WebMO Job Summary

316700: C11H16OBr(-1) SN2 TS (H2O) 1-bromopropane and 2,6-dimethylphenox, Natural Bond Orbitals - Gaussian

Raw Output

Save Notes

Calculated Quantities

Expand all

Overview

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) SCRF=(PCM,Solvent=Water)
Method	B3LYP
Stoichiometry	C11H16BrO(1-)
Symmetry	C1
Basis	6-311+G(2d,p)
RB3LYP Energy	-3078.45902075 Hartree
Dipole Moment	2.9025 Debye
Server	class (318109)
CPU time	1692.2 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.7965293	0.02656935753
b	0.2536401	0.00846052305
c	0.2412386	0.00804685353

Partial Charges

Atom	Symbol	Charge
1	C	-0.434511
2	C	0.814949
3	C	-0.634941
4	C	-0.146025
5	C	-0.582564
6	C	0.816725
7	C	-0.293103
8	O	-0.747724
9	C	-0.428008
10	H	0.113606
11	H	0.121142
12	H	0.114363
13	H	0.081382
14	H	0.082881
15	H	0.081473
16	H	0.121774
17	H	0.114373
18	H	0.113511
19	C	-0.164152
20	C	-0.026123
21	C	-0.475295
22	H	0.121207
23	H	0.127516
24	H	0.122123
25	H	0.143517
26	H	0.117894
27	H	0.173918
28	H	0.178877
29	Br	-0.628784

Molecular Orbitals

					Show all
Orbital	Symmetry	Occupancy	Spin	Energy ()	Actions
1	-	2	-	-482.75307
2	-	2	-	-62.40776
3	-	2	-	-56.226
4	-	2	-	-56.2244
5	-	2	-	-56.22438
6	-	2	-	-19.05201
7	-	2	-	-10.23218
8	-	2	-	-10.19283
9	-	2	-	-10.17214
10	-	2	-	-10.15636
11	-	2	-	-10.15305
12	-	2	-	-10.15301
13	-	2	-	-10.15246
14	-	2	-	-10.15243
15	-	2	-	-10.15195
16	-	2	-	-10.15194
17	-	2	-	-10.14727
18	-	2	-	-8.62611
19	-	2	-	-6.45223
20	-	2	-	-6.44716
21	-	2	-	-6.44709
22	-	2	-	-2.56329
23	-	2	-	-2.56192
24	-	2	-	-2.56187
25	-	2	-	-2.55784
26	-	2	-	-2.55783
27	-	2	-	-0.95841
28	-	2	-	-0.82786
29	-	2	-	-0.79602
30	-	2	-	-0.76606
31	-	2	-	-0.72803
32	-	2	-	-0.711
33	-	2	-	-0.67644
34	-	2	-	-0.66535
35	-	2	-	-0.65995
36	-	2	-	-0.59006
37	-	2	-	-0.56111
38	-	2	-	-0.55726
39	-	2	-	-0.47659
40	-	2	-	-0.4713
41	-	2	-	-0.46014
42	-	2	-	-0.45279
43	-	2	-	-0.42819
44	-	2	-	-0.41921
45	-	2	-	-0.41455
46	-	2	-	-0.39969
47	-	2	-	-0.39132
48	-	2	-	-0.38959
49	-	2	-	-0.38861
50	-	2	-	-0.36422
51	-	2	-	-0.36125
52	-	2	-	-0.35662
53	-	2	-	-0.35346
54	-	2	-	-0.34347
55	-	2	-	-0.33099
56	-	2	-	-0.32602
57	-	2	-	-0.30872
58	-	2	-	-0.27061
59	-	2	-	-0.25487
60	-	2	-	-0.25455
61	-	2	-	-0.22918
62	-	2	-	-0.22237
63	-	2	-	-0.18005
64	-	0	-	-0.04973
65	-	0	-	-0.00018
66	-	0	-	0.00635
67	-	0	-	0.01356
68	-	0	-	0.01676
69	-	0	-	0.02013
70	-	0	-	0.02507
71	-	0	-	0.02993
72	-	0	-	0.03411
73	-	0	-	0.042
74	-	0	-	0.0448
75	-	0	-	0.05064
76	-	0	-	0.05475
77	-	0	-	0.059
78	-	0	-	0.061
79	-	0	-	0.06789
80	-	0	-	0.07423
81	-	0	-	0.07759
82	-	0	-	0.0793
83	-	0	-	0.08566
84	-	0	-	0.08911
85	-	0	-	0.09305
86	-	0	-	0.0944
87	-	0	-	0.10137
88	-	0	-	0.10247
89	-	0	-	0.10775
90	-	0	-	0.10934
91	-	0	-	0.11404
92	-	0	-	0.12533
93	-	0	-	0.12754
94	-	0	-	0.14136
95	-	0	-	0.14312
96	-	0	-	0.15013
97	-	0	-	0.15597
98	-	0	-	0.15913
99	-	0	-	0.16099
100	-	0	-	0.16345
101	-	0	-	0.16973
102	-	0	-	0.17543
103	-	0	-	0.18054
104	-	0	-	0.18541
105	-	0	-	0.18738
106	-	0	-	0.19566
107	-	0	-	0.19815
108	-	0	-	0.19941
109	-	0	-	0.20266
110	-	0	-	0.20807
111	-	0	-	0.2132
112	-	0	-	0.21558
113	-	0	-	0.21768
114	-	0	-	0.22298
115	-	0	-	0.22865
116	-	0	-	0.23023
117	-	0	-	0.23411
118	-	0	-	0.24013
119	-	0	-	0.2445
120	-	0	-	0.25096
121	-	0	-	0.25355
122	-	0	-	0.25854
123	-	0	-	0.26223
124	-	0	-	0.26769
125	-	0	-	0.27045
126	-	0	-	0.27809
127	-	0	-	0.28165
128	-	0	-	0.28913
129	-	0	-	0.29042
130	-	0	-	0.29644
131	-	0	-	0.30861
132	-	0	-	0.31243
133	-	0	-	0.31933
134	-	0	-	0.32405
135	-	0	-	0.32837
136	-	0	-	0.34103
137	-	0	-	0.34443
138	-	0	-	0.35339
139	-	0	-	0.36618
140	-	0	-	0.37407
141	-	0	-	0.37559
142	-	0	-	0.3811
143	-	0	-	0.39313
144	-	0	-	0.3996
145	-	0	-	0.40258
146	-	0	-	0.40603
147	-	0	-	0.41126
148	-	0	-	0.41385
149	-	0	-	0.42715
150	-	0	-	0.42899
151	-	0	-	0.43905
152	-	0	-	0.44139
153	-	0	-	0.44848
154	-	0	-	0.45839
155	-	0	-	0.46141
156	-	0	-	0.47242
157	-	0	-	0.49535
158	-	0	-	0.51443
159	-	0	-	0.52135
160	-	0	-	0.52367
161	-	0	-	0.52983
162	-	0	-	0.53489
163	-	0	-	0.53862
164	-	0	-	0.54604
165	-	0	-	0.55228
166	-	0	-	0.55502
167	-	0	-	0.5564
168	-	0	-	0.57673
169	-	0	-	0.58052
170	-	0	-	0.58944
171	-	0	-	0.59227
172	-	0	-	0.59452
173	-	0	-	0.6036
174	-	0	-	0.61391
175	-	0	-	0.6168
176	-	0	-	0.62677
177	-	0	-	0.63
178	-	0	-	0.63942
179	-	0	-	0.64168
180	-	0	-	0.64444
181	-	0	-	0.64748
182	-	0	-	0.66173
183	-	0	-	0.66738
184	-	0	-	0.66794
185	-	0	-	0.67894
186	-	0	-	0.67997
187	-	0	-	0.6907
188	-	0	-	0.69561
189	-	0	-	0.70322
190	-	0	-	0.70673
191	-	0	-	0.7119
192	-	0	-	0.72136
193	-	0	-	0.72805
194	-	0	-	0.73321
195	-	0	-	0.73818
196	-	0	-	0.74333
197	-	0	-	0.75079
198	-	0	-	0.75417
199	-	0	-	0.76352
200	-	0	-	0.77081
201	-	0	-	0.78128
202	-	0	-	0.79122
203	-	0	-	0.8035
204	-	0	-	0.81155
205	-	0	-	0.82311
206	-	0	-	0.82646
207	-	0	-	0.83391
208	-	0	-	0.84362
209	-	0	-	0.84934
210	-	0	-	0.85662
211	-	0	-	0.87362
212	-	0	-	0.87593
213	-	0	-	0.88204
214	-	0	-	0.90231
215	-	0	-	0.91829
216	-	0	-	0.93075
217	-	0	-	0.94059
218	-	0	-	0.94821
219	-	0	-	0.96369
220	-	0	-	0.98094
221	-	0	-	0.98952
222	-	0	-	1.01194
223	-	0	-	1.01488
224	-	0	-	1.03868
225	-	0	-	1.05301
226	-	0	-	1.08056
227	-	0	-	1.08442
228	-	0	-	1.09951
229	-	0	-	1.1016
230	-	0	-	1.11134
231	-	0	-	1.11265
232	-	0	-	1.13922
233	-	0	-	1.15225
234	-	0	-	1.16446
235	-	0	-	1.17112
236	-	0	-	1.18309
237	-	0	-	1.19674
238	-	0	-	1.20814
239	-	0	-	1.2179
240	-	0	-	1.23329
241	-	0	-	1.23957
242	-	0	-	1.24789
243	-	0	-	1.26151
244	-	0	-	1.2669
245	-	0	-	1.2897
246	-	0	-	1.29586
247	-	0	-	1.30107
248	-	0	-	1.31469
249	-	0	-	1.32648
250	-	0	-	1.33032
251	-	0	-	1.34229
252	-	0	-	1.34837
253	-	0	-	1.35618
254	-	0	-	1.37359
255	-	0	-	1.37694
256	-	0	-	1.38829
257	-	0	-	1.40011
258	-	0	-	1.41661
259	-	0	-	1.42678
260	-	0	-	1.43436
261	-	0	-	1.44864
262	-	0	-	1.47398
263	-	0	-	1.48359
264	-	0	-	1.48484
265	-	0	-	1.49638
266	-	0	-	1.51475
267	-	0	-	1.55577
268	-	0	-	1.56533
269	-	0	-	1.6118
270	-	0	-	1.6223
271	-	0	-	1.65971
272	-	0	-	1.70471
273	-	0	-	1.7163
274	-	0	-	1.74414
275	-	0	-	1.74812
276	-	0	-	1.75989
277	-	0	-	1.77033
278	-	0	-	1.77943
279	-	0	-	1.79213
280	-	0	-	1.80607
281	-	0	-	1.81763
282	-	0	-	1.82539
283	-	0	-	1.85197
284	-	0	-	1.86902
285	-	0	-	1.87789
286	-	0	-	1.88823
287	-	0	-	1.90253
288	-	0	-	1.91089
289	-	0	-	1.93105
290	-	0	-	1.93712
291	-	0	-	1.9493
292	-	0	-	1.98642
293	-	0	-	1.99455
294	-	0	-	2.00364
295	-	0	-	2.01534
296	-	0	-	2.02723
297	-	0	-	2.0397
298	-	0	-	2.04932
299	-	0	-	2.06621
300	-	0	-	2.08662
301	-	0	-	2.10456
302	-	0	-	2.10828
303	-	0	-	2.11378
304	-	0	-	2.14882
305	-	0	-	2.182
306	-	0	-	2.20064
307	-	0	-	2.23295
308	-	0	-	2.23627
309	-	0	-	2.24084
310	-	0	-	2.24632
311	-	0	-	2.26858
312	-	0	-	2.28834
313	-	0	-	2.29866
314	-	0	-	2.31576
315	-	0	-	2.33596
316	-	0	-	2.34723
317	-	0	-	2.34972
318	-	0	-	2.36325
319	-	0	-	2.37171
320	-	0	-	2.37781
321	-	0	-	2.38602
322	-	0	-	2.39504
323	-	0	-	2.40644
324	-	0	-	2.43216
325	-	0	-	2.45854
326	-	0	-	2.47723
327	-	0	-	2.49074
328	-	0	-	2.4941
329	-	0	-	2.56724
330	-	0	-	2.57694
331	-	0	-	2.57927
332	-	0	-	2.65134
333	-	0	-	2.67356
334	-	0	-	2.67625
335	-	0	-	2.68059
336	-	0	-	2.68987
337	-	0	-	2.70338
338	-	0	-	2.71152
339	-	0	-	2.7279
340	-	0	-	2.73264
341	-	0	-	2.75704
342	-	0	-	2.77852
343	-	0	-	2.78952
344	-	0	-	2.79338
345	-	0	-	2.81205
346	-	0	-	2.82505
347	-	0	-	2.86394
348	-	0	-	2.86805
349	-	0	-	2.8781
350	-	0	-	2.88398
351	-	0	-	2.90975
352	-	0	-	2.95241
353	-	0	-	2.95435
354	-	0	-	2.98875
355	-	0	-	3.004
356	-	0	-	3.04531
357	-	0	-	3.07136
358	-	0	-	3.1065
359	-	0	-	3.11224
360	-	0	-	3.13529
361	-	0	-	3.14823
362	-	0	-	3.19559
363	-	0	-	3.19866
364	-	0	-	3.2065
365	-	0	-	3.22324
366	-	0	-	3.2272
367	-	0	-	3.25304
368	-	0	-	3.2606
369	-	0	-	3.27013
370	-	0	-	3.27536
371	-	0	-	3.29415
372	-	0	-	3.29874
373	-	0	-	3.31792
374	-	0	-	3.32173
375	-	0	-	3.33487
376	-	0	-	3.34944
377	-	0	-	3.3718
378	-	0	-	3.38999
379	-	0	-	3.39523
380	-	0	-	3.40414
381	-	0	-	3.4215
382	-	0	-	3.44295
383	-	0	-	3.46445
384	-	0	-	3.47449
385	-	0	-	3.50134
386	-	0	-	3.51121
387	-	0	-	3.51211
388	-	0	-	3.51964
389	-	0	-	3.52913
390	-	0	-	3.5337
391	-	0	-	3.53504
392	-	0	-	3.58727
393	-	0	-	3.59908
394	-	0	-	3.60058
395	-	0	-	3.60677
396	-	0	-	3.61825
397	-	0	-	3.62012
398	-	0	-	3.63276
399	-	0	-	3.64256
400	-	0	-	3.64415
401	-	0	-	3.65518
402	-	0	-	3.67179
403	-	0	-	3.68479
404	-	0	-	3.70073
405	-	0	-	3.70739
406	-	0	-	3.72365
407	-	0	-	3.77524
408	-	0	-	3.77635
409	-	0	-	3.80377
410	-	0	-	3.83758
411	-	0	-	3.8536
412	-	0	-	3.8749
413	-	0	-	3.88419
414	-	0	-	3.92031
415	-	0	-	3.96179
416	-	0	-	3.99227
417	-	0	-	4.00103
418	-	0	-	4.07559
419	-	0	-	4.08603
420	-	0	-	4.1393
421	-	0	-	4.15322
422	-	0	-	4.17281
423	-	0	-	4.21611
424	-	0	-	4.23001
425	-	0	-	4.23289
426	-	0	-	4.23424
427	-	0	-	4.24554
428	-	0	-	4.26246
429	-	0	-	4.28649
430	-	0	-	4.36948
431	-	0	-	4.40074
432	-	0	-	4.4148
433	-	0	-	4.51184
434	-	0	-	4.60117
435	-	0	-	4.64668
436	-	0	-	4.68115
437	-	0	-	4.86734
438	-	0	-	4.8872
439	-	0	-	5.23398
440	-	0	-	5.25937
441	-	0	-	5.48696
442	-	0	-	6.03838
443	-	0	-	6.25972
444	-	0	-	6.27077
445	-	0	-	6.30421
446	-	0	-	6.3411
447	-	0	-	6.37291
448	-	0	-	6.80943
449	-	0	-	6.94959
450	-	0	-	7.05851
451	-	0	-	7.16873
452	-	0	-	7.33632
453	-	0	-	7.44601
454	-	0	-	7.62367
455	-	0	-	7.63896
456	-	0	-	7.74707
457	-	0	-	23.68617
458	-	0	-	23.88858
459	-	0	-	23.9503
460	-	0	-	23.95277
461	-	0	-	23.97698
462	-	0	-	24.0645
463	-	0	-	24.10271
464	-	0	-	24.13114
465	-	0	-	24.19589
466	-	0	-	24.20121
467	-	0	-	24.29395
468	-	0	-	48.066
469	-	0	-	50.15296
470	-	0	-	289.83767
471	-	0	-	289.85223
472	-	0	-	289.96042102
473	-	0	-	999.9
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.58312
2	C	-0.10988
3	C	-0.22768
4	C	-0.27669
5	C	-0.22783
6	C	-0.10926
7	C	0.33835
8	O	-0.79176
9	C	-0.58274
10	H	0.20128
11	H	0.20438
12	H	0.19619
13	H	0.19608
14	H	0.20009
15	H	0.19606
16	H	0.20417
17	H	0.20164
18	H	0.19624
19	C	-0.09747
20	C	-0.46635
21	C	-0.57348
22	H	0.20257
23	H	0.20279
24	H	0.19719
25	H	0.24453
26	H	0.21596
27	H	0.20977
28	H	0.21267
29	Br	-0.57371

Natural Atomic Orbitals

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	C1 Cor(1S)	1.999307227	-	-10.007359806
2	C1 Val(2S)	1.073362612	-	-0.223213399
3	C1 Ryd(3S)	0.000933892	-	0.929728866
4	C1 Ryd(4S)	0.000098151	-	1.236369312
5	C1 Ryd(5S)	0.000003159	-	22.675851768
6	C1 Val(2p)	1.185993976	-	-0.076496924
7	C1 Ryd(4p)	0.002391291	-	0.576760493
8	C1 Ryd(3p)	0.000208240	-	0.363400701
9	C1 Ryd(5p)	0.000061432	-	3.302938880
10	C1 Val(2p)	1.112710064	-	-0.074129426
11	C1 Ryd(4p)	0.001163903	-	0.563857494
12	C1 Ryd(3p)	0.000310001	-	0.272039687
13	C1 Ryd(5p)	0.000095401	-	3.298285628
14	C1 Val(2p)	1.198025504	-	-0.076707473
15	C1 Ryd(4p)	0.002956825	-	0.639547518
16	C1 Ryd(3p)	0.000155892	-	0.307271851
17	C1 Ryd(5p)	0.000047562	-	3.331850313
18	C1 Ryd(3d)	0.000721142	-	1.779012307
19	C1 Ryd(4d)	0.000135545	-	2.980041577
20	C1 Ryd(3d)	0.000851893	-	1.780673201
21	C1 Ryd(4d)	0.000046968	-	2.980832810
22	C1 Ryd(3d)	0.001172251	-	1.895049605
23	C1 Ryd(4d)	0.000105476	-	3.127009842
24	C1 Ryd(3d)	0.001292339	-	1.869851549
25	C1 Ryd(4d)	0.000070113	-	3.084318406
26	C1 Ryd(3d)	0.000829097	-	1.748762634
27	C1 Ryd(4d)	0.000067665	-	2.918876162
28	C2 Cor(1S)	1.998970657	-	-10.007674411
29	C2 Val(2S)	0.898942972	-	-0.119157662
30	C2 Ryd(3S)	0.001079254	-	1.078021788
31	C2 Ryd(4S)	0.000109195	-	1.970654661
32	C2 Ryd(5S)	0.000010481	-	20.934337104
33	C2 Val(2p)	1.067325564	-	-0.050439379
34	C2 Ryd(4p)	0.004074226	-	0.920331939
35	C2 Ryd(3p)	0.000491971	-	0.591578667
36	C2 Ryd(5p)	0.000121330	-	3.384104155
37	C2 Val(2p)	1.056037431	-	-0.043926400
38	C2 Ryd(4p)	0.004761426	-	1.169410911
39	C2 Ryd(3p)	0.000469096	-	0.620168967
40	C2 Ryd(5p)	0.000127374	-	3.468798031
41	C2 Val(2p)	1.068351374	-	-0.044663081
42	C2 Ryd(4p)	0.003159547	-	0.929864324
43	C2 Ryd(3p)	0.000552949	-	0.628447040
44	C2 Ryd(5p)	0.000125445	-	3.446246225
45	C2 Ryd(3d)	0.000652053	-	1.683622158
46	C2 Ryd(4d)	0.000373378	-	3.602884109
47	C2 Ryd(3d)	0.000913731	-	2.198511867
48	C2 Ryd(4d)	0.000406453	-	3.549962552
49	C2 Ryd(3d)	0.000781062	-	1.819193875
50	C2 Ryd(4d)	0.000404363	-	3.630767662
51	C2 Ryd(3d)	0.000532695	-	1.609192451
52	C2 Ryd(4d)	0.000388480	-	3.532366804
53	C2 Ryd(3d)	0.000363725	-	1.582170858
54	C2 Ryd(4d)	0.000352080	-	3.459232517
55	C3 Cor(1S)	1.999056791	-	-10.001386292
56	C3 Val(2S)	0.936805201	-	-0.132781351
57	C3 Ryd(4S)	0.001354280	-	1.309510156
58	C3 Ryd(3S)	0.000101569	-	0.798473059
59	C3 Ryd(5S)	0.000014868	-	21.497589539
60	C3 Val(2p)	1.066095084	-	-0.055013675
61	C3 Ryd(4p)	0.003320069	-	0.720280527
62	C3 Ryd(3p)	0.000544594	-	0.491936723
63	C3 Ryd(5p)	0.000113585	-	3.178311719
64	C3 Val(2p)	1.090181633	-	-0.044517207
65	C3 Ryd(4p)	0.004881846	-	0.914350662
66	C3 Ryd(3p)	0.000433262	-	0.497447244
67	C3 Ryd(5p)	0.000118664	-	3.407939806
68	C3 Val(2p)	1.114864366	-	-0.054386871
69	C3 Ryd(4p)	0.004238836	-	0.930639586
70	C3 Ryd(3p)	0.000409842	-	0.431732565
71	C3 Ryd(5p)	0.000059754	-	3.231370914
72	C3 Ryd(3d)	0.000863837	-	2.174358218
73	C3 Ryd(4d)	0.000372643	-	3.462853989
74	C3 Ryd(3d)	0.000933110	-	1.811065736
75	C3 Ryd(4d)	0.000228242	-	3.377670766
76	C3 Ryd(3d)	0.000717535	-	1.734362288
77	C3 Ryd(4d)	0.000471763	-	3.385475574
78	C3 Ryd(3d)	0.000514136	-	1.699120246
79	C3 Ryd(4d)	0.000225424	-	3.285178151
80	C3 Ryd(3d)	0.000512643	-	1.656970155
81	C3 Ryd(4d)	0.000244350	-	3.207115842
82	C4 Cor(1S)	1.999150423	-	-9.999831701
83	C4 Val(2S)	0.940014777	-	-0.137829346
84	C4 Ryd(4S)	0.001412690	-	1.313775485
85	C4 Ryd(3S)	0.000120242	-	0.916595137
86	C4 Ryd(5S)	0.000002991	-	21.180855179
87	C4 Val(2p)	1.133526823	-	-0.056746260
88	C4 Ryd(4p)	0.005225276	-	0.874830942
89	C4 Ryd(3p)	0.000395024	-	0.502441977
90	C4 Ryd(5p)	0.000045498	-	3.065551370
91	C4 Val(2p)	1.078955483	-	-0.043029467
92	C4 Ryd(4p)	0.005292449	-	0.729824069
93	C4 Ryd(3p)	0.000434058	-	0.650162795
94	C4 Ryd(5p)	0.000155998	-	3.146179545
95	C4 Val(2p)	1.101617633	-	-0.052704124
96	C4 Ryd(4p)	0.005035433	-	0.765530837
97	C4 Ryd(3p)	0.000429404	-	0.572159723
98	C4 Ryd(5p)	0.000098418	-	3.076916801
99	C4 Ryd(3d)	0.000733037	-	1.781177994
100	C4 Ryd(4d)	0.000298615	-	3.356406324
101	C4 Ryd(3d)	0.000827004	-	1.711903868
102	C4 Ryd(4d)	0.000367450	-	3.360193809
103	C4 Ryd(3d)	0.000798285	-	2.174052896
104	C4 Ryd(4d)	0.000345618	-	3.386435585
105	C4 Ryd(3d)	0.000462257	-	1.804630629
106	C4 Ryd(4d)	0.000329496	-	3.244428654
107	C4 Ryd(3d)	0.000391585	-	1.619490057
108	C4 Ryd(4d)	0.000220990	-	3.191350884
109	C5 Cor(1S)	1.999056500	-	-10.001393979
110	C5 Val(2S)	0.936809679	-	-0.132740517
111	C5 Ryd(4S)	0.001348945	-	1.315443251
112	C5 Ryd(3S)	0.000099549	-	0.781943648
113	C5 Ryd(5S)	0.000014463	-	21.510125370
114	C5 Val(2p)	1.072442417	-	-0.055152327
115	C5 Ryd(4p)	0.003363664	-	0.740944111
116	C5 Ryd(3p)	0.000531038	-	0.487287594
117	C5 Ryd(5p)	0.000107291	-	3.173552589
118	C5 Val(2p)	1.136449077	-	-0.046331461
119	C5 Ryd(4p)	0.005206913	-	1.064295851
120	C5 Ryd(3p)	0.000360206	-	0.441651173
121	C5 Ryd(5p)	0.000063496	-	3.365400471
122	C5 Val(2p)	1.062415690	-	-0.052458462
123	C5 Ryd(4p)	0.003868665	-	0.759360030
124	C5 Ryd(3p)	0.000496890	-	0.490650062
125	C5 Ryd(5p)	0.000121061	-	3.275386483
126	C5 Ryd(3d)	0.000748869	-	1.739608926
127	C5 Ryd(4d)	0.000350450	-	3.372039598
128	C5 Ryd(3d)	0.001005496	-	2.201084542
129	C5 Ryd(4d)	0.000331438	-	3.463087859
130	C5 Ryd(3d)	0.000837064	-	1.812587200
131	C5 Ryd(4d)	0.000178085	-	3.374622221
132	C5 Ryd(3d)	0.000554253	-	1.640635280
133	C5 Ryd(4d)	0.000328707	-	3.243574589
134	C5 Ryd(3d)	0.000391130	-	1.686111806
135	C5 Ryd(4d)	0.000353210	-	3.259150724
136	C6 Cor(1S)	1.998970870	-	-10.007666865
137	C6 Val(2S)	0.898971930	-	-0.119129201
138	C6 Ryd(3S)	0.001091332	-	1.077655332
139	C6 Ryd(4S)	0.000103025	-	1.975768037
140	C6 Ryd(5S)	0.000010519	-	20.941555260
141	C6 Val(2p)	1.069201094	-	-0.049413776
142	C6 Ryd(4p)	0.003954654	-	0.907847628
143	C6 Ryd(3p)	0.000497856	-	0.590929685
144	C6 Ryd(5p)	0.000120633	-	3.396104557
145	C6 Val(2p)	1.065854052	-	-0.038121294
146	C6 Ryd(4p)	0.003678609	-	1.071278663
147	C6 Ryd(3p)	0.000608526	-	0.675932548
148	C6 Ryd(5p)	0.000140690	-	3.539748832
149	C6 Val(2p)	1.056001369	-	-0.051221137
150	C6 Ryd(4p)	0.004344053	-	1.040855720
151	C6 Ryd(3p)	0.000408478	-	0.563375874
152	C6 Ryd(5p)	0.000111011	-	3.359805437
153	C6 Ryd(3d)	0.000873928	-	2.130269480
154	C6 Ryd(4d)	0.000521543	-	3.541736426
155	C6 Ryd(3d)	0.000747997	-	1.797104610
156	C6 Ryd(4d)	0.000269868	-	3.611513289
157	C6 Ryd(3d)	0.000655945	-	1.718859124
158	C6 Ryd(4d)	0.000362704	-	3.637215782
159	C6 Ryd(3d)	0.000457187	-	1.634345545
160	C6 Ryd(4d)	0.000331792	-	3.540526040
161	C6 Ryd(3d)	0.000532707	-	1.595048182
162	C6 Ryd(4d)	0.000437082	-	3.459611471
163	C7 Cor(1S)	1.998776796	-	-10.053755253
164	C7 Val(2S)	0.806318333	-	-0.069805620
165	C7 Ryd(4S)	0.002494882	-	1.560399134
166	C7 Ryd(3S)	0.000121429	-	1.478627709
167	C7 Ryd(5S)	0.000013825	-	20.227943689
168	C7 Val(2p)	0.870700856	-	-0.025529015
169	C7 Ryd(4p)	0.008878012	-	1.169497388
170	C7 Ryd(3p)	0.001035532	-	0.651850819
171	C7 Ryd(5p)	0.000138556	-	3.037211129
172	C7 Val(2p)	1.007976499	-	-0.025278957
173	C7 Ryd(4p)	0.004431335	-	1.312165919
174	C7 Ryd(3p)	0.000376165	-	0.631692498
175	C7 Ryd(5p)	0.000245552	-	2.828027066
176	C7 Val(2p)	0.946526217	-	-0.029591284
177	C7 Ryd(4p)	0.006114650	-	1.177702625
178	C7 Ryd(3p)	0.000449091	-	0.604776779
179	C7 Ryd(5p)	0.000187057	-	2.924894542
180	C7 Ryd(3d)	0.001025628	-	2.549762744
181	C7 Ryd(4d)	0.000337526	-	3.072697168
182	C7 Ryd(3d)	0.000918644	-	2.539888909
183	C7 Ryd(4d)	0.000440727	-	3.084668776
184	C7 Ryd(3d)	0.000970117	-	2.659843450
185	C7 Ryd(4d)	0.000437020	-	3.160330259
186	C7 Ryd(3d)	0.001048488	-	2.446146603
187	C7 Ryd(4d)	0.000416287	-	2.890105713
188	C7 Ryd(3d)	0.001044291	-	2.380339981
189	C7 Ryd(4d)	0.000227436	-	2.785546060
190	O8 Cor(1S)	1.999791132	-	-18.827720550
191	O8 Val(2S)	1.711317521	-	-0.830344608
192	O8 Ryd(3S)	0.002417579	-	1.485723902
193	O8 Ryd(4S)	0.000106052	-	1.634648028
194	O8 Ryd(5S)	0.000001049	-	49.632513688
195	O8 Val(2p)	1.508218691	-	-0.219809137
196	O8 Ryd(3p)	0.002866249	-	0.727659909
197	O8 Ryd(4p)	0.000373702	-	1.756511792
198	O8 Ryd(5p)	0.000065545	-	5.314316294
199	O8 Val(2p)	1.826787188	-	-0.224930455
200	O8 Ryd(3p)	0.003495845	-	0.630309038
201	O8 Ryd(4p)	0.000144424	-	1.538033046
202	O8 Ryd(5p)	0.000033203	-	5.204932390
203	O8 Val(2p)	1.721692377	-	-0.228578329
204	O8 Ryd(3p)	0.003204072	-	0.660776846
205	O8 Ryd(4p)	0.000247919	-	1.463612152
206	O8 Ryd(5p)	0.000056031	-	5.148829208
207	O8 Ryd(3d)	0.002267378	-	1.925661337
208	O8 Ryd(4d)	0.000040671	-	7.041993724
209	O8 Ryd(3d)	0.002951343	-	1.982647053
210	O8 Ryd(4d)	0.000033144	-	7.058225620
211	O8 Ryd(3d)	0.001685442	-	1.822443493
212	O8 Ryd(4d)	0.000017023	-	6.965096220
213	O8 Ryd(3d)	0.001757436	-	1.897547730
214	O8 Ryd(4d)	0.000035004	-	7.014906352
215	O8 Ryd(3d)	0.002116766	-	1.860341139
216	O8 Ryd(4d)	0.000039771	-	7.005308980
217	C9 Cor(1S)	1.999307918	-	-10.007383270
218	C9 Val(2S)	1.073373018	-	-0.223186019
219	C9 Ryd(3S)	0.000933258	-	0.933750814
220	C9 Ryd(4S)	0.000091653	-	1.383771431
221	C9 Ryd(5S)	0.000002722	-	22.509350652
222	C9 Val(2p)	1.192166679	-	-0.076677119
223	C9 Ryd(4p)	0.002544046	-	0.588542999
224	C9 Ryd(3p)	0.000155185	-	0.328147789
225	C9 Ryd(5p)	0.000058029	-	3.302011465
226	C9 Val(2p)	1.169912903	-	-0.074890474
227	C9 Ryd(4p)	0.002774622	-	0.649013259
228	C9 Ryd(3p)	0.000188984	-	0.289234718
229	C9 Ryd(5p)	0.000064702	-	3.337717857
230	C9 Val(2p)	1.134401404	-	-0.075742444
231	C9 Ryd(4p)	0.001117489	-	0.543098633
232	C9 Ryd(3p)	0.000268135	-	0.267938652
233	C9 Ryd(5p)	0.000080970	-	3.271587047
234	C9 Ryd(3d)	0.001083921	-	1.831218679
235	C9 Ryd(4d)	0.000064985	-	3.026031803
236	C9 Ryd(3d)	0.000489714	-	1.728048254
237	C9 Ryd(4d)	0.000128894	-	2.936326326
238	C9 Ryd(3d)	0.001299893	-	1.918861708
239	C9 Ryd(4d)	0.000068739	-	3.176508545
240	C9 Ryd(3d)	0.000823217	-	1.771972063
241	C9 Ryd(4d)	0.000081604	-	2.973618710
242	C9 Ryd(3d)	0.001174849	-	1.815956534
243	C9 Ryd(4d)	0.000083359	-	2.990410474
244	H10 Val(1S)	0.796911078	-	0.046421096
245	H10 Ryd(2S)	0.001203204	-	0.695029676
246	H10 Ryd(3S)	0.000125118	-	2.281934763
247	H10 Ryd(2p)	0.000224918	-	2.809040912
248	H10 Ryd(2p)	0.000144235	-	2.105405611
249	H10 Ryd(2p)	0.000112097	-	2.071507382
250	H11 Val(1S)	0.793800565	-	0.047143947
251	H11 Ryd(2S)	0.001209251	-	0.749918723
252	H11 Ryd(3S)	0.000115718	-	2.179480239
253	H11 Ryd(2p)	0.000107072	-	2.005657604
254	H11 Ryd(2p)	0.000160425	-	2.276217577
255	H11 Ryd(2p)	0.000231326	-	2.700459040
256	H12 Val(1S)	0.802418134	-	0.046132439
257	H12 Ryd(2S)	0.000862511	-	0.857708599
258	H12 Ryd(3S)	0.000088592	-	1.977074566
259	H12 Ryd(2p)	0.000126231	-	2.251845882
260	H12 Ryd(2p)	0.000209404	-	2.617339111
261	H12 Ryd(2p)	0.000101270	-	2.142983419
262	H13 Val(1S)	0.802208724	-	0.063120330
263	H13 Ryd(2S)	0.000913884	-	1.317408544
264	H13 Ryd(3S)	0.000143018	-	1.784073435
265	H13 Ryd(2p)	0.000168836	-	2.407581584
266	H13 Ryd(2p)	0.000363041	-	2.705540773
267	H13 Ryd(2p)	0.000122849	-	2.396023381
268	H14 Val(1S)	0.798286993	-	0.064857165
269	H14 Ryd(2S)	0.000799384	-	1.087857860
270	H14 Ryd(3S)	0.000160771	-	1.995330004
271	H14 Ryd(2p)	0.000322012	-	2.516404109
272	H14 Ryd(2p)	0.000127513	-	2.474122320
273	H14 Ryd(2p)	0.000210578	-	2.446478022
274	H15 Val(1S)	0.802231867	-	0.063111772
275	H15 Ryd(2S)	0.000913495	-	1.316006457
276	H15 Ryd(3S)	0.000142585	-	1.785160776
277	H15 Ryd(2p)	0.000146147	-	2.387125138
278	H15 Ryd(2p)	0.000190001	-	2.559775199
279	H15 Ryd(2p)	0.000318217	-	2.562002257
280	H16 Val(1S)	0.794024214	-	0.046819613
281	H16 Ryd(2S)	0.001187011	-	0.750495478
282	H16 Ryd(3S)	0.000115521	-	2.182617107
283	H16 Ryd(2p)	0.000106335	-	2.011710482
284	H16 Ryd(2p)	0.000198342	-	2.459309335
285	H16 Ryd(2p)	0.000194457	-	2.512170813
286	H17 Val(1S)	0.796462880	-	0.046987891
287	H17 Ryd(2S)	0.001289824	-	0.707190786
288	H17 Ryd(3S)	0.000124780	-	2.276523319
289	H17 Ryd(2p)	0.000230219	-	2.840869245
290	H17 Ryd(2p)	0.000120617	-	2.096385424
291	H17 Ryd(2p)	0.000130064	-	2.049099273
292	H18 Val(1S)	0.802372473	-	0.046070727
293	H18 Ryd(2S)	0.000858574	-	0.863975767
294	H18 Ryd(3S)	0.000087336	-	1.974957761
295	H18 Ryd(2p)	0.000113115	-	2.198582335
296	H18 Ryd(2p)	0.000134997	-	2.320654719
297	H18 Ryd(2p)	0.000188687	-	2.494235796
298	C19 Cor(1S)	1.999364892	-	-10.101249630
299	C19 Val(2S)	1.132017833	-	-0.305792145
300	C19 Ryd(4S)	0.001985414	-	0.996759326
301	C19 Ryd(3S)	0.000673510	-	0.644364610
302	C19 Ryd(5S)	0.000007293	-	23.477393002
303	C19 Val(2p)	0.796179933	-	-0.107197692
304	C19 Ryd(3p)	0.005558222	-	0.671018045
305	C19 Ryd(4p)	0.000538493	-	0.717368103
306	C19 Ryd(5p)	0.000042795	-	3.034199390
307	C19 Val(2p)	1.104967974	-	-0.079322950
308	C19 Ryd(4p)	0.003329665	-	0.576263364
309	C19 Ryd(3p)	0.000585939	-	0.472425175
310	C19 Ryd(5p)	0.000067713	-	3.183951545
311	C19 Val(2p)	1.040585273	-	-0.082959293
312	C19 Ryd(4p)	0.003898951	-	0.536103668
313	C19 Ryd(3p)	0.000578957	-	0.463634365
314	C19 Ryd(5p)	0.000080744	-	3.168138969
315	C19 Ryd(3d)	0.001211036	-	1.349557190
316	C19 Ryd(4d)	0.000123189	-	3.281686258
317	C19 Ryd(3d)	0.001320286	-	1.400912825
318	C19 Ryd(4d)	0.000098499	-	3.301257586
319	C19 Ryd(3d)	0.001754929	-	1.507970599
320	C19 Ryd(4d)	0.000089560	-	3.357972556
321	C19 Ryd(3d)	0.001078279	-	1.311953429
322	C19 Ryd(4d)	0.000115079	-	3.218784286
323	C19 Ryd(3d)	0.001050917	-	1.359990583
324	C19 Ryd(4d)	0.000167455	-	3.210601700
325	C20 Cor(1S)	1.999182336	-	-10.027433696
326	C20 Val(2S)	1.032058434	-	-0.239246804
327	C20 Ryd(3S)	0.002245884	-	0.874036672
328	C20 Ryd(4S)	0.000337662	-	1.045865515
329	C20 Ryd(5S)	0.000002658	-	23.093191168
330	C20 Val(2p)	1.171157479	-	-0.092965802
331	C20 Ryd(4p)	0.002868935	-	0.625827634
332	C20 Ryd(3p)	0.000340327	-	0.321533283
333	C20 Ryd(5p)	0.000099733	-	3.303996678
334	C20 Val(2p)	1.101966146	-	-0.090640360
335	C20 Ryd(4p)	0.003558517	-	0.626440290
336	C20 Ryd(3p)	0.000476634	-	0.377451383
337	C20 Ryd(5p)	0.000186569	-	3.306491371
338	C20 Val(2p)	1.143176248	-	-0.103505094
339	C20 Ryd(4p)	0.002032201	-	0.523434731
340	C20 Ryd(3p)	0.000366764	-	0.354844354
341	C20 Ryd(5p)	0.000155944	-	3.230837924
342	C20 Ryd(3d)	0.001493458	-	1.777019236
343	C20 Ryd(4d)	0.000086713	-	3.142266803
344	C20 Ryd(3d)	0.001855885	-	1.822570426
345	C20 Ryd(4d)	0.000049424	-	3.233336938
346	C20 Ryd(3d)	0.001089629	-	1.786789897
347	C20 Ryd(4d)	0.000158540	-	3.140941618
348	C20 Ryd(3d)	0.000586972	-	1.634866107
349	C20 Ryd(4d)	0.000121187	-	2.960868631
350	C20 Ryd(3d)	0.000390856	-	1.651609746
351	C20 Ryd(4d)	0.000308943	-	2.989914909
352	C21 Cor(1S)	1.999373741	-	-10.015594355
353	C21 Val(2S)	1.085405694	-	-0.243148164
354	C21 Ryd(3S)	0.000901403	-	0.711395669
355	C21 Ryd(4S)	0.000213783	-	0.840000927
356	C21 Ryd(5S)	0.000000735	-	23.286547917
357	C21 Val(2p)	1.184800607	-	-0.083850866
358	C21 Ryd(4p)	0.001256816	-	0.553333941
359	C21 Ryd(3p)	0.000154055	-	0.282213906
360	C21 Ryd(5p)	0.000020441	-	3.195604692
361	C21 Val(2p)	1.097313300	-	-0.081249988
362	C21 Ryd(4p)	0.001262779	-	0.538590152
363	C21 Ryd(3p)	0.000383932	-	0.247084432
364	C21 Ryd(5p)	0.000102376	-	3.151211099
365	C21 Val(2p)	1.195257003	-	-0.083781515
366	C21 Ryd(4p)	0.002069200	-	0.581936863
367	C21 Ryd(3p)	0.000176279	-	0.274921040
368	C21 Ryd(5p)	0.000042688	-	3.231486269
369	C21 Ryd(3d)	0.001116705	-	1.927804621
370	C21 Ryd(4d)	0.000062891	-	2.948630808
371	C21 Ryd(3d)	0.001553683	-	1.944473399
372	C21 Ryd(4d)	0.000037387	-	2.961810593
373	C21 Ryd(3d)	0.000836771	-	1.867241908
374	C21 Ryd(4d)	0.000055551	-	2.845791562
375	C21 Ryd(3d)	0.000476699	-	1.783279952
376	C21 Ryd(4d)	0.000053646	-	2.751160390
377	C21 Ryd(3d)	0.000503578	-	1.756521149
378	C21 Ryd(4d)	0.000049215	-	2.724794772
379	H22 Val(1S)	0.796450126	-	0.041799972
380	H22 Ryd(2S)	0.000437438	-	0.645557869
381	H22 Ryd(3S)	0.000091154	-	2.149258233
382	H22 Ryd(2p)	0.000133360	-	2.133067287
383	H22 Ryd(2p)	0.000152864	-	2.246333947
384	H22 Ryd(2p)	0.000166516	-	2.480575594
385	H23 Val(1S)	0.795839543	-	0.045582517
386	H23 Ryd(2S)	0.000756144	-	0.741386705
387	H23 Ryd(3S)	0.000120724	-	2.099209787
388	H23 Ryd(2p)	0.000187073	-	2.409656531
389	H23 Ryd(2p)	0.000119918	-	2.091873236
390	H23 Ryd(2p)	0.000182266	-	2.375182141
391	H24 Val(1S)	0.801275324	-	0.041079996
392	H24 Ryd(2S)	0.000955724	-	0.738406453
393	H24 Ryd(3S)	0.000099053	-	2.131239992
394	H24 Ryd(2p)	0.000170190	-	2.394332095
395	H24 Ryd(2p)	0.000185637	-	2.362973167
396	H24 Ryd(2p)	0.000125570	-	2.099266456
397	H25 Val(1S)	0.753325706	-	0.052134000
398	H25 Ryd(2S)	0.001482797	-	1.069501298
399	H25 Ryd(3S)	0.000149624	-	1.889781034
400	H25 Ryd(2p)	0.000213500	-	2.434114887
401	H25 Ryd(2p)	0.000116358	-	2.147771320
402	H25 Ryd(2p)	0.000183173	-	2.553747131
403	H26 Val(1S)	0.782164165	-	0.040236573
404	H26 Ryd(2S)	0.001250358	-	0.750268548
405	H26 Ryd(3S)	0.000117056	-	2.172843454
406	H26 Ryd(2p)	0.000181951	-	2.458436800
407	H26 Ryd(2p)	0.000173668	-	2.411357210
408	H26 Ryd(2p)	0.000154443	-	2.290734026
409	H27 Val(1S)	0.787866850	-	0.061623754
410	H27 Ryd(2S)	0.001361193	-	0.989150217
411	H27 Ryd(3S)	0.000245721	-	2.065261659
412	H27 Ryd(2p)	0.000212542	-	2.183549379
413	H27 Ryd(2p)	0.000175609	-	2.315829520
414	H27 Ryd(2p)	0.000363938	-	2.742720486
415	H28 Val(1S)	0.785309500	-	0.065039041
416	H28 Ryd(2S)	0.001031262	-	1.041624228
417	H28 Ryd(3S)	0.000284890	-	1.999600772
418	H28 Ryd(2p)	0.000214518	-	2.192699883
419	H28 Ryd(2p)	0.000371778	-	2.837109848
420	H28 Ryd(2p)	0.000115707	-	2.233191180
421	Br29 Cor(1S)	1.999999999	-	-480.943372983
422	Br29 Cor(2S)	1.999999967	-	-61.531910467
423	Br29 Cor(3S)	1.999981645	-	-11.116198917
424	Br29 Val(4S)	1.970008685	-	-0.878369683
425	Br29 Ryd(5S)	0.000730886	-	0.225994430
426	Br29 Ryd(6S)	0.000038571	-	0.908735470
427	Br29 Ryd(7S)	0.000001443	-	15.315740984
428	Br29 Ryd(8S)	0.000000026	-	102.768749200
429	Br29 Ryd(9S)	0.000000000	-	957.215756190
430	Br29 Cor(2p)	1.999994697	-	-39.706471836
431	Br29 Cor(3p)	1.999992052	-	-22.964799195
432	Br29 Val(4p)	1.783418227	-	-0.248053485
433	Br29 Ryd(5p)	0.000462079	-	0.362129647
434	Br29 Ryd(6p)	0.000072808	-	0.384465468
435	Br29 Ryd(7p)	0.000009236	-	3.477926522
436	Br29 Ryd(8p)	0.000000235	-	11.036726869
437	Br29 Ryd(9p)	0.000000001	-	285.071021452
438	Br29 Cor(2p)	1.999997921	-	-39.705445397
439	Br29 Cor(3p)	1.999996985	-	-22.963714084
440	Br29 Val(4p)	1.923692449	-	-0.255725781
441	Br29 Ryd(6p)	0.000261624	-	0.373450397
442	Br29 Ryd(5p)	0.000056698	-	0.372064540
443	Br29 Ryd(7p)	0.000008274	-	3.379926149
444	Br29 Ryd(8p)	0.000000162	-	11.040563918
445	Br29 Ryd(9p)	0.000000001	-	285.072660418
446	Br29 Cor(2p)	1.999997711	-	-39.705654459
447	Br29 Cor(3p)	1.999996632	-	-22.963940540
448	Br29 Val(4p)	1.892363904	-	-0.253959868
449	Br29 Ryd(5p)	0.000392338	-	0.355784204
450	Br29 Ryd(6p)	0.000085218	-	0.373550162
451	Br29 Ryd(7p)	0.000006020	-	3.383359047
452	Br29 Ryd(8p)	0.000000183	-	11.037553251
453	Br29 Ryd(9p)	0.000000001	-	285.072148733
454	Br29 Cor(3d)	1.999961050	-	-2.560759250
455	Br29 Ryd(4d)	0.000636188	-	0.603359313
456	Br29 Ryd(5d)	0.000014220	-	2.160455184
457	Br29 Ryd(6d)	0.000000208	-	6.033579091
458	Br29 Cor(3d)	1.999950853	-	-2.561053600
459	Br29 Ryd(4d)	0.000718963	-	0.654084249
460	Br29 Ryd(5d)	0.000018758	-	2.176172351
461	Br29 Ryd(6d)	0.000000303	-	6.033450483
462	Br29 Cor(3d)	1.999965139	-	-2.559635432
463	Br29 Ryd(4d)	0.000289377	-	0.561481361
464	Br29 Ryd(5d)	0.000010964	-	2.178302641
465	Br29 Ryd(6d)	0.000000129	-	6.040620277
466	Br29 Cor(3d)	1.999971153	-	-2.560770493
467	Br29 Ryd(4d)	0.000294626	-	0.571262310
468	Br29 Ryd(5d)	0.000014097	-	2.160675100
469	Br29 Ryd(6d)	0.000000234	-	6.033857602
470	Br29 Cor(3d)	1.999980167	-	-2.560225620
471	Br29 Ryd(4d)	0.000296709	-	0.529675448
472	Br29 Ryd(5d)	0.000017830	-	2.143589610
473	Br29 Ryd(6d)	0.000000123	-	6.034393173

Natural Hybrid Orbitals

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	BD(1)C1(C2) 1s(30.73%)p2.25(69.17%)d0.00(0.10%)	0.990404858	-	-0.079406077
2	BD(1)C2(C1) 2s(30.96%)p2.23(68.99%)d0.00(0.05%)	1.008109071	-	-0.085341938
3	BD(1)C1(H16) 1s(22.96%)p3.35(76.95%)d0.00(0.09%)	1.197964262	-	-0.120327160
4	BD(1)H16(C1) 16s(99.98%)p0.00(0.02%)	0.794222912	-	0.048924400
5	BD(1)C1(H17) 1s(23.06%)p3.33(76.84%)d0.00(0.09%)	1.194669246	-	-0.119673487
6	BD(1)H17(C1) 17s(99.98%)p0.00(0.02%)	0.796645983	-	0.048855880
7	BD(1)C1(H18) 1s(23.24%)p3.30(76.67%)d0.00(0.08%)	1.192789942	-	-0.117186109
8	BD(1)H18(C1) 18s(99.98%)p0.00(0.02%)	0.802571798	-	0.047590652
9	BD(1)C2(C3) 2s(35.51%)p1.81(64.41%)d0.00(0.08%)	1.008416896	-	-0.035372168
10	BD(1)C3(C2) 3s(36.26%)p1.76(63.64%)d0.00(0.11%)	0.986912518	-	-0.027883140
11	BD(2)C2(C3) 2s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.052708627	-	-0.081055837
12	BD(2)C3(C2) 3s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.035263917	-	-0.093666256
13	BD(1)C2(C7) 2s(33.41%)p1.99(66.51%)d0.00(0.08%)	1.025975323	-	-0.044901775
14	BD(1)C7(C2) 7s(35.87%)p1.79(64.07%)d0.00(0.05%)	0.993929239	-	-0.032723258
15	BD(1)C3(C4) 3s(35.91%)p1.78(63.98%)d0.00(0.11%)	1.001311480	-	-0.041581469
16	BD(1)C4(C3) 4s(35.65%)p1.80(64.23%)d0.00(0.11%)	0.991149913	-	-0.035108463
17	BD(1)C3(H15) 3s(27.72%)p2.61(72.24%)d0.00(0.04%)	1.192450936	-	-0.106322154
18	BD(1)H15(C3) 15s(99.96%)p0.00(0.04%)	0.802590737	-	0.065837446
19	BD(1)C4(C5) 4s(35.65%)p1.80(64.24%)d0.00(0.11%)	0.991138690	-	-0.035163683
20	BD(1)C5(C4) 5s(35.90%)p1.78(63.99%)d0.00(0.11%)	1.001304109	-	-0.041615757
21	BD(1)C4(H14) 4s(28.60%)p2.50(71.36%)d0.00(0.04%)	1.195139196	-	-0.107521791
22	BD(1)H14(C4) 14s(99.96%)p0.00(0.04%)	0.798623002	-	0.067007925
23	BD(1)C5(C6) 5s(36.26%)p1.75(63.63%)d0.00(0.11%)	0.986978853	-	-0.027803921
24	BD(1)C6(C5) 6s(35.52%)p1.81(64.40%)d0.00(0.08%)	1.008372516	-	-0.035263739
25	BD(2)C5(C6) 5s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.035349526	-	-0.093671933
26	BD(2)C6(C5) 6s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.052186742	-	-0.080988087
27	BD(1)C5(H13) 5s(27.72%)p2.61(72.24%)d0.00(0.04%)	1.192483299	-	-0.106341765
28	BD(1)H13(C5) 13s(99.96%)p0.00(0.04%)	0.802567859	-	0.065847036
29	BD(1)C6(C7) 6s(33.39%)p1.99(66.53%)d0.00(0.08%)	1.025901088	-	-0.044815336
30	BD(1)C7(C6) 7s(35.83%)p1.79(64.11%)d0.00(0.05%)	0.993843463	-	-0.032659981
31	BD(1)C6(C9) 6s(30.96%)p2.23(68.99%)d0.00(0.05%)	1.008142366	-	-0.085305140
32	BD(1)C9(C6) 9s(30.74%)p2.25(69.17%)d0.00(0.10%)	0.990359025	-	-0.079348304
33	BD(1)C7(O8) 7s(27.79%)p2.59(72.11%)d0.00(0.10%)	0.720926255	-	-0.000714216
34	BD(1)O8(C7) 8s(37.32%)p1.67(62.39%)d0.01(0.28%)	1.291691579	-	-0.404014386
35	BD(2)C7(O8) 7s(0.32%)p99.99(99.55%)d0.38(0.12%)	0.926483143	-	-0.069239635
36	BD(2)O8(C7) 8s(0.92%)p99.99(98.91%)d0.18(0.16%)	1.598362445	-	-0.219734305
37	BD(1)C9(H10) 9s(23.03%)p3.34(76.88%)d0.00(0.09%)	1.194178971	-	-0.119766190
38	BD(1)H10(C9) 10s(99.98%)p0.00(0.02%)	0.797094173	-	0.048232849
39	BD(1)C9(H11) 9s(22.99%)p3.35(76.92%)d0.00(0.09%)	1.198279423	-	-0.120302530
40	BD(1)H11(C9) 11s(99.98%)p0.00(0.02%)	0.794000311	-	0.049248300
41	BD(1)C9(H12) 9s(23.25%)p3.30(76.67%)d0.00(0.08%)	1.192759649	-	-0.117134967
42	BD(1)H12(C9) 12s(99.98%)p0.00(0.02%)	0.802617842	-	0.047649494
43	BD(1)C19(C20) 19s(36.27%)p1.75(63.59%)d0.00(0.14%)	0.983160775	-	-0.122685413
44	BD(1)C20(C19) 20s(28.69%)p2.48(71.18%)d0.00(0.13%)	1.018757837	-	-0.129063818
45	BD(1)C19(H27) 19s(30.98%)p2.22(68.90%)d0.00(0.12%)	1.210172246	-	-0.150362626
46	BD(1)H27(C19) 27s(99.95%)p0.00(0.05%)	0.788225076	-	0.065093774
47	BD(1)C19(H28) 19s(30.80%)p2.24(69.07%)d0.00(0.13%)	1.209042901	-	-0.145910383
48	BD(1)H28(C19) 28s(99.96%)p0.00(0.04%)	0.785636197	-	0.067565891
49	BD(1)C19(Br29) 19s(2.00%)p48.89(97.79%)d0.10(0.21%)	0.681181186	-	-0.137880589
50	BD(1)Br29(C19) 29s(6.92%)p13.44(93.02%)d0.01(0.06%)	1.578207245	-	-0.273789229
51	BD(1)C20(C21) 20s(28.48%)p2.51(71.44%)d0.00(0.08%)	1.023297454	-	-0.118187794
52	BD(1)C21(C20) 21s(29.33%)p2.41(70.60%)d0.00(0.07%)	0.973718449	-	-0.097094623
53	BD(1)C20(H25) 20s(21.20%)p3.71(78.69%)d0.01(0.11%)	1.211719062	-	-0.131412705
54	BD(1)H25(C20) 25s(99.97%)p0.00(0.03%)	0.753529377	-	0.054943784
55	BD(1)C20(H26) 20s(21.77%)p3.59(78.12%)d0.00(0.11%)	1.202914871	-	-0.130672949
56	BD(1)H26(C20) 26s(99.97%)p0.00(0.03%)	0.782375130	-	0.042384228
57	BD(1)C21(H22) 21s(23.37%)p3.28(76.54%)d0.00(0.09%)	1.196580900	-	-0.125600670
58	BD(1)H22(C21) 22s(99.98%)p0.00(0.02%)	0.796647525	-	0.042933901
59	BD(1)C21(H23) 21s(23.81%)p3.20(76.09%)d0.00(0.09%)	1.203105421	-	-0.128457698
60	BD(1)H23(C21) 23s(99.97%)p0.00(0.03%)	0.796055463	-	0.047408615
61	BD(1)C21(H24) 21s(23.50%)p3.25(76.40%)d0.00(0.10%)	1.195379761	-	-0.127638087
62	BD(1)H24(C21) 24s(99.98%)p0.00(0.02%)	0.801469683	-	0.042793443
63	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999304933	-	-10.007244969
64	CR(1)C2 s(100.00%)	1.998971064	-	-10.007872460
65	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999059798	-	-10.001704527
66	CR(1)C4 s(100.00%)p0.00(0.00%)	1.999153513	-	-10.000055759
67	CR(1)C5 s(100.00%)p0.00(0.00%)	1.999059505	-	-10.001712842
68	CR(1)C6 s(100.00%)	1.998971287	-	-10.007863751
69	CR(1)C7 s(100.00%)p0.00(0.00%)	1.998776488	-	-10.053717946
70	CR(1)O8 s(100.00%)p0.00(0.00%)	1.999789198	-	-18.827862158
71	CR(1)C9 s(100.00%)p0.00(0.00%)	1.999305606	-	-10.007270469
72	CR(1)C19 s(100.00%)p0.00(0.00%)	1.999363245	-	-10.101190296
73	CR(1)C20 s(100.00%)p0.00(0.00%)	1.999179568	-	-10.027523853
74	CR(1)C21 s(100.00%)p0.00(0.00%)	1.999371467	-	-10.015442715
75	CR(1)Br29 s(100.00%)	1.999999999	-	-480.943372740
76	CR(2)Br29 s(100.00%)	1.999999967	-	-61.531909141
77	CR(3)Br29 s(100.00%)	1.999981608	-	-11.116193376
78	CR(4)Br29 s(0.00%)p1.00(100.00%)	1.999994697	-	-39.706466502
79	CR(5)Br29 s(0.00%)p1.00(100.00%)	1.999992050	-	-22.964796077
80	CR(6)Br29 s(0.00%)p1.00(100.00%)	1.999997918	-	-39.705441514
81	CR(7)Br29 s(0.00%)p1.00(100.00%)	1.999996981	-	-22.963711899
82	CR(8)Br29 s(0.00%)p1.00(100.00%)	1.999997713	-	-39.705650420
83	CR(9)Br29 s(0.00%)p1.00(100.00%)	1.999996634	-	-22.963938221
84	CR(10)Br29 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999961062	-	-2.560759262
85	CR(11)Br29 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999950887	-	-2.561053621
86	CR(12)Br29 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999965056	-	-2.559635420
87	CR(13)Br29 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999971185	-	-2.560770503
88	CR(14)Br29 s(0.00%)p0.00(0.00%)d1.00(100.00%)	1.999980182	-	-2.560225619
89	LP(1)C4 s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.087029796	-	-0.095202920
90	LP(1)O8 s(61.75%)p0.62(38.20%)d0.00(0.05%)	1.959529522	-	-0.654941245
91	LP(2)O8 s(0.01%)p99.99(99.81%)d15.12(0.18%)	1.931427091	-	-0.225109224
92	LP(1)Br29 s(91.51%)p0.09(8.49%)d0.00(0.00%)	1.999086371	-	-0.832742312
93	LP(2)Br29 s(1.38%)p71.69(98.62%)d0.00(0.00%)	1.998130981	-	-0.268472159
94	LP(3)Br29 s(0.19%)p99.99(99.80%)d0.01(0.00%)	1.995182088	-	-0.260145808
95	RY*(1)C1 s(0.40%)p99.99(97.00%)d6.55(2.61%)	0.004464045	-	0.737818023
96	RY*(2)C1 s(28.51%)p1.96(55.75%)d0.55(15.74%)	0.001158577	-	1.139137695
97	RY*(3)C1 s(12.52%)p5.27(66.00%)d1.72(21.48%)	0.000936523	-	1.042027083
98	RY*(4)C1 s(18.53%)p1.70(31.46%)d2.70(50.00%)	0.000458860	-	1.344191271
99	RY*(5)C1 s(3.32%)p18.32(60.90%)d10.76(35.77%)	0.000257250	-	0.814367763
100	RY*(6)C1 s(5.30%)p5.70(30.22%)d12.16(64.47%)	0.000208513	-	1.083491666
101	RY*(7)C1 s(4.75%)p8.05(38.27%)d11.99(56.98%)	0.000171932	-	1.721421780
102	RY*(8)C1 s(9.66%)p6.71(64.79%)d2.64(25.55%)	0.000122970	-	1.437603208
103	RY*(9)C1 s(3.90%)p4.97(19.39%)d19.65(76.71%)	0.000069954	-	1.237411373
104	RY*(10)C1 s(3.39%)p11.49(38.91%)d17.04(57.70%)	0.000041729	-	1.657042593
105	RY*(11)C1 s(26.59%)p1.76(46.66%)d1.01(26.75%)	0.000039702	-	1.189909563
106	RY*(12)C1 s(19.19%)p2.82(54.08%)d1.39(26.72%)	0.000019638	-	1.156227276
107	RY*(13)C1 s(97.50%)p0.01(1.37%)d0.01(1.13%)	0.000000701	-	22.259062735
108	RY*(14)C1 s(2.70%)p0.52(1.41%)d35.55(95.90%)	0.000002035	-	3.445180797
109	RY*(15)C1 s(1.71%)p33.31(57.06%)d24.07(41.23%)	0.000007764	-	1.825542641
110	RY*(16)C1 s(0.14%)p31.00(4.40%)d99.99(95.46%)	0.000001876	-	3.356978057
111	RY*(17)C1 s(0.25%)p99.99(95.08%)d18.66(4.67%)	0.000003997	-	2.596786225
112	RY*(18)C1 s(2.01%)p7.81(15.70%)d40.94(82.29%)	0.000006086	-	3.303538848
113	RY*(19)C1 s(55.33%)p0.19(10.59%)d0.62(34.08%)	0.000007854	-	1.108090109
114	RY*(20)C1 s(3.96%)p3.25(12.86%)d21.02(83.18%)	0.000001927	-	2.711094262
115	RY*(21)C1 s(0.10%)p99.99(96.89%)d29.31(3.01%)	0.000001423	-	3.068559765
116	RY*(22)C1 s(0.22%)p7.03(1.56%)d99.99(98.22%)	0.000001023	-	3.412778646
117	RY*(1)C2 s(2.11%)p41.67(87.97%)d4.70(9.91%)	0.005659669	-	1.413749702
118	RY*(2)C2 s(0.65%)p99.99(92.89%)d9.93(6.46%)	0.003652642	-	1.129395192
119	RY*(3)C2 s(0.56%)p99.99(94.63%)d8.67(4.81%)	0.002759623	-	0.709382446
120	RY*(4)C2 s(36.69%)p0.24(8.79%)d1.49(54.52%)	0.000931905	-	1.905180390
121	RY*(5)C2 s(50.60%)p0.41(20.67%)d0.57(28.73%)	0.000712711	-	1.316386045
122	RY*(6)C2 s(2.61%)p15.46(40.32%)d21.88(57.07%)	0.000469288	-	3.092260223
123	RY*(7)C2 s(0.05%)p49.95(2.47%)d99.99(97.48%)	0.000406813	-	2.907036969
124	RY*(8)C2 s(4.07%)p16.24(66.13%)d7.32(29.80%)	0.000273949	-	1.858909764
125	RY*(9)C2 s(0.32%)p47.58(15.37%)d99.99(84.31%)	0.000231120	-	2.269123566
126	RY*(10)C2 s(11.14%)p2.37(26.36%)d5.61(62.50%)	0.000133799	-	1.778213494
127	RY*(11)C2 s(17.83%)p0.45(8.01%)d4.16(74.15%)	0.000107584	-	1.867803364
128	RY*(12)C2 s(0.84%)p28.50(24.07%)d88.88(75.08%)	0.000106374	-	2.348541884
129	RY*(13)C2 s(23.44%)p2.01(47.15%)d1.26(29.41%)	0.000073721	-	4.124984620
130	RY*(14)C2 s(1.24%)p35.07(43.41%)d44.72(55.35%)	0.000057621	-	1.923807946
131	RY*(15)C2 s(10.12%)p4.42(44.70%)d4.46(45.18%)	0.000054021	-	2.860044521
132	RY*(16)C2 s(14.09%)p1.31(18.40%)d4.79(67.52%)	0.000035185	-	2.785569778
133	RY*(17)C2 s(9.04%)p6.01(54.35%)d4.05(36.61%)	0.000006722	-	1.505058907
134	RY*(18)C2 s(3.00%)p30.25(90.82%)d2.06(6.18%)	0.000003532	-	2.981441225
135	RY*(19)C2 s(3.22%)p23.23(74.85%)d6.81(21.92%)	0.000004114	-	2.663356047
136	RY*(20)C2 s(12.84%)p2.25(28.89%)d4.54(58.27%)	0.000009953	-	2.026376713
137	RY*(21)C2 s(93.38%)p0.04(3.72%)d0.03(2.90%)	0.000004048	-	18.976697457
138	RY*(22)C2 s(2.28%)p2.70(6.16%)d40.21(91.57%)	0.000002940	-	3.355231659
139	RY*(1)C3 s(0.26%)p99.99(90.38%)d35.63(9.36%)	0.006321491	-	1.358002840
140	RY*(2)C3 s(2.43%)p39.30(95.60%)d0.81(1.97%)	0.002447143	-	1.061272778
141	RY*(3)C3 s(0.13%)p99.99(85.70%)d99.99(14.17%)	0.000950476	-	0.471050472
142	RY*(4)C3 s(49.98%)p0.20(9.91%)d0.80(40.11%)	0.000778627	-	2.040080171
143	RY*(5)C3 s(11.54%)p3.05(35.17%)d4.62(53.29%)	0.000661325	-	1.544054481
144	RY*(6)C3 s(3.90%)p1.27(4.96%)d23.36(91.14%)	0.000589983	-	2.588097877
145	RY*(7)C3 s(14.67%)p1.90(27.92%)d3.91(57.41%)	0.000308527	-	2.230092735
146	RY*(8)C3 s(3.65%)p6.81(24.85%)d19.61(71.51%)	0.000170572	-	2.236777855
147	RY*(9)C3 s(30.92%)p1.31(40.58%)d0.92(28.50%)	0.000136351	-	1.727060870
148	RY*(10)C3 s(14.47%)p4.76(68.79%)d1.16(16.75%)	0.000085281	-	1.877144002
149	RY*(11)C3 s(1.56%)p12.12(18.91%)d50.97(79.53%)	0.000083802	-	1.804895613
150	RY*(12)C3 s(6.77%)p4.45(30.14%)d9.32(63.09%)	0.000044198	-	1.236951414
151	RY*(13)C3 s(42.14%)p0.71(29.72%)d0.67(28.14%)	0.000040029	-	1.428380620
152	RY*(14)C3 s(3.65%)p7.51(27.44%)d18.87(68.91%)	0.000027654	-	3.379462300
153	RY*(15)C3 s(7.12%)p10.50(74.72%)d2.55(18.16%)	0.000009769	-	2.756705793
154	RY*(16)C3 s(2.45%)p5.31(12.99%)d34.58(84.57%)	0.000002956	-	3.428664608
155	RY*(17)C3 s(1.89%)p29.41(55.54%)d22.54(42.57%)	0.000001735	-	2.453253098
156	RY*(18)C3 s(90.49%)p0.04(3.79%)d0.06(5.72%)	0.000005155	-	19.279685669
157	RY*(19)C3 s(1.84%)p45.51(83.93%)d7.72(14.23%)	0.000006812	-	2.900243348
158	RY*(20)C3 s(0.73%)p91.81(67.30%)d43.61(31.97%)	0.000002405	-	0.920598226
159	RY*(21)C3 s(5.59%)p1.00(5.62%)d15.89(88.80%)	0.000003259	-	3.285703403
160	RY*(22)C3 s(3.94%)p1.59(6.24%)d22.80(89.82%)	0.000001728	-	3.178647447
161	RY*(1)C4 s(0.61%)p99.99(89.33%)d16.56(10.06%)	0.006655633	-	1.257830176
162	RY*(2)C4 s(0.00%)p1.00(99.76%)d0.00(0.24%)	0.002421750	-	1.254261029
163	RY*(3)C4 s(0.03%)p99.99(85.37%)d99.99(14.60%)	0.002025671	-	0.442448706
164	RY*(4)C4 s(0.00%)p1.00(48.49%)d1.06(51.51%)	0.000541541	-	1.396518173
165	RY*(5)C4 s(79.85%)p0.08(6.57%)d0.17(13.59%)	0.000465140	-	2.118549540
166	RY*(6)C4 s(0.00%)p1.00(0.01%)d99.99(99.99%)	0.000335767	-	3.280923228
167	RY*(7)C4 s(28.41%)p0.26(7.40%)d2.26(64.19%)	0.000226640	-	1.840499809
168	RY*(8)C4 s(28.60%)p0.31(8.83%)d2.19(62.57%)	0.000099726	-	1.835137415
169	RY*(9)C4 s(0.02%)p99.99(90.70%)d99.99(9.28%)	0.000083148	-	2.468075862
170	RY*(10)C4 s(22.72%)p0.47(10.75%)d2.93(66.53%)	0.000063953	-	1.862214148
171	RY*(11)C4 s(1.14%)p46.79(53.34%)d39.92(45.52%)	0.000058568	-	1.894439329
172	RY*(12)C4 s(6.46%)p9.23(59.57%)d5.26(33.98%)	0.000029829	-	2.602222139
173	RY*(13)C4 s(0.29%)p27.90(7.96%)d99.99(91.75%)	0.000035126	-	3.312330314
174	RY*(14)C4 s(1.49%)p62.66(93.14%)d3.62(5.38%)	0.000006099	-	2.469282705
175	RY*(15)C4 s(0.01%)p1.00(99.97%)d0.00(0.03%)	0.000001914	-	0.491162364
176	RY*(16)C4 s(7.53%)p1.28(9.64%)d11.00(82.83%)	0.000004242	-	2.928822475
177	RY*(17)C4 s(0.81%)p99.99(96.27%)d3.61(2.92%)	0.000003767	-	2.617868588
178	RY*(18)C4 s(13.83%)p0.16(2.20%)d6.07(83.97%)	0.000002117	-	2.995902569
179	RY*(19)C4 s(3.97%)p2.94(11.67%)d21.26(84.36%)	0.000009154	-	1.507556086
180	RY*(20)C4 s(9.26%)p1.41(13.07%)d8.39(77.67%)	0.000003765	-	2.139871807
181	RY*(21)C4 s(94.45%)p0.05(4.74%)d0.01(0.80%)	0.000000727	-	20.038489632
182	RY*(22)C4 s(0.65%)p2.17(1.40%)d99.99(97.95%)	0.000001572	-	1.653400187
183	RY*(1)C5 s(0.27%)p99.99(90.34%)d34.96(9.39%)	0.006318370	-	1.356986347
184	RY*(2)C5 s(2.41%)p39.63(95.61%)d0.82(1.98%)	0.002448189	-	1.060951326
185	RY*(3)C5 s(0.08%)p99.99(85.88%)d99.99(14.04%)	0.000949749	-	0.472386763
186	RY*(4)C5 s(49.88%)p0.20(10.13%)d0.80(39.98%)	0.000774838	-	2.053299619
187	RY*(5)C5 s(11.72%)p3.03(35.52%)d4.50(52.76%)	0.000658457	-	1.537532946
188	RY*(6)C5 s(3.50%)p1.25(4.39%)d26.31(92.11%)	0.000589535	-	2.592969856
189	RY*(7)C5 s(14.90%)p1.87(27.92%)d3.84(57.17%)	0.000307441	-	2.237503071
190	RY*(8)C5 s(4.24%)p5.98(25.34%)d16.61(70.42%)	0.000170902	-	2.238145298
191	RY*(9)C5 s(29.72%)p1.33(39.40%)d1.04(30.88%)	0.000133371	-	1.762533773
192	RY*(10)C5 s(1.26%)p14.34(18.08%)d63.97(80.65%)	0.000084037	-	1.726229215
193	RY*(11)C5 s(14.37%)p4.87(69.91%)d1.09(15.72%)	0.000083105	-	1.864451201
194	RY*(12)C5 s(10.41%)p2.19(22.80%)d6.42(66.79%)	0.000036535	-	1.559775457
195	RY*(13)C5 s(38.76%)p0.90(35.05%)d0.68(26.19%)	0.000043128	-	1.278405676
196	RY*(14)C5 s(4.02%)p6.74(27.10%)d17.13(68.88%)	0.000027650	-	3.246961702
197	RY*(15)C5 s(90.03%)p0.09(7.90%)d0.02(2.07%)	0.000005246	-	19.379183703
198	RY*(16)C5 s(4.99%)p1.16(5.79%)d17.86(89.21%)	0.000004103	-	3.404456838
199	RY*(17)C5 s(1.98%)p34.68(68.66%)d14.83(29.36%)	0.000001844	-	1.138843907
200	RY*(18)C5 s(2.04%)p12.98(26.51%)d34.99(71.45%)	0.000006022	-	3.268563490
201	RY*(19)C5 s(0.00%)p1.00(95.67%)d0.05(4.33%)	0.000000684	-	2.838406686
202	RY*(20)C5 s(2.79%)p6.77(18.93%)d28.02(78.28%)	0.000002534	-	2.884000879
203	RY*(21)C5 s(6.43%)p8.22(52.89%)d6.32(40.68%)	0.000006208	-	2.468287431
204	RY*(22)C5 s(6.29%)p5.78(36.35%)d9.12(57.36%)	0.000007003	-	2.811737666
205	RY*(1)C6 s(2.15%)p40.96(87.87%)d4.66(9.99%)	0.005663856	-	1.414418321
206	RY*(2)C6 s(0.70%)p99.99(92.82%)d9.32(6.48%)	0.003630309	-	1.140110192
207	RY*(3)C6 s(0.46%)p99.99(94.67%)d10.48(4.87%)	0.002756970	-	0.699975096
208	RY*(4)C6 s(35.62%)p0.25(8.93%)d1.56(55.45%)	0.000936284	-	1.923329995
209	RY*(5)C6 s(51.74%)p0.36(18.53%)d0.57(29.73%)	0.000726150	-	1.309220426
210	RY*(6)C6 s(2.44%)p17.09(41.78%)d22.81(55.77%)	0.000475030	-	3.063367909
211	RY*(7)C6 s(0.05%)p38.95(2.05%)d99.99(97.89%)	0.000405725	-	2.908608834
212	RY*(8)C6 s(3.43%)p19.74(67.67%)d8.43(28.90%)	0.000280372	-	1.835438582
213	RY*(9)C6 s(0.28%)p56.03(15.56%)d99.99(84.16%)	0.000230860	-	2.284735234
214	RY*(10)C6 s(5.44%)p3.85(20.92%)d13.54(73.64%)	0.000124873	-	1.802210243
215	RY*(11)C6 s(3.98%)p6.91(27.52%)d17.20(68.50%)	0.000099799	-	2.212196081
216	RY*(12)C6 s(18.86%)p0.37(6.89%)d3.94(74.26%)	0.000107109	-	1.999824665
217	RY*(13)C6 s(24.80%)p1.86(46.23%)d1.17(28.98%)	0.000074143	-	4.076138347
218	RY*(14)C6 s(7.27%)p5.98(43.48%)d6.78(49.26%)	0.000060868	-	2.090037807
219	RY*(15)C6 s(2.84%)p4.60(13.06%)d29.60(84.10%)	0.000040063	-	2.771109388
220	RY*(16)C6 s(16.07%)p3.14(50.53%)d2.08(33.40%)	0.000040554	-	2.792186205
221	RY*(17)C6 s(0.16%)p99.99(85.38%)d90.53(14.46%)	0.000002612	-	2.228600790
222	RY*(18)C6 s(0.22%)p99.99(91.10%)d38.89(8.68%)	0.000003844	-	2.415015975
223	RY*(19)C6 s(1.51%)p19.76(29.80%)d45.54(68.69%)	0.000004066	-	1.873293524
224	RY*(20)C6 s(1.14%)p20.08(22.97%)d66.35(75.89%)	0.000006200	-	2.826645348
225	RY*(21)C6 s(95.46%)p0.03(2.85%)d0.02(1.69%)	0.000004138	-	19.555959907
226	RY*(22)C6 s(25.51%)p1.16(29.52%)d1.76(44.97%)	0.000011631	-	2.573348433
227	RY*(1)C7 s(9.39%)p9.34(87.68%)d0.31(2.93%)	0.013397806	-	1.143627214
228	RY*(2)C7 s(3.09%)p11.13(34.36%)d20.27(62.55%)	0.004496402	-	1.837821093
229	RY*(3)C7 s(0.00%)p1.00(98.40%)d0.02(1.60%)	0.003629881	-	1.547527259
230	RY*(4)C7 s(0.02%)p99.99(15.87%)d99.99(84.11%)	0.001652267	-	2.764067188
231	RY*(5)C7 s(27.11%)p0.39(10.45%)d2.30(62.44%)	0.001226645	-	2.433168982
232	RY*(6)C7 s(4.76%)p15.84(75.46%)d4.15(19.77%)	0.001012500	-	1.088545335
233	RY*(7)C7 s(37.52%)p0.45(16.79%)d1.22(45.68%)	0.000689168	-	1.545105611
234	RY*(8)C7 s(0.02%)p99.99(36.34%)d99.99(63.64%)	0.000379685	-	2.178102007
235	RY*(9)C7 s(1.32%)p2.67(3.52%)d72.11(95.16%)	0.000271202	-	2.836916327
236	RY*(10)C7 s(9.98%)p1.94(19.40%)d7.07(70.62%)	0.000271208	-	2.217400516
237	RY*(11)C7 s(2.51%)p17.04(42.70%)d21.86(54.79%)	0.000189919	-	2.565631680
238	RY*(12)C7 s(0.37%)p99.99(74.75%)d66.35(24.88%)	0.000174848	-	2.392407062
239	RY*(13)C7 s(7.80%)p7.08(55.21%)d4.74(36.99%)	0.000112317	-	1.651010068
240	RY*(14)C7 s(5.38%)p5.96(32.08%)d11.63(62.54%)	0.000058840	-	2.620296012
241	RY*(15)C7 s(0.34%)p26.36(8.88%)d99.99(90.79%)	0.000064108	-	1.899117113
242	RY*(16)C7 s(80.05%)p0.05(3.78%)d0.20(16.16%)	0.000025436	-	1.719203269
243	RY*(17)C7 s(2.83%)p28.05(79.43%)d6.26(17.73%)	0.000008576	-	2.110719415
244	RY*(18)C7 s(0.06%)p99.99(68.43%)d99.99(31.51%)	0.000005956	-	2.131292355
245	RY*(19)C7 s(0.88%)p24.88(21.89%)d87.81(77.23%)	0.000008769	-	3.351903476
246	RY*(20)C7 s(7.10%)p2.68(19.02%)d10.41(73.88%)	0.000007455	-	2.812976814
247	RY*(21)C7 s(97.64%)p0.01(1.30%)d0.01(1.06%)	0.000004505	-	19.535384775
248	RY*(22)C7 s(2.00%)p47.22(94.39%)d1.81(3.61%)	0.000004876	-	2.776990296
249	RY*(1)O8 s(1.06%)p92.35(98.03%)d0.86(0.91%)	0.003925464	-	0.714796444
250	RY*(2)O8 s(21.38%)p3.62(77.44%)d0.06(1.18%)	0.003586825	-	0.603589254
251	RY*(3)O8 s(2.39%)p40.45(96.78%)d0.35(0.83%)	0.001841102	-	0.824559708
252	RY*(4)O8 s(65.62%)p0.50(32.58%)d0.03(1.79%)	0.000954487	-	1.589557547
253	RY*(5)O8 s(4.19%)p16.60(69.48%)d6.29(26.33%)	0.000184102	-	1.715242965
254	RY*(6)O8 s(0.43%)p99.99(51.28%)d99.99(48.29%)	0.000123267	-	1.873959674
255	RY*(7)O8 s(2.31%)p11.75(27.14%)d30.55(70.55%)	0.000078796	-	2.618636528
256	RY*(8)O8 s(2.95%)p18.27(53.86%)d14.65(43.19%)	0.000070125	-	2.412900600
257	RY*(9)O8 s(14.93%)p2.92(43.65%)d2.77(41.42%)	0.000037805	-	1.903185540
258	RY*(10)O8 s(1.21%)p6.27(7.56%)d75.69(91.24%)	0.000046786	-	2.127606971
259	RY*(11)O8 s(1.96%)p13.64(26.79%)d36.29(71.25%)	0.000044245	-	1.930841591
260	RY*(12)O8 s(4.55%)p16.69(75.97%)d4.28(19.48%)	0.000022195	-	4.824373529
261	RY*(13)O8 s(26.60%)p0.96(25.45%)d1.80(47.95%)	0.000025084	-	2.934962367
262	RY*(14)O8 s(2.49%)p1.47(3.65%)d37.70(93.86%)	0.000004613	-	6.264823097
263	RY*(15)O8 s(0.73%)p99.99(96.51%)d3.79(2.76%)	0.000002276	-	5.028038408
264	RY*(16)O8 s(3.63%)p1.98(7.17%)d24.61(89.20%)	0.000002918	-	6.355385854
265	RY*(17)O8 s(40.12%)p0.15(6.03%)d1.34(53.85%)	0.000002237	-	2.080536242
266	RY*(18)O8 s(1.45%)p1.62(2.36%)d66.16(96.19%)	0.000001439	-	6.615956465
267	RY*(19)O8 s(99.58%)p0.00(0.23%)d0.00(0.19%)	0.000000058	-	49.331301397
268	RY*(20)O8 s(0.83%)p2.83(2.36%)d99.99(96.81%)	0.000001474	-	6.604489002
269	RY*(21)O8 s(0.82%)p99.99(94.54%)d5.62(4.64%)	0.000006205	-	5.119866574
270	RY*(22)O8 s(0.75%)p2.43(1.83%)d99.99(97.41%)	0.000001221	-	6.297706421
271	RY*(1)C9 s(0.43%)p99.99(96.87%)d6.25(2.70%)	0.004403257	-	0.739827805
272	RY*(2)C9 s(30.40%)p1.80(54.62%)d0.49(14.99%)	0.001158633	-	1.146660868
273	RY*(3)C9 s(11.02%)p6.06(66.78%)d2.01(22.20%)	0.000936621	-	1.043195251
274	RY*(4)C9 s(15.91%)p1.96(31.15%)d3.33(52.94%)	0.000442968	-	1.383402725
275	RY*(5)C9 s(7.69%)p5.68(43.66%)d6.33(48.65%)	0.000267673	-	1.072370759
276	RY*(6)C9 s(1.51%)p28.55(43.03%)d36.81(55.47%)	0.000213892	-	0.808236647
277	RY*(7)C9 s(3.85%)p9.59(36.92%)d15.39(59.23%)	0.000169354	-	1.840167673
278	RY*(8)C9 s(23.22%)p2.78(64.60%)d0.52(12.18%)	0.000075200	-	1.762886391
279	RY*(9)C9 s(1.80%)p10.51(18.97%)d43.91(79.23%)	0.000069701	-	1.231042453
280	RY*(10)C9 s(0.92%)p38.86(35.73%)d68.91(63.35%)	0.000040241	-	1.682805611
281	RY*(11)C9 s(2.58%)p36.00(92.89%)d1.75(4.52%)	0.000020450	-	0.770878336
282	RY*(12)C9 s(10.34%)p3.17(32.81%)d5.50(56.85%)	0.000013304	-	1.577276069
283	RY*(13)C9 s(59.93%)p0.21(12.57%)d0.46(27.50%)	0.000015928	-	1.101847457
284	RY*(14)C9 s(6.99%)p1.42(9.94%)d11.89(83.07%)	0.000002425	-	2.904278528
285	RY*(15)C9 s(4.07%)p8.00(32.54%)d15.59(63.39%)	0.000011466	-	1.857892452
286	RY*(16)C9 s(0.79%)p2.38(1.88%)d99.99(97.33%)	0.000000781	-	3.329601349
287	RY*(17)C9 s(0.62%)p99.99(94.45%)d7.94(4.93%)	0.000001590	-	3.026580546
288	RY*(18)C9 s(11.10%)p0.63(7.01%)d7.38(81.89%)	0.000003691	-	3.211444411
289	RY*(19)C9 s(97.66%)p0.01(1.18%)d0.01(1.16%)	0.000000534	-	22.555693090
290	RY*(20)C9 s(6.74%)p1.90(12.79%)d11.95(80.47%)	0.000004859	-	2.827200974
291	RY*(21)C9 s(0.73%)p99.99(94.99%)d5.82(4.27%)	0.000003874	-	2.830002074
292	RY*(22)C9 s(1.70%)p8.79(14.97%)d48.95(83.33%)	0.000001778	-	2.855770074
293	RY*(1)H10 s(99.73%)p0.00(0.27%)	0.001209440	-	0.708975963
294	RY*(2)H10 s(48.34%)p1.07(51.66%)	0.000148500	-	2.134601711
295	RY*(3)H10 s(16.18%)p5.18(83.82%)	0.000138708	-	2.092906235
296	RY*(4)H10 s(29.18%)p2.43(70.82%)	0.000084829	-	2.107233982
297	RY*(5)H10 s(6.59%)p14.19(93.41%)	0.000044999	-	2.917388699
298	RY*(1)H11 s(99.66%)p0.00(0.34%)	0.001217195	-	0.762334770
299	RY*(2)H11 s(58.08%)p0.72(41.92%)	0.000146050	-	2.123944388
300	RY*(3)H11 s(0.79%)p99.99(99.21%)	0.000139094	-	2.104073232
301	RY*(4)H11 s(41.31%)p1.42(58.69%)	0.000075173	-	2.080847486
302	RY*(5)H11 s(0.18%)p99.99(99.82%)	0.000046534	-	2.838428954
303	RY*(1)H12 s(96.79%)p0.03(3.21%)	0.000889361	-	0.920106610
304	RY*(2)H12 s(73.70%)p0.36(26.30%)	0.000101969	-	2.205086389
305	RY*(3)H12 s(0.88%)p99.99(99.12%)	0.000081877	-	2.070512199
306	RY*(4)H12 s(11.74%)p7.52(88.26%)	0.000086540	-	2.207052602
307	RY*(5)H12 s(16.91%)p4.91(83.09%)	0.000028553	-	2.442676721
308	RY*(1)H13 s(99.83%)p0.00(0.17%)	0.000918623	-	1.313139899
309	RY*(2)H13 s(0.07%)p99.99(99.93%)	0.000188378	-	1.955864476
310	RY*(3)H13 s(87.47%)p0.14(12.53%)	0.000158267	-	2.082965795
311	RY*(4)H13 s(12.00%)p7.33(88.00%)	0.000042971	-	2.622891672
312	RY*(5)H13 s(0.66%)p99.99(99.34%)	0.000044255	-	2.633039168
313	RY*(1)H14 s(99.58%)p0.00(0.42%)	0.000803127	-	1.128945542
314	RY*(2)H14 s(0.05%)p99.99(99.95%)	0.000222890	-	1.940775400
315	RY*(3)H14 s(92.51%)p0.08(7.49%)	0.000171814	-	2.150648709
316	RY*(4)H14 s(4.30%)p22.25(95.70%)	0.000042620	-	2.656202396
317	RY*(5)H14 s(3.60%)p26.74(96.40%)	0.000043799	-	2.641469508
318	RY*(1)H15 s(99.83%)p0.00(0.17%)	0.000918198	-	1.312046223
319	RY*(2)H15 s(0.02%)p99.99(99.98%)	0.000188539	-	1.955778917
320	RY*(3)H15 s(87.38%)p0.14(12.62%)	0.000157998	-	2.086208251
321	RY*(4)H15 s(0.45%)p99.99(99.55%)	0.000044549	-	2.632261426
322	RY*(5)H15 s(12.36%)p7.09(87.64%)	0.000042292	-	2.621049336
323	RY*(1)H16 s(99.59%)p0.00(0.41%)	0.001195568	-	0.764283249
324	RY*(2)H16 s(57.78%)p0.73(42.22%)	0.000145676	-	2.123603588
325	RY*(3)H16 s(0.28%)p99.99(99.72%)	0.000139078	-	2.111236693
326	RY*(4)H16 s(42.15%)p1.37(57.85%)	0.000075178	-	2.077288364
327	RY*(5)H16 s(0.22%)p99.99(99.78%)	0.000047466	-	2.837786534
328	RY*(1)H17 s(99.75%)p0.00(0.25%)	0.001296368	-	0.719123686
329	RY*(2)H17 s(61.60%)p0.62(38.40%)	0.000152396	-	2.135605748
330	RY*(3)H17 s(2.50%)p39.07(97.50%)	0.000134364	-	2.091064898
331	RY*(4)H17 s(29.31%)p2.41(70.69%)	0.000084322	-	2.103384187
332	RY*(5)H17 s(6.86%)p13.57(93.14%)	0.000044949	-	2.919021538
333	RY*(1)H18 s(96.84%)p0.03(3.16%)	0.000884803	-	0.924072030
334	RY*(2)H18 s(73.10%)p0.37(26.90%)	0.000101024	-	2.218740194
335	RY*(3)H18 s(3.19%)p30.31(96.81%)	0.000080850	-	2.000802197
336	RY*(4)H18 s(9.29%)p9.76(90.71%)	0.000087801	-	2.273286152
337	RY*(5)H18 s(17.60%)p4.68(82.40%)	0.000028907	-	2.433985879
338	RY*(1)C19 s(0.17%)p99.99(93.17%)d39.90(6.66%)	0.004178313	-	0.758431235
339	RY*(2)C19 s(14.72%)p5.52(81.22%)d0.28(4.05%)	0.003615439	-	0.829380595
340	RY*(3)C19 s(4.30%)p19.49(83.82%)d2.76(11.88%)	0.002362508	-	0.616795705
341	RY*(4)C19 s(20.44%)p1.78(36.39%)d2.11(43.16%)	0.001526551	-	0.915081999
342	RY*(5)C19 s(15.99%)p0.75(12.05%)d4.50(71.96%)	0.000757830	-	0.920587796
343	RY*(6)C19 s(43.99%)p0.32(14.09%)d0.95(41.92%)	0.000715983	-	0.933086642
344	RY*(7)C19 s(34.52%)p1.20(41.36%)d0.70(24.12%)	0.000401947	-	1.084315157
345	RY*(8)C19 s(10.75%)p1.38(14.82%)d6.92(74.43%)	0.000320619	-	1.084790986
346	RY*(9)C19 s(11.71%)p5.07(59.41%)d2.47(28.88%)	0.000246717	-	0.789863947
347	RY*(10)C19 s(6.12%)p11.76(71.99%)d3.58(21.89%)	0.000157008	-	1.100754214
348	RY*(11)C19 s(8.03%)p5.18(41.57%)d6.28(50.41%)	0.000109390	-	1.127470643
349	RY*(12)C19 s(6.82%)p4.70(32.09%)d8.95(61.09%)	0.000059201	-	1.077060701
350	RY*(13)C19 s(5.68%)p5.23(29.70%)d11.39(64.62%)	0.000038813	-	2.377741176
351	RY*(14)C19 s(1.64%)p27.37(44.90%)d32.60(53.46%)	0.000025167	-	2.702639577
352	RY*(15)C19 s(95.90%)p0.02(2.33%)d0.02(1.77%)	0.000000484	-	22.576829390
353	RY*(16)C19 s(0.92%)p3.66(3.35%)d99.99(95.73%)	0.000002742	-	3.362859774
354	RY*(17)C19 s(0.19%)p99.99(84.41%)d79.04(15.40%)	0.000002712	-	2.948291525
355	RY*(18)C19 s(2.55%)p1.23(3.14%)d36.99(94.31%)	0.000004477	-	3.061917048
356	RY*(19)C19 s(8.50%)p8.87(75.40%)d1.89(16.10%)	0.000008846	-	3.257984268
357	RY*(20)C19 s(1.17%)p57.20(67.01%)d27.16(31.82%)	0.000003568	-	3.292276587
358	RY*(21)C19 s(1.95%)p2.72(5.31%)d47.45(92.74%)	0.000006563	-	3.271858785
359	RY*(22)C19 s(3.88%)p0.80(3.11%)d23.97(93.01%)	0.000007602	-	3.133796424
360	RY*(1)C20 s(2.37%)p37.40(88.80%)d3.72(8.83%)	0.003982001	-	0.846211090
361	RY*(2)C20 s(2.91%)p30.05(87.34%)d3.36(9.75%)	0.002596220	-	0.837887130
362	RY*(3)C20 s(0.24%)p99.99(91.40%)d35.19(8.37%)	0.001282357	-	1.156640977
363	RY*(4)C20 s(32.11%)p1.66(53.29%)d0.45(14.59%)	0.000726970	-	1.035286408
364	RY*(5)C20 s(54.02%)p0.70(37.73%)d0.15(8.25%)	0.000520881	-	1.487457530
365	RY*(6)C20 s(5.85%)p9.57(55.97%)d6.53(38.18%)	0.000455903	-	1.339867720
366	RY*(7)C20 s(10.40%)p3.67(38.21%)d4.94(51.39%)	0.000295819	-	0.845721701
367	RY*(8)C20 s(35.82%)p0.57(20.37%)d1.22(43.81%)	0.000195373	-	1.801473948
368	RY*(9)C20 s(7.14%)p5.60(39.97%)d7.41(52.90%)	0.000149739	-	1.756378970
369	RY*(10)C20 s(10.20%)p1.83(18.68%)d6.97(71.12%)	0.000111434	-	1.922055946
370	RY*(11)C20 s(11.02%)p4.12(45.42%)d3.95(43.56%)	0.000075257	-	2.120063005
371	RY*(12)C20 s(1.33%)p17.29(22.93%)d57.13(75.75%)	0.000032598	-	1.859213445
372	RY*(13)C20 s(2.27%)p11.55(26.23%)d31.48(71.50%)	0.000010486	-	1.824237792
373	RY*(14)C20 s(0.55%)p8.63(4.75%)d99.99(94.70%)	0.000003836	-	2.928725372
374	RY*(15)C20 s(2.51%)p36.44(91.38%)d2.44(6.11%)	0.000004582	-	1.734083906
375	RY*(16)C20 s(1.93%)p3.01(5.81%)d47.84(92.27%)	0.000002994	-	3.149356011
376	RY*(17)C20 s(4.42%)p7.56(33.39%)d14.08(62.19%)	0.000012508	-	2.007145425
377	RY*(18)C20 s(3.86%)p4.05(15.61%)d20.89(80.53%)	0.000005427	-	2.658865826
378	RY*(19)C20 s(10.73%)p2.26(24.28%)d6.06(64.99%)	0.000011154	-	1.828728177
379	RY*(20)C20 s(0.48%)p99.99(85.79%)d28.41(13.72%)	0.000005315	-	3.051729037
380	RY*(21)C20 s(98.66%)p0.01(0.94%)d0.00(0.40%)	0.000000238	-	22.832207136
381	RY*(22)C20 s(1.07%)p11.51(12.28%)d81.22(86.66%)	0.000004191	-	2.783868125
382	RY*(1)C21 s(8.83%)p9.94(87.80%)d0.38(3.36%)	0.003074309	-	0.748534424
383	RY*(2)C21 s(2.81%)p29.59(83.17%)d4.99(14.02%)	0.000873994	-	0.938246220
384	RY*(3)C21 s(38.39%)p1.09(41.86%)d0.51(19.75%)	0.000513789	-	1.648134004
385	RY*(4)C21 s(15.32%)p4.84(74.16%)d0.69(10.52%)	0.000273052	-	0.671110202
386	RY*(5)C21 s(3.34%)p16.49(55.06%)d12.46(41.60%)	0.000195420	-	0.893183683
387	RY*(6)C21 s(2.45%)p25.71(62.87%)d14.18(34.69%)	0.000164722	-	1.033072104
388	RY*(7)C21 s(13.32%)p2.29(30.52%)d4.22(56.16%)	0.000082763	-	0.817426241
389	RY*(8)C21 s(4.42%)p9.69(42.82%)d11.94(52.76%)	0.000063103	-	0.943418427
390	RY*(9)C21 s(39.51%)p0.47(18.76%)d1.06(41.73%)	0.000027469	-	1.249034878
391	RY*(10)C21 s(2.77%)p19.75(54.71%)d15.35(42.52%)	0.000025723	-	1.150764688
392	RY*(11)C21 s(20.19%)p0.83(16.82%)d3.12(62.99%)	0.000005287	-	1.564639237
393	RY*(12)C21 s(3.90%)p23.75(92.51%)d0.92(3.60%)	0.000002679	-	2.991461485
394	RY*(13)C21 s(99.50%)p0.00(0.42%)d0.00(0.08%)	0.000000070	-	23.191870021
395	RY*(14)C21 s(2.17%)p7.08(15.35%)d38.04(82.48%)	0.000002570	-	3.048824355
396	RY*(15)C21 s(14.68%)p1.53(22.49%)d4.28(62.84%)	0.000002755	-	1.413125036
397	RY*(16)C21 s(4.10%)p0.79(3.24%)d22.61(92.66%)	0.000001992	-	2.717445535
398	RY*(17)C21 s(16.54%)p4.70(77.70%)d0.35(5.75%)	0.000004500	-	1.912244750
399	RY*(18)C21 s(2.30%)p5.17(11.89%)d37.28(85.81%)	0.000003026	-	2.904381653
400	RY*(19)C21 s(3.05%)p30.69(93.66%)d1.08(3.29%)	0.000001891	-	3.106025701
401	RY*(20)C21 s(0.12%)p87.09(10.60%)d99.99(89.28%)	0.000001259	-	3.150510925
402	RY*(21)C21 s(0.20%)p9.55(1.94%)d99.99(97.86%)	0.000002299	-	1.713221137
403	RY*(22)C21 s(2.07%)p0.98(2.02%)d46.40(95.91%)	0.000002287	-	2.585770263
404	RY*(1)H22 s(91.40%)p0.09(8.60%)	0.000475798	-	0.878241034
405	RY*(2)H22 s(43.81%)p1.28(56.19%)	0.000131001	-	2.045507281
406	RY*(3)H22 s(0.83%)p99.99(99.17%)	0.000102138	-	1.954087559
407	RY*(4)H22 s(56.74%)p0.76(43.26%)	0.000060703	-	2.152913356
408	RY*(5)H22 s(7.23%)p12.82(92.77%)	0.000014292	-	2.622909771
409	RY*(1)H23 s(96.98%)p0.03(3.02%)	0.000779110	-	0.817179484
410	RY*(2)H23 s(64.84%)p0.54(35.16%)	0.000140792	-	1.994309878
411	RY*(3)H23 s(5.71%)p16.53(94.29%)	0.000109190	-	2.050051193
412	RY*(4)H23 s(29.07%)p2.44(70.93%)	0.000082444	-	2.047130633
413	RY*(5)H23 s(3.42%)p28.20(96.58%)	0.000038669	-	2.806811114
414	RY*(1)H24 s(98.38%)p0.02(1.62%)	0.000971709	-	0.783908608
415	RY*(2)H24 s(38.52%)p1.60(61.48%)	0.000152119	-	2.006974274
416	RY*(3)H24 s(1.21%)p81.84(98.79%)	0.000105251	-	1.980570930
417	RY*(4)H24 s(59.08%)p0.69(40.92%)	0.000066429	-	2.115442821
418	RY*(5)H24 s(2.83%)p34.28(97.17%)	0.000046307	-	2.837608085
419	RY*(1)H25 s(98.43%)p0.02(1.57%)	0.001513343	-	1.091531285
420	RY*(2)H25 s(80.86%)p0.24(19.14%)	0.000164158	-	2.016815922
421	RY*(3)H25 s(4.13%)p23.20(95.87%)	0.000118508	-	2.175848143
422	RY*(4)H25 s(10.92%)p8.16(89.08%)	0.000093546	-	2.147344819
423	RY*(5)H25 s(5.69%)p16.57(94.31%)	0.000052227	-	2.660565718
424	RY*(1)H26 s(97.70%)p0.02(2.30%)	0.001281835	-	0.803262586
425	RY*(2)H26 s(61.48%)p0.63(38.52%)	0.000138033	-	2.062164657
426	RY*(3)H26 s(0.87%)p99.99(99.13%)	0.000118807	-	2.159859706
427	RY*(4)H26 s(37.13%)p1.69(62.87%)	0.000085195	-	2.155231713
428	RY*(5)H26 s(2.85%)p34.10(97.15%)	0.000042641	-	2.900973723
429	RY*(1)H27 s(98.48%)p0.02(1.52%)	0.001387146	-	0.990344445
430	RY*(2)H27 s(81.61%)p0.23(18.39%)	0.000261462	-	2.096864838
431	RY*(3)H27 s(14.82%)p5.75(85.18%)	0.000211795	-	2.061084154
432	RY*(4)H27 s(3.93%)p24.45(96.07%)	0.000086422	-	2.276613321
433	RY*(5)H27 s(1.20%)p82.46(98.80%)	0.000053954	-	2.868134484
434	RY*(1)H28 s(96.01%)p0.04(3.99%)	0.001068354	-	1.068897391
435	RY*(2)H28 s(87.73%)p0.14(12.27%)	0.000302085	-	2.091619679
436	RY*(3)H28 s(13.11%)p6.63(86.89%)	0.000199025	-	2.030419410
437	RY*(4)H28 s(2.21%)p44.15(97.79%)	0.000076521	-	2.242273310
438	RY*(5)H28 s(0.98%)p99.99(99.02%)	0.000045473	-	2.868489271
439	RY*(1)Br29 s(30.98%)p1.23(38.24%)d0.99(30.77%)	0.001664513	-	0.408621078
440	RY*(2)Br29 s(12.30%)p1.15(14.13%)d5.98(73.57%)	0.000479238	-	0.505021045
441	RY*(3)Br29 s(18.06%)p0.90(16.19%)d3.64(65.75%)	0.000387192	-	0.447830427
442	RY*(4)Br29 s(14.89%)p2.65(39.51%)d3.06(45.60%)	0.000344139	-	0.416699485
443	RY*(5)Br29 s(8.37%)p1.04(8.72%)d9.91(82.92%)	0.000239923	-	0.560589789
444	RY*(6)Br29 s(14.48%)p3.22(46.61%)d2.69(38.91%)	0.000060759	-	0.883329267
445	RY*(7)Br29 s(1.70%)p53.10(90.15%)d4.80(8.15%)	0.000029307	-	0.944978267
446	RY*(8)Br29 s(11.44%)p6.64(75.97%)d1.10(12.58%)	0.000030302	-	1.151301803
447	RY*(9)Br29 s(3.85%)p10.79(41.59%)d14.16(54.55%)	0.000022747	-	0.553561863
448	RY*(10)Br29 s(9.23%)p6.08(56.10%)d3.76(34.67%)	0.000016182	-	0.525422948
449	RY*(11)Br29 s(2.58%)p32.77(84.62%)d4.95(12.79%)	0.000025487	-	0.935194177
450	RY*(12)Br29 s(100.00%)p0.00(0.00%)d0.00(0.00%)	0.000000000	-	957.230396819
451	RY*(13)Br29 s(0.14%)p99.99(97.43%)d17.06(2.43%)	0.000000615	-	3.009313269
452	RY*(14)Br29 s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.000000050	-	11.054219674
453	RY*(15)Br29 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	-	285.067053247
454	RY*(16)Br29 s(0.38%)p99.99(46.43%)d99.99(53.20%)	0.000004734	-	0.368144105
455	RY*(17)Br29 s(67.47%)p0.45(30.29%)d0.03(2.23%)	0.000002671	-	0.680046952
456	RY*(18)Br29 s(0.05%)p99.99(97.13%)d51.26(2.81%)	0.000000904	-	3.239191222
457	RY*(19)Br29 s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.000000058	-	11.069981373
458	RY*(20)Br29 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	-	285.072242971
459	RY*(21)Br29 s(97.89%)p0.02(2.01%)d0.00(0.10%)	0.000000185	-	14.718726399
460	RY*(22)Br29 s(0.77%)p3.17(2.43%)d99.99(96.80%)	0.000000714	-	2.070563625
461	RY*(23)Br29 s(0.01%)p1.00(0.14%)d99.99(99.85%)	0.000000026	-	6.018404161
462	RY*(24)Br29 s(2.43%)p38.34(93.24%)d1.78(4.32%)	0.000001701	-	2.959193496
463	RY*(25)Br29 s(1.38%)p2.97(4.10%)d68.58(94.52%)	0.000000619	-	2.101384182
464	RY*(26)Br29 s(0.00%)p1.00(0.15%)d99.99(99.85%)	0.000000038	-	6.034149770
465	RY*(27)Br29 s(0.01%)p1.00(99.96%)d0.00(0.03%)	0.000000071	-	11.120120442
466	RY*(28)Br29 s(0.40%)p10.59(4.28%)d99.99(95.31%)	0.000000600	-	2.035653971
467	RY*(29)Br29 s(0.01%)p1.00(0.08%)d99.99(99.91%)	0.000000031	-	6.035619731
468	RY*(30)Br29 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	-	285.076894384
469	RY*(31)Br29 s(1.00%)p5.59(5.58%)d93.46(93.42%)	0.000001400	-	1.979707534
470	RY*(32)Br29 s(0.01%)p1.00(0.12%)d99.99(99.87%)	0.000000034	-	6.046884354
471	RY*(33)Br29 s(99.97%)p0.00(0.02%)d0.00(0.01%)	0.000000014	-	102.829088559
472	RY*(34)Br29 s(0.19%)p26.03(4.83%)d99.99(94.99%)	0.000000872	-	1.954366566
473	RY*(35)Br29 s(0.00%)p1.00(0.06%)d99.99(99.93%)	0.000000019	-	6.038381021

Natural Bond Orbitals

					Show all
Orbital	Description	NHOs	Occupancy	Spin	Energy ()	Actions
1	BD(1)C1-C2	1, 2	1.982232409	-	-0.603457979
2	BD(1)C1-H16	3, 4	1.979915641	-	-0.480880758
3	BD(1)C1-H17	5, 6	1.979266127	-	-0.482548891
4	BD(1)C1-H18	7, 8	1.989506966	-	-0.485081809
5	BD(1)C2-C3	9, 10	1.973904242	-	-0.672915809
6	BD(2)C2-C3	11, 12	1.718119008	-	-0.230443382
7	BD(1)C2-C7	13, 14	1.971107846	-	-0.642778914
8	BD(1)C3-C4	15, 16	1.976399628	-	-0.671033442
9	BD(1)C3-H15	17, 18	1.979158168	-	-0.493134540
10	BD(1)C4-C5	19, 20	1.976383169	-	-0.670940072
11	BD(1)C4-H14	21, 22	1.979978299	-	-0.494451077
12	BD(1)C5-C6	23, 24	1.973927787	-	-0.673028281
13	BD(2)C5-C6	25, 26	1.718394494	-	-0.230463569
14	BD(1)C5-H13	27, 28	1.979162537	-	-0.493142306
15	BD(1)C6-C7	29, 30	1.970949377	-	-0.642518472
16	BD(1)C6-C9	31, 32	1.982224772	-	-0.603393434
17	BD(1)C7-O8	33, 34	1.991173487	-	-0.898800450
18	BD(2)C7-O8	35, 36	1.857052268	-	-0.304250720
19	BD(1)C9-H10	37, 38	1.979261167	-	-0.482476788
20	BD(1)C9-H11	39, 40	1.980076812	-	-0.480859421
21	BD(1)C9-H12	41, 42	1.989520303	-	-0.485067922
22	BD(1)C19-C20	43, 44	1.991708637	-	-0.665199277
23	BD(1)C19-H27	45, 46	1.986446505	-	-0.545183068
24	BD(1)C19-H28	47, 48	1.985294453	-	-0.543754660
25	BD(1)C19-Br29	49, 50	1.985335323	-	-0.357048788
26	BD(1)C20-C21	51, 52	1.988852905	-	-0.603623279
27	BD(1)C20-H25	53, 54	1.944712397	-	-0.478478306
28	BD(1)C20-H26	55, 56	1.968181276	-	-0.486122247
29	BD(1)C21-H22	57, 58	1.988660790	-	-0.490944177
30	BD(1)C21-H23	59, 60	1.989796634	-	-0.491003999
31	BD(1)C21-H24	61, 62	1.988946673	-	-0.491120381
32	CR(1)C1	63	1.999304933	-	-10.007244969
33	CR(1)C2	64	1.998971064	-	-10.007872460
34	CR(1)C3	65	1.999059798	-	-10.001704527
35	CR(1)C4	66	1.999153513	-	-10.000055759
36	CR(1)C5	67	1.999059505	-	-10.001712842
37	CR(1)C6	68	1.998971287	-	-10.007863751
38	CR(1)C7	69	1.998776488	-	-10.053717946
39	CR(1)O8	70	1.999789198	-	-18.827862158
40	CR(1)C9	71	1.999305606	-	-10.007270469
41	CR(1)C19	72	1.999363245	-	-10.101190296
42	CR(1)C20	73	1.999179568	-	-10.027523853
43	CR(1)C21	74	1.999371467	-	-10.015442715
44	CR(1)Br29	75	1.999999999	-	-480.943372740
45	CR(2)Br29	76	1.999999967	-	-61.531909141
46	CR(3)Br29	77	1.999981608	-	-11.116193376
47	CR(4)Br29	78	1.999994697	-	-39.706466502
48	CR(5)Br29	79	1.999992050	-	-22.964796077
49	CR(6)Br29	80	1.999997918	-	-39.705441514
50	CR(7)Br29	81	1.999996981	-	-22.963711899
51	CR(8)Br29	82	1.999997713	-	-39.705650420
52	CR(9)Br29	83	1.999996634	-	-22.963938221
53	CR(10)Br29	84	1.999961062	-	-2.560759262
54	CR(11)Br29	85	1.999950887	-	-2.561053621
55	CR(12)Br29	86	1.999965056	-	-2.559635420
56	CR(13)Br29	87	1.999971185	-	-2.560770503
57	CR(14)Br29	88	1.999980182	-	-2.560225619
58	LP(1)C4	89	1.087029796	-	-0.095202920
59	LP(1)O8	90	1.959529521	-	-0.654941245
60	LP(2)O8	91	1.931427091	-	-0.225109224
61	LP(1)Br29	92	1.999086370	-	-0.832742311
62	LP(2)Br29	93	1.998130981	-	-0.268472159
63	LP(3)Br29	94	1.995182088	-	-0.260145808
64	RY*(1)C1	95	0.004464045	-	0.737818023
65	RY*(2)C1	96	0.001158577	-	1.139137695
66	RY*(3)C1	97	0.000936523	-	1.042027083
67	RY*(4)C1	98	0.000458860	-	1.344191271
68	RY*(5)C1	99	0.000257250	-	0.814367763
69	RY*(6)C1	100	0.000208513	-	1.083491666
70	RY*(7)C1	101	0.000171932	-	1.721421780
71	RY*(8)C1	102	0.000122970	-	1.437603208
72	RY*(9)C1	103	0.000069954	-	1.237411373
73	RY*(10)C1	104	0.000041729	-	1.657042593
74	RY*(11)C1	105	0.000039702	-	1.189909563
75	RY*(12)C1	106	0.000019638	-	1.156227276
76	RY*(13)C1	107	0.000000701	-	22.259062735
77	RY*(14)C1	108	0.000002035	-	3.445180797
78	RY*(15)C1	109	0.000007764	-	1.825542641
79	RY*(16)C1	110	0.000001876	-	3.356978057
80	RY*(17)C1	111	0.000003997	-	2.596786225
81	RY*(18)C1	112	0.000006086	-	3.303538848
82	RY*(19)C1	113	0.000007854	-	1.108090109
83	RY*(20)C1	114	0.000001927	-	2.711094262
84	RY*(21)C1	115	0.000001423	-	3.068559765
85	RY*(22)C1	116	0.000001023	-	3.412778646
86	RY*(1)C2	117	0.005659669	-	1.413749702
87	RY*(2)C2	118	0.003652642	-	1.129395192
88	RY*(3)C2	119	0.002759623	-	0.709382446
89	RY*(4)C2	120	0.000931905	-	1.905180390
90	RY*(5)C2	121	0.000712711	-	1.316386045
91	RY*(6)C2	122	0.000469288	-	3.092260223
92	RY*(7)C2	123	0.000406813	-	2.907036969
93	RY*(8)C2	124	0.000273949	-	1.858909764
94	RY*(9)C2	125	0.000231120	-	2.269123566
95	RY*(10)C2	126	0.000133799	-	1.778213494
96	RY*(11)C2	127	0.000107584	-	1.867803364
97	RY*(12)C2	128	0.000106374	-	2.348541884
98	RY*(13)C2	129	0.000073721	-	4.124984620
99	RY*(14)C2	130	0.000057621	-	1.923807946
100	RY*(15)C2	131	0.000054021	-	2.860044521
101	RY*(16)C2	132	0.000035185	-	2.785569778
102	RY*(17)C2	133	0.000006722	-	1.505058907
103	RY*(18)C2	134	0.000003532	-	2.981441225
104	RY*(19)C2	135	0.000004114	-	2.663356047
105	RY*(20)C2	136	0.000009953	-	2.026376713
106	RY*(21)C2	137	0.000004048	-	18.976697457
107	RY*(22)C2	138	0.000002940	-	3.355231659
108	RY*(1)C3	139	0.006321491	-	1.358002840
109	RY*(2)C3	140	0.002447143	-	1.061272778
110	RY*(3)C3	141	0.000950476	-	0.471050472
111	RY*(4)C3	142	0.000778627	-	2.040080171
112	RY*(5)C3	143	0.000661325	-	1.544054481
113	RY*(6)C3	144	0.000589983	-	2.588097877
114	RY*(7)C3	145	0.000308527	-	2.230092735
115	RY*(8)C3	146	0.000170572	-	2.236777855
116	RY*(9)C3	147	0.000136351	-	1.727060870
117	RY*(10)C3	148	0.000085281	-	1.877144002
118	RY*(11)C3	149	0.000083802	-	1.804895613
119	RY*(12)C3	150	0.000044198	-	1.236951414
120	RY*(13)C3	151	0.000040029	-	1.428380620
121	RY*(14)C3	152	0.000027654	-	3.379462300
122	RY*(15)C3	153	0.000009769	-	2.756705793
123	RY*(16)C3	154	0.000002956	-	3.428664608
124	RY*(17)C3	155	0.000001735	-	2.453253098
125	RY*(18)C3	156	0.000005155	-	19.279685669
126	RY*(19)C3	157	0.000006812	-	2.900243348
127	RY*(20)C3	158	0.000002405	-	0.920598226
128	RY*(21)C3	159	0.000003259	-	3.285703403
129	RY*(22)C3	160	0.000001728	-	3.178647447
130	RY*(1)C4	161	0.006655633	-	1.257830176
131	RY*(2)C4	162	0.002421750	-	1.254261029
132	RY*(3)C4	163	0.002025671	-	0.442448706
133	RY*(4)C4	164	0.000541541	-	1.396518173
134	RY*(5)C4	165	0.000465140	-	2.118549540
135	RY*(6)C4	166	0.000335767	-	3.280923228
136	RY*(7)C4	167	0.000226640	-	1.840499809
137	RY*(8)C4	168	0.000099726	-	1.835137415
138	RY*(9)C4	169	0.000083148	-	2.468075862
139	RY*(10)C4	170	0.000063953	-	1.862214148
140	RY*(11)C4	171	0.000058568	-	1.894439329
141	RY*(12)C4	172	0.000029829	-	2.602222139
142	RY*(13)C4	173	0.000035126	-	3.312330314
143	RY*(14)C4	174	0.000006099	-	2.469282705
144	RY*(15)C4	175	0.000001914	-	0.491162364
145	RY*(16)C4	176	0.000004242	-	2.928822475
146	RY*(17)C4	177	0.000003767	-	2.617868588
147	RY*(18)C4	178	0.000002117	-	2.995902569
148	RY*(19)C4	179	0.000009154	-	1.507556086
149	RY*(20)C4	180	0.000003765	-	2.139871807
150	RY*(21)C4	181	0.000000727	-	20.038489632
151	RY*(22)C4	182	0.000001572	-	1.653400187
152	RY*(1)C5	183	0.006318370	-	1.356986347
153	RY*(2)C5	184	0.002448189	-	1.060951326
154	RY*(3)C5	185	0.000949749	-	0.472386763
155	RY*(4)C5	186	0.000774838	-	2.053299619
156	RY*(5)C5	187	0.000658457	-	1.537532946
157	RY*(6)C5	188	0.000589535	-	2.592969856
158	RY*(7)C5	189	0.000307441	-	2.237503071
159	RY*(8)C5	190	0.000170902	-	2.238145298
160	RY*(9)C5	191	0.000133371	-	1.762533773
161	RY*(10)C5	192	0.000084037	-	1.726229215
162	RY*(11)C5	193	0.000083105	-	1.864451201
163	RY*(12)C5	194	0.000036535	-	1.559775457
164	RY*(13)C5	195	0.000043128	-	1.278405676
165	RY*(14)C5	196	0.000027650	-	3.246961702
166	RY*(15)C5	197	0.000005246	-	19.379183703
167	RY*(16)C5	198	0.000004103	-	3.404456838
168	RY*(17)C5	199	0.000001844	-	1.138843907
169	RY*(18)C5	200	0.000006022	-	3.268563490
170	RY*(19)C5	201	0.000000684	-	2.838406686
171	RY*(20)C5	202	0.000002534	-	2.884000879
172	RY*(21)C5	203	0.000006208	-	2.468287431
173	RY*(22)C5	204	0.000007003	-	2.811737666
174	RY*(1)C6	205	0.005663856	-	1.414418321
175	RY*(2)C6	206	0.003630309	-	1.140110192
176	RY*(3)C6	207	0.002756970	-	0.699975096
177	RY*(4)C6	208	0.000936284	-	1.923329995
178	RY*(5)C6	209	0.000726150	-	1.309220426
179	RY*(6)C6	210	0.000475030	-	3.063367909
180	RY*(7)C6	211	0.000405725	-	2.908608834
181	RY*(8)C6	212	0.000280372	-	1.835438582
182	RY*(9)C6	213	0.000230860	-	2.284735234
183	RY*(10)C6	214	0.000124873	-	1.802210243
184	RY*(11)C6	215	0.000099799	-	2.212196081
185	RY*(12)C6	216	0.000107109	-	1.999824665
186	RY*(13)C6	217	0.000074143	-	4.076138347
187	RY*(14)C6	218	0.000060868	-	2.090037807
188	RY*(15)C6	219	0.000040063	-	2.771109388
189	RY*(16)C6	220	0.000040554	-	2.792186205
190	RY*(17)C6	221	0.000002612	-	2.228600790
191	RY*(18)C6	222	0.000003844	-	2.415015975
192	RY*(19)C6	223	0.000004066	-	1.873293524
193	RY*(20)C6	224	0.000006200	-	2.826645348
194	RY*(21)C6	225	0.000004138	-	19.555959907
195	RY*(22)C6	226	0.000011631	-	2.573348433
196	RY*(1)C7	227	0.013397806	-	1.143627214
197	RY*(2)C7	228	0.004496402	-	1.837821093
198	RY*(3)C7	229	0.003629881	-	1.547527259
199	RY*(4)C7	230	0.001652267	-	2.764067188
200	RY*(5)C7	231	0.001226645	-	2.433168982
201	RY*(6)C7	232	0.001012500	-	1.088545335
202	RY*(7)C7	233	0.000689168	-	1.545105611
203	RY*(8)C7	234	0.000379685	-	2.178102007
204	RY*(9)C7	235	0.000271202	-	2.836916327
205	RY*(10)C7	236	0.000271208	-	2.217400516
206	RY*(11)C7	237	0.000189919	-	2.565631680
207	RY*(12)C7	238	0.000174848	-	2.392407062
208	RY*(13)C7	239	0.000112317	-	1.651010068
209	RY*(14)C7	240	0.000058840	-	2.620296012
210	RY*(15)C7	241	0.000064108	-	1.899117113
211	RY*(16)C7	242	0.000025437	-	1.719203269
212	RY*(17)C7	243	0.000008576	-	2.110719415
213	RY*(18)C7	244	0.000005956	-	2.131292355
214	RY*(19)C7	245	0.000008769	-	3.351903476
215	RY*(20)C7	246	0.000007455	-	2.812976814
216	RY*(21)C7	247	0.000004505	-	19.535384775
217	RY*(22)C7	248	0.000004876	-	2.776990296
218	RY*(1)O8	249	0.003925464	-	0.714796444
219	RY*(2)O8	250	0.003586825	-	0.603589254
220	RY*(3)O8	251	0.001841102	-	0.824559708
221	RY*(4)O8	252	0.000954487	-	1.589557547
222	RY*(5)O8	253	0.000184102	-	1.715242965
223	RY*(6)O8	254	0.000123267	-	1.873959674
224	RY*(7)O8	255	0.000078796	-	2.618636528
225	RY*(8)O8	256	0.000070125	-	2.412900600
226	RY*(9)O8	257	0.000037805	-	1.903185540
227	RY*(10)O8	258	0.000046786	-	2.127606971
228	RY*(11)O8	259	0.000044245	-	1.930841591
229	RY*(12)O8	260	0.000022195	-	4.824373529
230	RY*(13)O8	261	0.000025084	-	2.934962367
231	RY*(14)O8	262	0.000004613	-	6.264823097
232	RY*(15)O8	263	0.000002276	-	5.028038408
233	RY*(16)O8	264	0.000002918	-	6.355385854
234	RY*(17)O8	265	0.000002237	-	2.080536242
235	RY*(18)O8	266	0.000001439	-	6.615956465
236	RY*(19)O8	267	0.000000058	-	49.331301397
237	RY*(20)O8	268	0.000001474	-	6.604489002
238	RY*(21)O8	269	0.000006205	-	5.119866574
239	RY*(22)O8	270	0.000001221	-	6.297706421
240	RY*(1)C9	271	0.004403257	-	0.739827805
241	RY*(2)C9	272	0.001158633	-	1.146660868
242	RY*(3)C9	273	0.000936621	-	1.043195251
243	RY*(4)C9	274	0.000442968	-	1.383402725
244	RY*(5)C9	275	0.000267673	-	1.072370759
245	RY*(6)C9	276	0.000213892	-	0.808236647
246	RY*(7)C9	277	0.000169354	-	1.840167673
247	RY*(8)C9	278	0.000075200	-	1.762886391
248	RY*(9)C9	279	0.000069701	-	1.231042453
249	RY*(10)C9	280	0.000040241	-	1.682805611
250	RY*(11)C9	281	0.000020450	-	0.770878336
251	RY*(12)C9	282	0.000013304	-	1.577276069
252	RY*(13)C9	283	0.000015928	-	1.101847457
253	RY*(14)C9	284	0.000002425	-	2.904278528
254	RY*(15)C9	285	0.000011466	-	1.857892452
255	RY*(16)C9	286	0.000000781	-	3.329601349
256	RY*(17)C9	287	0.000001590	-	3.026580546
257	RY*(18)C9	288	0.000003691	-	3.211444411
258	RY*(19)C9	289	0.000000534	-	22.555693090
259	RY*(20)C9	290	0.000004859	-	2.827200974
260	RY*(21)C9	291	0.000003874	-	2.830002074
261	RY*(22)C9	292	0.000001778	-	2.855770074
262	RY*(1)H10	293	0.001209440	-	0.708975963
263	RY*(2)H10	294	0.000148500	-	2.134601711
264	RY*(3)H10	295	0.000138708	-	2.092906235
265	RY*(4)H10	296	0.000084829	-	2.107233982
266	RY*(5)H10	297	0.000044999	-	2.917388699
267	RY*(1)H11	298	0.001217195	-	0.762334770
268	RY*(2)H11	299	0.000146050	-	2.123944388
269	RY*(3)H11	300	0.000139094	-	2.104073232
270	RY*(4)H11	301	0.000075173	-	2.080847486
271	RY*(5)H11	302	0.000046534	-	2.838428954
272	RY*(1)H12	303	0.000889361	-	0.920106610
273	RY*(2)H12	304	0.000101969	-	2.205086389
274	RY*(3)H12	305	0.000081877	-	2.070512199
275	RY*(4)H12	306	0.000086540	-	2.207052602
276	RY*(5)H12	307	0.000028553	-	2.442676721
277	RY*(1)H13	308	0.000918623	-	1.313139899
278	RY*(2)H13	309	0.000188378	-	1.955864476
279	RY*(3)H13	310	0.000158267	-	2.082965795
280	RY*(4)H13	311	0.000042971	-	2.622891672
281	RY*(5)H13	312	0.000044255	-	2.633039168
282	RY*(1)H14	313	0.000803127	-	1.128945542
283	RY*(2)H14	314	0.000222890	-	1.940775400
284	RY*(3)H14	315	0.000171814	-	2.150648709
285	RY*(4)H14	316	0.000042620	-	2.656202396
286	RY*(5)H14	317	0.000043799	-	2.641469508
287	RY*(1)H15	318	0.000918198	-	1.312046223
288	RY*(2)H15	319	0.000188539	-	1.955778917
289	RY*(3)H15	320	0.000157998	-	2.086208251
290	RY*(4)H15	321	0.000044549	-	2.632261426
291	RY*(5)H15	322	0.000042292	-	2.621049336
292	RY*(1)H16	323	0.001195568	-	0.764283249
293	RY*(2)H16	324	0.000145676	-	2.123603588
294	RY*(3)H16	325	0.000139078	-	2.111236693
295	RY*(4)H16	326	0.000075178	-	2.077288364
296	RY*(5)H16	327	0.000047466	-	2.837786534
297	RY*(1)H17	328	0.001296368	-	0.719123686
298	RY*(2)H17	329	0.000152396	-	2.135605748
299	RY*(3)H17	330	0.000134364	-	2.091064898
300	RY*(4)H17	331	0.000084322	-	2.103384187
301	RY*(5)H17	332	0.000044949	-	2.919021538
302	RY*(1)H18	333	0.000884803	-	0.924072030
303	RY*(2)H18	334	0.000101024	-	2.218740194
304	RY*(3)H18	335	0.000080850	-	2.000802197
305	RY*(4)H18	336	0.000087801	-	2.273286152
306	RY*(5)H18	337	0.000028907	-	2.433985879
307	RY*(1)C19	338	0.004178313	-	0.758431235
308	RY*(2)C19	339	0.003615439	-	0.829380595
309	RY*(3)C19	340	0.002362508	-	0.616795705
310	RY*(4)C19	341	0.001526551	-	0.915081999
311	RY*(5)C19	342	0.000757830	-	0.920587796
312	RY*(6)C19	343	0.000715983	-	0.933086642
313	RY*(7)C19	344	0.000401947	-	1.084315157
314	RY*(8)C19	345	0.000320619	-	1.084790986
315	RY*(9)C19	346	0.000246717	-	0.789863947
316	RY*(10)C19	347	0.000157008	-	1.100754214
317	RY*(11)C19	348	0.000109390	-	1.127470643
318	RY*(12)C19	349	0.000059201	-	1.077060701
319	RY*(13)C19	350	0.000038813	-	2.377741176
320	RY*(14)C19	351	0.000025167	-	2.702639577
321	RY*(15)C19	352	0.000000484	-	22.576829390
322	RY*(16)C19	353	0.000002742	-	3.362859774
323	RY*(17)C19	354	0.000002712	-	2.948291525
324	RY*(18)C19	355	0.000004477	-	3.061917048
325	RY*(19)C19	356	0.000008846	-	3.257984268
326	RY*(20)C19	357	0.000003568	-	3.292276587
327	RY*(21)C19	358	0.000006563	-	3.271858785
328	RY*(22)C19	359	0.000007602	-	3.133796424
329	RY*(1)C20	360	0.003982001	-	0.846211090
330	RY*(2)C20	361	0.002596220	-	0.837887130
331	RY*(3)C20	362	0.001282357	-	1.156640977
332	RY*(4)C20	363	0.000726970	-	1.035286408
333	RY*(5)C20	364	0.000520881	-	1.487457530
334	RY*(6)C20	365	0.000455903	-	1.339867720
335	RY*(7)C20	366	0.000295819	-	0.845721701
336	RY*(8)C20	367	0.000195373	-	1.801473948
337	RY*(9)C20	368	0.000149739	-	1.756378970
338	RY*(10)C20	369	0.000111434	-	1.922055946
339	RY*(11)C20	370	0.000075257	-	2.120063005
340	RY*(12)C20	371	0.000032598	-	1.859213445
341	RY*(13)C20	372	0.000010486	-	1.824237792
342	RY*(14)C20	373	0.000003836	-	2.928725372
343	RY*(15)C20	374	0.000004582	-	1.734083906
344	RY*(16)C20	375	0.000002994	-	3.149356011
345	RY*(17)C20	376	0.000012508	-	2.007145425
346	RY*(18)C20	377	0.000005427	-	2.658865826
347	RY*(19)C20	378	0.000011154	-	1.828728177
348	RY*(20)C20	379	0.000005315	-	3.051729037
349	RY*(21)C20	380	0.000000238	-	22.832207136
350	RY*(22)C20	381	0.000004191	-	2.783868125
351	RY*(1)C21	382	0.003074309	-	0.748534424
352	RY*(2)C21	383	0.000873994	-	0.938246220
353	RY*(3)C21	384	0.000513789	-	1.648134004
354	RY*(4)C21	385	0.000273052	-	0.671110202
355	RY*(5)C21	386	0.000195420	-	0.893183683
356	RY*(6)C21	387	0.000164722	-	1.033072104
357	RY*(7)C21	388	0.000082763	-	0.817426241
358	RY*(8)C21	389	0.000063103	-	0.943418427
359	RY*(9)C21	390	0.000027469	-	1.249034878
360	RY*(10)C21	391	0.000025723	-	1.150764688
361	RY*(11)C21	392	0.000005287	-	1.564639237
362	RY*(12)C21	393	0.000002679	-	2.991461485
363	RY*(13)C21	394	0.000000070	-	23.191870021
364	RY*(14)C21	395	0.000002570	-	3.048824355
365	RY*(15)C21	396	0.000002755	-	1.413125036
366	RY*(16)C21	397	0.000001992	-	2.717445535
367	RY*(17)C21	398	0.000004500	-	1.912244750
368	RY*(18)C21	399	0.000003026	-	2.904381653
369	RY*(19)C21	400	0.000001891	-	3.106025701
370	RY*(20)C21	401	0.000001259	-	3.150510925
371	RY*(21)C21	402	0.000002299	-	1.713221137
372	RY*(22)C21	403	0.000002287	-	2.585770263
373	RY*(1)H22	404	0.000475798	-	0.878241034
374	RY*(2)H22	405	0.000131001	-	2.045507281
375	RY*(3)H22	406	0.000102138	-	1.954087559
376	RY*(4)H22	407	0.000060703	-	2.152913356
377	RY*(5)H22	408	0.000014292	-	2.622909771
378	RY*(1)H23	409	0.000779110	-	0.817179484
379	RY*(2)H23	410	0.000140792	-	1.994309878
380	RY*(3)H23	411	0.000109190	-	2.050051193
381	RY*(4)H23	412	0.000082444	-	2.047130633
382	RY*(5)H23	413	0.000038669	-	2.806811114
383	RY*(1)H24	414	0.000971709	-	0.783908608
384	RY*(2)H24	415	0.000152119	-	2.006974274
385	RY*(3)H24	416	0.000105251	-	1.980570930
386	RY*(4)H24	417	0.000066429	-	2.115442821
387	RY*(5)H24	418	0.000046307	-	2.837608085
388	RY*(1)H25	419	0.001513343	-	1.091531285
389	RY*(2)H25	420	0.000164158	-	2.016815922
390	RY*(3)H25	421	0.000118508	-	2.175848143
391	RY*(4)H25	422	0.000093546	-	2.147344819
392	RY*(5)H25	423	0.000052227	-	2.660565718
393	RY*(1)H26	424	0.001281835	-	0.803262586
394	RY*(2)H26	425	0.000138033	-	2.062164657
395	RY*(3)H26	426	0.000118807	-	2.159859706
396	RY*(4)H26	427	0.000085195	-	2.155231713
397	RY*(5)H26	428	0.000042641	-	2.900973723
398	RY*(1)H27	429	0.001387146	-	0.990344445
399	RY*(2)H27	430	0.000261462	-	2.096864838
400	RY*(3)H27	431	0.000211795	-	2.061084154
401	RY*(4)H27	432	0.000086422	-	2.276613321
402	RY*(5)H27	433	0.000053954	-	2.868134484
403	RY*(1)H28	434	0.001068354	-	1.068897391
404	RY*(2)H28	435	0.000302085	-	2.091619679
405	RY*(3)H28	436	0.000199025	-	2.030419410
406	RY*(4)H28	437	0.000076521	-	2.242273310
407	RY*(5)H28	438	0.000045473	-	2.868489271
408	RY*(1)Br29	439	0.001664513	-	0.408621078
409	RY*(2)Br29	440	0.000479238	-	0.505021045
410	RY*(3)Br29	441	0.000387192	-	0.447830427
411	RY*(4)Br29	442	0.000344139	-	0.416699485
412	RY*(5)Br29	443	0.000239923	-	0.560589789
413	RY*(6)Br29	444	0.000060759	-	0.883329267
414	RY*(7)Br29	445	0.000029307	-	0.944978267
415	RY*(8)Br29	446	0.000030302	-	1.151301803
416	RY*(9)Br29	447	0.000022747	-	0.553561863
417	RY*(10)Br29	448	0.000016182	-	0.525422948
418	RY*(11)Br29	449	0.000025487	-	0.935194177
419	RY*(12)Br29	450	0.000000000	-	957.230396819
420	RY*(13)Br29	451	0.000000615	-	3.009313269
421	RY*(14)Br29	452	0.000000050	-	11.054219674
422	RY*(15)Br29	453	0.000000000	-	285.067053247
423	RY*(16)Br29	454	0.000004734	-	0.368144105
424	RY*(17)Br29	455	0.000002671	-	0.680046952
425	RY*(18)Br29	456	0.000000904	-	3.239191222
426	RY*(19)Br29	457	0.000000058	-	11.069981373
427	RY*(20)Br29	458	0.000000000	-	285.072242971
428	RY*(21)Br29	459	0.000000185	-	14.718726399
429	RY*(22)Br29	460	0.000000714	-	2.070563625
430	RY*(23)Br29	461	0.000000026	-	6.018404161
431	RY*(24)Br29	462	0.000001701	-	2.959193496
432	RY*(25)Br29	463	0.000000619	-	2.101384182
433	RY*(26)Br29	464	0.000000038	-	6.034149770
434	RY*(27)Br29	465	0.000000071	-	11.120120442
435	RY*(28)Br29	466	0.000000600	-	2.035653971
436	RY*(29)Br29	467	0.000000031	-	6.035619731
437	RY*(30)Br29	468	0.000000000	-	285.076894384
438	RY*(31)Br29	469	0.000001400	-	1.979707534
439	RY*(32)Br29	470	0.000000034	-	6.046884354
440	RY*(33)Br29	471	0.000000014	-	102.829088559
441	RY*(34)Br29	472	0.000000872	-	1.954366566
442	RY*(35)Br29	473	0.000000019	-	6.038381021
443	BD*(1)C1-C2		0.016281520	-	0.438709963
444	BD*(1)C1-H16		0.012271533	-	0.409477998
445	BD*(1)C1-H17		0.012049102	-	0.411731284
446	BD*(1)C1-H18		0.005854773	-	0.415486352
447	BD*(1)C2-C3		0.021425171	-	0.609660500
448	BD*(2)C2-C3		0.369853536	-	0.055721288
449	BD*(1)C2-C7		0.048796715	-	0.565153881
450	BD*(1)C3-C4		0.016061765	-	0.594343510
451	BD*(1)C3-H15		0.015883505	-	0.452649832
452	BD*(1)C4-C5		0.016059630	-	0.594160632
453	BD*(1)C4-H14		0.013783900	-	0.453937211
454	BD*(1)C5-C6		0.021423582	-	0.609960621
455	BD*(2)C5-C6		0.369141773	-	0.055803550
456	BD*(1)C5-H13		0.015888619	-	0.452647577
457	BD*(1)C6-C7		0.048795172	-	0.565043155
458	BD*(1)C6-C9		0.016276618	-	0.438739990
459	BD*(1)C7-O8		0.021444347	-	0.494071848
460	BD*(2)C7-O8		0.667793319	-	0.015276780
461	BD*(1)C9-H10		0.012011976	-	0.410943447
462	BD*(1)C9-H11		0.012202923	-	0.409805191
463	BD*(1)C9-H12		0.005857188	-	0.415582448
464	BD*(1)C19-C20		0.010209974	-	0.413450046
465	BD*(1)C19-H27		0.011950817	-	0.459914216
466	BD*(1)C19-H28		0.009384644	-	0.465410168
467	BD*(1)C19-Br29		0.274053107	-	-0.054621029
468	BD*(1)C20-C21		0.008162997	-	0.388340862
469	BD*(1)C20-H25		0.020536043	-	0.402009384
470	BD*(1)C20-H26		0.017108725	-	0.397833526
471	BD*(1)C21-H22		0.004567634	-	0.408277409
472	BD*(1)C21-H23		0.009364250	-	0.409954915
473	BD*(1)C21-H24		0.007902771	-	0.406275737

Quote

I FIND THAT THE THREE TRULY GREAT TIMES FOR THINKING THOUGHTS ARE WHEN I AM STANDING IN THE SHOWER, SITTING ON THE JOHN, OR WALKING. -- COLIN FLETCHER