR(3)Br1 s(100.00%)	1.999930787	α	-11.263562961
6	CR(4)Br1 s(0.00%)p1.00(100.00%)	1.999999990	α	-56.339846237
7	CR(5)Br1 s(0.00%)p1.00(100.00%)	1.999998191	α	-6.558936939
8	CR(6)Br1 s(0.00%)p1.00(100.00%)	1.999999990	α	-56.339846237
9	CR(7)Br1 s(0.00%)p1.00(100.00%)	1.999998191	α	-6.558936939
10	CR(8)Br1 s(0.00%)p1.00(100.00%)	1.999999889	α	-56.346202883
11	CR(9)Br1 s(0.00%)p1.00(100.00%)	1.999986216	α	-6.578345329
12	CR(10)Br1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999996818	α	-2.667007220
13	CR(11)Br1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999991495	α	-2.683157440
14	CR(12)Br1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999991495	α	-2.683157440
15	CR(13)Br1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999996818	α	-2.667007393
16	CR(14)Br1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999906366	α	-2.688544296
17	CR(1)Cl2 s(100.00%)	1.999999951	α	-100.571766504
18	CR(2)Cl2 s(100.00%)	1.999933339	α	-10.396617725
19	CR(3)Cl2 s(0.00%)p1.00(100.00%)	1.999998512	α	-7.263298240
20	CR(4)Cl2 s(0.00%)p1.00(100.00%)	1.999998512	α	-7.263298240
21	CR(5)Cl2 s(0.00%)p1.00(100.00%)	1.999992260	α	-7.276909491
22	LP(1)Br1 s(95.63%)p0.05(4.37%)d0.00(0.00%)	1.999832938	α	-0.913975933
23	LP(2)Br1 s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.996057953	α	-0.334103742
24	LP(3)Br1 s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.996057953	α	-0.334103742
25	LP(1)Cl2 s(94.19%)p0.06(5.80%)d0.00(0.00%)	1.999867517	α	-0.917188219
26	LP(2)Cl2 s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.995956369	α	-0.355078022
27	LP(3)Cl2 s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.995956369	α	-0.355078022
28	RY*(1)Br1 s(0.00%)p1.00(15.35%)d5.51(84.65%)	0.004044503	α	0.402869827
29	RY*(2)Br1 s(0.00%)p1.00(15.35%)d5.51(84.65%)	0.004044503	α	0.402869827
30	RY*(3)Br1 s(61.61%)p0.31(19.32%)d0.31(19.07%)	0.000138154	α	0.713866366
31	RY*(4)Br1 s(7.95%)p6.66(53.00%)d4.91(39.05%)	0.000048293	α	0.559663735
32	RY*(5)Br1 s(5.08%)p6.70(34.02%)d11.99(60.90%)	0.000019185	α	0.785537941
33	RY*(6)Br1 s(0.00%)p1.00(84.67%)d0.18(15.33%)	0.000000394	α	0.526686439
34	RY*(7)Br1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000405	α	0.091587648
35	RY*(8)Br1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000222	α	3.963999199
36	RY*(9)Br1 s(0.00%)p1.00(100.00%)	0.000000363	α	6.871824528
37	RY*(10)Br1 s(0.00%)p1.00(100.00%)	0.000000000	α	288.152475951
38	RY*(11)Br1 s(0.00%)p1.00(84.67%)d0.18(15.33%)	0.000000394	α	0.526686439
39	RY*(12)Br1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000405	α	0.091587648
40	RY*(13)Br1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000222	α	3.963997513
41	RY*(14)Br1 s(0.00%)p1.00(100.00%)	0.000000363	α	6.871824528
42	RY*(15)Br1 s(0.00%)p1.00(100.00%)	0.000000000	α	288.152475951
43	RY*(16)Br1 s(80.52%)p0.03(2.05%)d0.22(17.43%)	0.000001734	α	0.873045649
44	RY*(17)Br1 s(3.93%)p24.13(94.74%)d0.34(1.33%)	0.000001436	α	0.168711566
45	RY*(18)Br1 s(3.11%)p30.94(96.16%)d0.24(0.74%)	0.000001453	α	4.201772020
46	RY*(19)Br1 s(0.24%)p99.99(99.59%)d0.69(0.17%)	0.000000753	α	6.727369369
47	RY*(20)Br1 s(0.00%)p1.00(99.99%)d0.00(0.00%)	0.000000001	α	288.049933372
48	RY*(21)Br1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000002185	α	0.364997330
49	RY*(22)Br1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000029	α	1.830621753
50	RY*(23)Br1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000377	α	5.998840868
51	RY*(24)Br1 s(98.83%)p0.01(0.50%)d0.01(0.67%)	0.000000393	α	6.319707014
52	RY*(25)Br1 s(0.00%)p0.00(0.01%)d1.00(99.99%)	0.000000040	α	1.902132611
53	RY*(26)Br1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000233	α	5.984136071
54	RY*(27)Br1 s(99.99%)p0.00(0.01%)d0.00(0.01%)	0.000000001	α	131.432151273
55	RY*(28)Br1 s(0.00%)p0.00(0.01%)d1.00(99.99%)	0.000000040	α	1.902134297
56	RY*(29)Br1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000233	α	5.984136070
57	RY*(30)Br1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000002184	α	0.364996987
58	RY*(31)Br1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000029	α	1.830583028
59	RY*(32)Br1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000378	α	5.998849245
60	RY*(33)Br1 s(100.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	936.653734919
61	RY*(34)Br1 s(38.59%)p0.04(1.42%)d1.55(59.99%)	0.000000071	α	1.562451550
62	RY*(35)Br1 s(0.08%)p2.55(0.19%)d99.99(99.73%)	0.000000512	α	5.970785850
63	RY*(1)Cl2 s(0.00%)p1.00(16.54%)d5.05(83.46%)	0.003943346	α	0.440802066
64	RY*(2)Cl2 s(0.00%)p1.00(16.54%)d5.05(83.46%)	0.003943346	α	0.440802066
65	RY*(3)Cl2 s(7.27%)p1.29(9.37%)d11.46(83.36%)	0.000207395	α	0.640445722
66	RY*(4)Cl2 s(29.93%)p1.84(55.19%)d0.50(14.88%)	0.000046245	α	0.462366109
67	RY*(5)Cl2 s(0.00%)p1.00(83.39%)d0.20(16.61%)	0.000006688	α	0.486321452
68	RY*(6)Cl2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000176	α	0.287994455
69	RY*(7)Cl2 s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.000000167	α	5.132526025
70	RY*(8)Cl2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000020	α	22.668663970
71	RY*(9)Cl2 s(0.00%)p1.00(83.39%)d0.20(16.61%)	0.000006688	α	0.486321452
72	RY*(10)Cl2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000176	α	0.287994467
73	RY*(11)Cl2 s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.000000168	α	5.132510019
74	RY*(12)Cl2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000020	α	22.668663806
75	RY*(13)Cl2 s(7.72%)p5.59(43.14%)d6.37(49.15%)	0.000008015	α	1.450709614
76	RY*(14)Cl2 s(12.21%)p6.80(83.04%)d0.39(4.75%)	0.000003796	α	0.380369702
77	RY*(15)Cl2 s(0.29%)p99.99(99.63%)d0.28(0.08%)	0.000001791	α	5.304157474
78	RY*(16)Cl2 s(0.09%)p99.99(99.88%)d0.32(0.03%)	0.000000100	α	22.729704938
79	RY*(17)Cl2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000500	α	0.439370658
80	RY*(18)Cl2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000091	α	2.312723778
81	RY*(19)Cl2 s(99.73%)p0.00(0.09%)d0.00(0.18%)	0.000001006	α	2.371663157
82	RY*(20)Cl2 s(0.00%)p1.00(0.16%)d99.99(99.84%)	0.000000933	α	2.346523250
83	RY*(21)Cl2 s(99.94%)p0.00(0.04%)d0.00(0.02%)	0.000000120	α	12.340633208
84	RY*(22)Cl2 s(0.00%)p1.00(0.16%)d99.99(99.84%)	0.000000932	α	2.346539406
85	RY*(23)Cl2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000500	α	0.439370626
86	RY*(24)Cl2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000091	α	2.312724307
87	RY*(25)Cl2 s(100.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	α	211.341153434
88	RY*(26)Cl2 s(42.69%)p0.25(10.81%)d1.09(46.49%)	0.000000778	α	1.224694519

					Show all
Orbital	Description	NHOs	Occupancy	Spin	Energy ()	Actions
1	BD(1)Br1-Cl2	196, 197	2.000000000	α	-0.586308749
2	CR(1)Br1	198	2.000000000	α	-481.850180545
3	CR(2)Br1	199	1.999999943	α	-60.863542247
4	CR(3)Br1	200	1.999930787	α	-11.263562961
5	CR(4)Br1	201	1.999999990	α	-56.339846237
6	CR(5)Br1	202	1.999998190	α	-6.558936935
7	CR(6)Br1	203	1.999999990	α	-56.339846237
8	CR(7)Br1	204	1.999998191	α	-6.558936939
9	CR(8)Br1	205	1.999999889	α	-56.346202883
10	CR(9)Br1	206	1.999986216	α	-6.578345329
11	CR(10)Br1	207	1.999996818	α	-2.667007220
12	CR(11)Br1	208	1.999991495	α	-2.683157440
13	CR(12)Br1	209	1.999991495	α	-2.683157440
14	CR(13)Br1	210	1.999996818	α	-2.667007393
15	CR(14)Br1	211	1.999906366	α	-2.688544296
16	CR(1)Cl2	212	1.999999951	α	-100.571766504
17	CR(2)Cl2	213	1.999933339	α	-10.396617725
18	CR(3)Cl2	214	1.999998511	α	-7.263298236
19	CR(4)Cl2	215	1.999998511	α	-7.263298236
20	CR(5)Cl2	216	1.999992260	α	-7.276909491
21	LP(1)Br1	217	1.999832938	α	-0.913975933
22	LP(2)Br1	218	1.996057952	α	-0.334103742
23	LP(3)Br1	219	1.996057953	α	-0.334103742
24	LP(1)Cl2	220	1.999867517	α	-0.917188219
25	LP(2)Cl2	221	1.995956368	α	-0.355078022
26	LP(3)Cl2	222	1.995956368	α	-0.355078022
27	RY*(1)Br1	223	0.004044503	α	0.402869827
28	RY*(2)Br1	224	0.004044503	α	0.402869827
29	RY*(3)Br1	225	0.000138154	α	0.713866366
30	RY*(4)Br1	226	0.000048293	α	0.559663735
31	RY*(5)Br1	227	0.000019185	α	0.785537941
32	RY*(6)Br1	228	0.000000394	α	0.526686439
33	RY*(7)Br1	229	0.000000405	α	0.091587648
34	RY*(8)Br1	230	0.000000222	α	3.963999199
35	RY*(9)Br1	231	0.000000363	α	6.871824528
36	RY*(10)Br1	232	0.000000000	α	288.152475951
37	RY*(11)Br1	233	0.000000394	α	0.526686439
38	RY*(12)Br1	234	0.000000405	α	0.091587648
39	RY*(13)Br1	235	0.000000222	α	3.963997513
40	RY*(14)Br1	236	0.000000363	α	6.871824528
41	RY*(15)Br1	237	0.000000000	α	288.152475951
42	RY*(16)Br1	238	0.000001734	α	0.873045649
43	RY*(17)Br1	239	0.000001436	α	0.168711566
44	RY*(18)Br1	240	0.000001453	α	4.201772020
45	RY*(19)Br1	241	0.000000753	α	6.727369369
46	RY*(20)Br1	242	0.000000001	α	288.049933372
47	RY*(21)Br1	243	0.000002185	α	0.364997330
48	RY*(22)Br1	244	0.000000029	α	1.830621753
49	RY*(23)Br1	245	0.000000377	α	5.998840868
50	RY*(24)Br1	246	0.000000393	α	6.319707014
51	RY*(25)Br1	247	0.000000040	α	1.902132611
52	RY*(26)Br1	248	0.000000233	α	5.984136071
53	RY*(27)Br1	249	0.000000001	α	131.432151273
54	RY*(28)Br1	250	0.000000040	α	1.902134297
55	RY*(29)Br1	251	0.000000233	α	5.984136070
56	RY*(30)Br1	252	0.000002184	α	0.364996987
57	RY*(31)Br1	253	0.000000029	α	1.830583028
58	RY*(32)Br1	254	0.000000378	α	5.998849245
59	RY*(33)Br1	255	0.000000000	α	936.653734919
60	RY*(34)Br1	256	0.000000071	α	1.562451550
61	RY*(35)Br1	257	0.000000512	α	5.970785850
62	RY*(1)Cl2	258	0.003943346	α	0.440802066
63	RY*(2)Cl2	259	0.003943346	α	0.440802066
64	RY*(3)Cl2	260	0.000207395	α	0.640445722
65	RY*(4)Cl2	261	0.000046245	α	0.462366109
66	RY*(5)Cl2	262	0.000006688	α	0.486321452
67	RY*(6)Cl2	263	0.000000176	α	0.287994455
68	RY*(7)Cl2	264	0.000000167	α	5.132526025
69	RY*(8)Cl2	265	0.000000020	α	22.668663970
70	RY*(9)Cl2	266	0.000006688	α	0.486321452
71	RY*(10)Cl2	267	0.000000176	α	0.287994467
72	RY*(11)Cl2	268	0.000000168	α	5.132510019
73	RY*(12)Cl2	269	0.000000020	α	22.668663806
74	RY*(13)Cl2	270	0.000008015	α	1.450709614
75	RY*(14)Cl2	271	0.000003796	α	0.380369702
76	RY*(15)Cl2	272	0.000001791	α	5.304157474
77	RY*(16)Cl2	273	0.000000100	α	22.729704938
78	RY*(17)Cl2	274	0.000000500	α	0.439370658
79	RY*(18)Cl2	275	0.000000091	α	2.312723778
80	RY*(19)Cl2	276	0.000001006	α	2.371663157
81	RY*(20)Cl2	277	0.000000933	α	2.346523250
82	RY*(21)Cl2	278	0.000000120	α	12.340633208
83	RY*(22)Cl2	279	0.000000932	α	2.346539406
84	RY*(23)Cl2	280	0.000000500	α	0.439370626
85	RY*(24)Cl2	281	0.000000091	α	2.312724307
86	RY*(25)Cl2	282	0.000000000	α	211.341153434
87	RY*(26)Cl2	283	0.000000778	α	1.224694519
88	BD*(1)Br1-Cl2		0.000069560	α	-0.101435878

WERE I TO AWAIT PERFECTION, MY BOOK WOULD NEVER BE FINISHED. -- HISTORY OF CHINESE WRITING TAI T'UNG, 13TH CENTURY