WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)
Method	B3LYP
Stoichiometry	C₁₄H₁₄N(1+)
Symmetry	C1
Basis	6-311+G(2d,p)
RB3LYP Energy	-596.613280056 Hartree
Dipole Moment	4.0469 Debye
Server	class (270281)
CPU time	1484.5 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	1.6720240	0.05577271727
b	0.2252055	0.00751204688
c	0.2210688	0.00737406142

Partial Charges

Atom	Symbol	Charge
1	C	-0.532164
2	C	0.778250
3	C	-0.230689
4	C	-0.177443
5	C	-0.016472
6	C	-0.166511
7	C	-0.250329
8	H	0.091919
9	H	0.110838
10	H	0.113480
11	H	0.112418
12	H	0.099121
13	N	0.099099
14	C	-0.483287
15	C	1.139554
16	C	-0.499867
17	C	-0.222006
18	C	0.036325
19	C	-0.163949
20	C	-0.166455
21	H	0.092806
22	H	0.125798
23	H	0.132547
24	H	0.127369
25	H	0.119967
26	H	0.147205
27	H	0.250560
28	H	0.158102
29	H	0.173816

Molecular Orbitals


Orbital	Symmetry	Occupancy	Spin	Energy ()	Actions
1	-	2	-	-14.55914
2	-	2	-	-10.42954
3	-	2	-	-10.37572
4	-	2	-	-10.35428
5	-	2	-	-10.34196
6	-	2	-	-10.34098
7	-	2	-	-10.33222
8	-	2	-	-10.32619
9	-	2	-	-10.32344
10	-	2	-	-10.31345
11	-	2	-	-10.29795
12	-	2	-	-10.29747
13	-	2	-	-10.2897
14	-	2	-	-10.28906
15	-	2	-	-10.28821
16	-	2	-	-1.16073
17	-	2	-	-1.02487
18	-	2	-	-0.98878
19	-	2	-	-0.94756
20	-	2	-	-0.91199
21	-	2	-	-0.90606
22	-	2	-	-0.87002
23	-	2	-	-0.85198
24	-	2	-	-0.82757
25	-	2	-	-0.77652
26	-	2	-	-0.76604
27	-	2	-	-0.73224
28	-	2	-	-0.72357
29	-	2	-	-0.70419
30	-	2	-	-0.67528
31	-	2	-	-0.65026
32	-	2	-	-0.64115
33	-	2	-	-0.62036
34	-	2	-	-0.61029
35	-	2	-	-0.60123
36	-	2	-	-0.58709
37	-	2	-	-0.5817
38	-	2	-	-0.57282
39	-	2	-	-0.57089
40	-	2	-	-0.54713
41	-	2	-	-0.54275
42	-	2	-	-0.53964
43	-	2	-	-0.51215
44	-	2	-	-0.5075
45	-	2	-	-0.50236
46	-	2	-	-0.48945
47	-	2	-	-0.47044
48	-	2	-	-0.46547
49	-	2	-	-0.41747
50	-	2	-	-0.41376
51	-	2	-	-0.37833
52	-	2	-	-0.37616
53	-	0	-	-0.24854
54	-	0	-	-0.16564
55	-	0	-	-0.14651
56	-	0	-	-0.13667
57	-	0	-	-0.13124
58	-	0	-	-0.12872
59	-	0	-	-0.11814
60	-	0	-	-0.09926
61	-	0	-	-0.08762
62	-	0	-	-0.0829
63	-	0	-	-0.07676
64	-	0	-	-0.07551
65	-	0	-	-0.06695
66	-	0	-	-0.06227
67	-	0	-	-0.06028
68	-	0	-	-0.05583
69	-	0	-	-0.04858
70	-	0	-	-0.04175
71	-	0	-	-0.03683
72	-	0	-	-0.03274
73	-	0	-	-0.0292
74	-	0	-	-0.02557
75	-	0	-	-0.02025
76	-	0	-	-0.0163
77	-	0	-	-0.01542
78	-	0	-	-0.00585
79	-	0	-	-0.00351
80	-	0	-	0.00016
81	-	0	-	0.0072
82	-	0	-	0.00972
83	-	0	-	0.01575
84	-	0	-	0.01868
85	-	0	-	0.02231
86	-	0	-	0.0268
87	-	0	-	0.02988
88	-	0	-	0.03322
89	-	0	-	0.03585
90	-	0	-	0.0397
91	-	0	-	0.04229
92	-	0	-	0.04785
93	-	0	-	0.05087
94	-	0	-	0.05451
95	-	0	-	0.06208
96	-	0	-	0.06354
97	-	0	-	0.06483
98	-	0	-	0.07072
99	-	0	-	0.07197
100	-	0	-	0.07358
101	-	0	-	0.07924
102	-	0	-	0.08474
103	-	0	-	0.08722
104	-	0	-	0.09052
105	-	0	-	0.09235
106	-	0	-	0.09467
107	-	0	-	0.09754
108	-	0	-	0.10504
109	-	0	-	0.1063
110	-	0	-	0.10899
111	-	0	-	0.112
112	-	0	-	0.11433
113	-	0	-	0.11741
114	-	0	-	0.12158
115	-	0	-	0.12555
116	-	0	-	0.12704
117	-	0	-	0.13248
118	-	0	-	0.13557
119	-	0	-	0.1367
120	-	0	-	0.13878
121	-	0	-	0.14408
122	-	0	-	0.1484
123	-	0	-	0.15019
124	-	0	-	0.15955
125	-	0	-	0.16248
126	-	0	-	0.16432
127	-	0	-	0.16951
128	-	0	-	0.17266
129	-	0	-	0.17391
130	-	0	-	0.18017
131	-	0	-	0.18512
132	-	0	-	0.18819
133	-	0	-	0.18964
134	-	0	-	0.19513
135	-	0	-	0.19904
136	-	0	-	0.2106
137	-	0	-	0.21282
138	-	0	-	0.21534
139	-	0	-	0.22272
140	-	0	-	0.22595
141	-	0	-	0.23757
142	-	0	-	0.25017
143	-	0	-	0.25852
144	-	0	-	0.26468
145	-	0	-	0.29458
146	-	0	-	0.31719
147	-	0	-	0.32282
148	-	0	-	0.33447
149	-	0	-	0.34885
150	-	0	-	0.35735
151	-	0	-	0.36486
152	-	0	-	0.37047
153	-	0	-	0.37922
154	-	0	-	0.38577
155	-	0	-	0.38975
156	-	0	-	0.3944
157	-	0	-	0.3964
158	-	0	-	0.39952
159	-	0	-	0.40151
160	-	0	-	0.40848
161	-	0	-	0.41338
162	-	0	-	0.41656
163	-	0	-	0.42275
164	-	0	-	0.42348
165	-	0	-	0.42805
166	-	0	-	0.43352
167	-	0	-	0.44329
168	-	0	-	0.44718
169	-	0	-	0.45329
170	-	0	-	0.46264
171	-	0	-	0.46993
172	-	0	-	0.47537
173	-	0	-	0.48274
174	-	0	-	0.49155
175	-	0	-	0.49666
176	-	0	-	0.49847
177	-	0	-	0.50303
178	-	0	-	0.51419
179	-	0	-	0.51664
180	-	0	-	0.51981
181	-	0	-	0.52854
182	-	0	-	0.53026
183	-	0	-	0.53565
184	-	0	-	0.53943
185	-	0	-	0.54338
186	-	0	-	0.54744
187	-	0	-	0.5526
188	-	0	-	0.55574
189	-	0	-	0.56322
190	-	0	-	0.56928
191	-	0	-	0.56998
192	-	0	-	0.57685
193	-	0	-	0.57886
194	-	0	-	0.59242
195	-	0	-	0.59445
196	-	0	-	0.60139
197	-	0	-	0.60705
198	-	0	-	0.61492
199	-	0	-	0.61949
200	-	0	-	0.63216
201	-	0	-	0.63566
202	-	0	-	0.65299
203	-	0	-	0.66155
204	-	0	-	0.66426
205	-	0	-	0.66646
206	-	0	-	0.67066
207	-	0	-	0.67542
208	-	0	-	0.67793
209	-	0	-	0.68436
210	-	0	-	0.68831
211	-	0	-	0.69262
212	-	0	-	0.69513
213	-	0	-	0.69984
214	-	0	-	0.70535
215	-	0	-	0.7084
216	-	0	-	0.71593
217	-	0	-	0.71785
218	-	0	-	0.71884
219	-	0	-	0.72749
220	-	0	-	0.73302
221	-	0	-	0.74225
222	-	0	-	0.74691
223	-	0	-	0.75007
224	-	0	-	0.75889
225	-	0	-	0.78375
226	-	0	-	0.78958
227	-	0	-	0.81366
228	-	0	-	0.81903
229	-	0	-	0.84286
230	-	0	-	0.85486
231	-	0	-	0.86677
232	-	0	-	0.89929
233	-	0	-	0.90384
234	-	0	-	0.91523
235	-	0	-	0.92703
236	-	0	-	0.9313
237	-	0	-	0.94114
238	-	0	-	0.96992
239	-	0	-	0.97872
240	-	0	-	0.9893
241	-	0	-	0.99683
242	-	0	-	1.01259
243	-	0	-	1.02079
244	-	0	-	1.05228
245	-	0	-	1.06249
246	-	0	-	1.07235
247	-	0	-	1.07946
248	-	0	-	1.08716
249	-	0	-	1.09359
250	-	0	-	1.10136
251	-	0	-	1.12053
252	-	0	-	1.12397
253	-	0	-	1.12541
254	-	0	-	1.14992
255	-	0	-	1.16516
256	-	0	-	1.17752
257	-	0	-	1.18329
258	-	0	-	1.18616
259	-	0	-	1.19216
260	-	0	-	1.19617
261	-	0	-	1.20289
262	-	0	-	1.20815
263	-	0	-	1.21506
264	-	0	-	1.21941
265	-	0	-	1.22577
266	-	0	-	1.23976
267	-	0	-	1.25084
268	-	0	-	1.25518
269	-	0	-	1.27606
270	-	0	-	1.28179
271	-	0	-	1.3017
272	-	0	-	1.30948
273	-	0	-	1.34694
274	-	0	-	1.3577
275	-	0	-	1.35923
276	-	0	-	1.38511
277	-	0	-	1.38876
278	-	0	-	1.41022
279	-	0	-	1.41189
280	-	0	-	1.42767
281	-	0	-	1.43456
282	-	0	-	1.44488
283	-	0	-	1.44993
284	-	0	-	1.46257
285	-	0	-	1.46369
286	-	0	-	1.48567
287	-	0	-	1.49407
288	-	0	-	1.51777
289	-	0	-	1.54028
290	-	0	-	1.54356
291	-	0	-	1.5547
292	-	0	-	1.57414
293	-	0	-	1.59268
294	-	0	-	1.62058
295	-	0	-	1.63068
296	-	0	-	1.63384
297	-	0	-	1.64481
298	-	0	-	1.66401
299	-	0	-	1.67255
300	-	0	-	1.7006
301	-	0	-	1.72656
302	-	0	-	1.7605
303	-	0	-	1.7734
304	-	0	-	1.78098
305	-	0	-	1.81211
306	-	0	-	1.81714
307	-	0	-	1.84895
308	-	0	-	1.86498
309	-	0	-	1.88861
310	-	0	-	1.90657
311	-	0	-	1.9434
312	-	0	-	1.96937
313	-	0	-	2.01319
314	-	0	-	2.04536
315	-	0	-	2.06136
316	-	0	-	2.0907
317	-	0	-	2.11142
318	-	0	-	2.13924
319	-	0	-	2.16843
320	-	0	-	2.19172
321	-	0	-	2.20064
322	-	0	-	2.21249
323	-	0	-	2.21654
324	-	0	-	2.2241
325	-	0	-	2.23337
326	-	0	-	2.25738
327	-	0	-	2.3301
328	-	0	-	2.40432
329	-	0	-	2.43522
330	-	0	-	2.46537
331	-	0	-	2.48636
332	-	0	-	2.49299
333	-	0	-	2.5313
334	-	0	-	2.53683
335	-	0	-	2.54022
336	-	0	-	2.54693
337	-	0	-	2.56651
338	-	0	-	2.58601
339	-	0	-	2.59332
340	-	0	-	2.6063
341	-	0	-	2.6146
342	-	0	-	2.62586
343	-	0	-	2.62973
344	-	0	-	2.63793
345	-	0	-	2.64398
346	-	0	-	2.65248
347	-	0	-	2.66796
348	-	0	-	2.68465
349	-	0	-	2.68893
350	-	0	-	2.69585
351	-	0	-	2.72296
352	-	0	-	2.72539
353	-	0	-	2.72948
354	-	0	-	2.73064
355	-	0	-	2.73485
356	-	0	-	2.74783
357	-	0	-	2.76745
358	-	0	-	2.78577
359	-	0	-	2.80332
360	-	0	-	2.81573
361	-	0	-	2.83345
362	-	0	-	2.84492
363	-	0	-	2.86206
364	-	0	-	2.92964
365	-	0	-	2.93868
366	-	0	-	2.94821
367	-	0	-	2.95648
368	-	0	-	2.97752
369	-	0	-	2.97938
370	-	0	-	2.98881
371	-	0	-	2.99673
372	-	0	-	3.00187
373	-	0	-	3.01801
374	-	0	-	3.03809
375	-	0	-	3.03935
376	-	0	-	3.05631
377	-	0	-	3.06465
378	-	0	-	3.11193
379	-	0	-	3.12054
380	-	0	-	3.12814
381	-	0	-	3.13884
382	-	0	-	3.14087
383	-	0	-	3.14454
384	-	0	-	3.16142
385	-	0	-	3.17251
386	-	0	-	3.17832
387	-	0	-	3.18467
388	-	0	-	3.18896
389	-	0	-	3.20043
390	-	0	-	3.20565
391	-	0	-	3.21311
392	-	0	-	3.234
393	-	0	-	3.23692
394	-	0	-	3.26544
395	-	0	-	3.28331
396	-	0	-	3.29458
397	-	0	-	3.30146
398	-	0	-	3.31242
399	-	0	-	3.32329
400	-	0	-	3.33069
401	-	0	-	3.33523
402	-	0	-	3.3568
403	-	0	-	3.37181
404	-	0	-	3.38563
405	-	0	-	3.39716
406	-	0	-	3.40728
407	-	0	-	3.41276
408	-	0	-	3.42651
409	-	0	-	3.42916
410	-	0	-	3.43894
411	-	0	-	3.4457
412	-	0	-	3.45036
413	-	0	-	3.46475
414	-	0	-	3.47332
415	-	0	-	3.4872
416	-	0	-	3.49224
417	-	0	-	3.49399
418	-	0	-	3.499
419	-	0	-	3.52414
420	-	0	-	3.5332
421	-	0	-	3.53775
422	-	0	-	3.54126
423	-	0	-	3.57324
424	-	0	-	3.58678
425	-	0	-	3.60378
426	-	0	-	3.60684
427	-	0	-	3.61746
428	-	0	-	3.62527
429	-	0	-	3.64008
430	-	0	-	3.64882
431	-	0	-	3.66111
432	-	0	-	3.7054
433	-	0	-	3.71035
434	-	0	-	3.71944
435	-	0	-	3.75294
436	-	0	-	3.76329
437	-	0	-	3.76496
438	-	0	-	3.77372
439	-	0	-	3.78483
440	-	0	-	3.78855
441	-	0	-	3.79985
442	-	0	-	3.81002
443	-	0	-	3.81974
444	-	0	-	3.82618
445	-	0	-	3.84412
446	-	0	-	3.85159
447	-	0	-	3.86427
448	-	0	-	3.8938
449	-	0	-	3.96884
450	-	0	-	3.98195
451	-	0	-	3.98478
452	-	0	-	4.01358
453	-	0	-	4.06859
454	-	0	-	4.09619
455	-	0	-	4.17906
456	-	0	-	4.39274
457	-	0	-	4.4236
458	-	0	-	4.44329
459	-	0	-	4.46531
460	-	0	-	4.53087
461	-	0	-	4.5402
462	-	0	-	4.65321
463	-	0	-	4.71052
464	-	0	-	4.73673
465	-	0	-	4.75804
466	-	0	-	4.79746
467	-	0	-	4.8175
468	-	0	-	4.91119
469	-	0	-	4.99064
470	-	0	-	5.1355
471	-	0	-	5.179
472	-	0	-	5.19427
473	-	0	-	5.41036
474	-	0	-	5.50549
475	-	0	-	23.53683
476	-	0	-	23.5497
477	-	0	-	23.7876
478	-	0	-	23.80664
479	-	0	-	23.86769
480	-	0	-	23.89051
481	-	0	-	23.90361
482	-	0	-	23.93887
483	-	0	-	23.95655
484	-	0	-	23.96289
485	-	0	-	23.98525
486	-	0	-	24.0022
487	-	0	-	24.00932
488	-	0	-	24.06575
489	-	0	-	35.47303
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.18483
2	C	-0.10235
3	C	-0.19213
4	C	-0.18187
5	C	-0.16941
6	C	-0.18181
7	C	-0.18937
8	H	0.20726
9	H	0.22154
10	H	0.22269
11	H	0.22254
12	H	0.21169
13	N	-0.44266
14	C	0.26003
15	C	-0.17224
16	C	-0.11224
17	C	-0.19274
18	C	-0.10874
19	C	-0.18201
20	C	-0.13779
21	H	0.20685
22	H	0.23206
23	H	0.23013
24	H	0.23378
25	H	0.22118
26	H	0.21711
27	H	0.41320
28	H	0.22089
29	H	0.22923

Natural Atomic Orbitals


Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	C1 Cor(1S)	1.999158057	-	-10.238289855
2	C1 Val(2S)	1.013391756	-	-0.389305103
3	C1 Ryd(4S)	0.001579055	-	0.946577904
4	C1 Ryd(3S)	0.000196625	-	0.746031579
5	C1 Ryd(5S)	0.000006124	-	22.902859423
6	C1 Val(2p)	0.866671148	-	-0.234359668
7	C1 Ryd(4p)	0.003639543	-	0.614144596
8	C1 Ryd(3p)	0.000415639	-	0.314958432
9	C1 Ryd(5p)	0.000102532	-	3.119326178
10	C1 Val(2p)	1.076498501	-	-0.262973111
11	C1 Ryd(4p)	0.002709592	-	0.530824553
12	C1 Ryd(3p)	0.000175463	-	0.212180977
13	C1 Ryd(5p)	0.000115288	-	3.091237696
14	C1 Val(2p)	1.207346899	-	-0.269882627
15	C1 Ryd(4p)	0.005824566	-	0.667782357
16	C1 Ryd(3p)	0.000283788	-	0.227424043
17	C1 Ryd(5p)	0.000079494	-	3.169009661
18	C1 Ryd(3d)	0.001604128	-	1.767491884
19	C1 Ryd(4d)	0.000287678	-	3.190949909
20	C1 Ryd(3d)	0.000613833	-	1.641457828
21	C1 Ryd(4d)	0.000186302	-	2.805001671
22	C1 Ryd(3d)	0.000923241	-	1.647946345
23	C1 Ryd(4d)	0.000160590	-	2.831935997
24	C1 Ryd(3d)	0.000828540	-	1.661906398
25	C1 Ryd(4d)	0.000321556	-	2.900721971
26	C1 Ryd(3d)	0.001569112	-	1.725759360
27	C1 Ryd(4d)	0.000143746	-	3.072068418
28	C2 Cor(1S)	1.998983483	-	-10.167418060
29	C2 Val(2S)	0.883527333	-	-0.272906100
30	C2 Ryd(3S)	0.000938324	-	0.900752834
31	C2 Ryd(4S)	0.000197625	-	1.701495384
32	C2 Ryd(5S)	0.000009762	-	20.908499327
33	C2 Val(2p)	1.049565774	-	-0.209245183
34	C2 Ryd(4p)	0.005041925	-	0.950353930
35	C2 Ryd(3p)	0.000215048	-	0.797709901
36	C2 Ryd(5p)	0.000070860	-	2.828552637
37	C2 Val(2p)	1.057022157	-	-0.222076651
38	C2 Ryd(3p)	0.002750740	-	0.694128943
39	C2 Ryd(4p)	0.000273062	-	0.830199296
40	C2 Ryd(5p)	0.000080586	-	2.530638708
41	C2 Val(2p)	1.094126117	-	-0.192803346
42	C2 Ryd(4p)	0.003651808	-	0.996873379
43	C2 Ryd(3p)	0.000408585	-	0.883866549
44	C2 Ryd(5p)	0.000107227	-	3.105053003
45	C2 Ryd(3d)	0.000806883	-	1.639590740
46	C2 Ryd(4d)	0.000278304	-	3.405074659
47	C2 Ryd(3d)	0.000623531	-	1.710975264
48	C2 Ryd(4d)	0.000653430	-	3.376203353
49	C2 Ryd(3d)	0.000394263	-	1.456416333
50	C2 Ryd(4d)	0.000493957	-	3.320757113
51	C2 Ryd(3d)	0.000332897	-	1.136244863
52	C2 Ryd(4d)	0.000201993	-	3.357857971
53	C2 Ryd(3d)	0.000964210	-	2.120530924
54	C2 Ryd(4d)	0.000634689	-	3.417741536
55	C3 Cor(1S)	1.999038083	-	-10.147087832
56	C3 Val(2S)	0.941728584	-	-0.278461663
57	C3 Ryd(4S)	0.001272847	-	1.070796037
58	C3 Ryd(3S)	0.000123106	-	0.618836997
59	C3 Ryd(5S)	0.000013327	-	21.526060646
60	C3 Val(2p)	1.045764572	-	-0.192956582
61	C3 Ryd(4p)	0.003435145	-	0.662926789
62	C3 Ryd(3p)	0.000318811	-	0.353246232
63	C3 Ryd(5p)	0.000126688	-	3.104618606
64	C3 Val(2p)	1.016141417	-	-0.208654537
65	C3 Ryd(4p)	0.002138898	-	0.549912639
66	C3 Ryd(3p)	0.000417238	-	0.315743417
67	C3 Ryd(5p)	0.000078304	-	2.919739415
68	C3 Val(2p)	1.170176471	-	-0.175996887
69	C3 Ryd(4p)	0.006041508	-	1.039522192
70	C3 Ryd(3p)	0.000222113	-	0.315197768
71	C3 Ryd(5p)	0.000080936	-	3.349150143
72	C3 Ryd(3d)	0.001187306	-	2.002554768
73	C3 Ryd(4d)	0.000181270	-	3.303712828
74	C3 Ryd(3d)	0.000652023	-	1.670843186
75	C3 Ryd(4d)	0.000275577	-	3.245012394
76	C3 Ryd(3d)	0.000521127	-	1.474370903
77	C3 Ryd(4d)	0.000158591	-	3.085994054
78	C3 Ryd(3d)	0.000366314	-	1.382607246
79	C3 Ryd(4d)	0.000138055	-	3.020556242
80	C3 Ryd(3d)	0.000827140	-	1.746803578
81	C3 Ryd(4d)	0.000702104	-	3.420434597
82	C4 Cor(1S)	1.999151726	-	-10.141958356
83	C4 Val(2S)	0.953616721	-	-0.278668894
84	C4 Ryd(3S)	0.001349287	-	1.100180412
85	C4 Ryd(4S)	0.000106260	-	1.251038652
86	C4 Ryd(5S)	0.000003105	-	20.769830423
87	C4 Val(2p)	1.072119255	-	-0.181832268
88	C4 Ryd(4p)	0.004143634	-	0.744026705
89	C4 Ryd(3p)	0.000278731	-	0.277097255
90	C4 Ryd(5p)	0.000085918	-	3.087100689
91	C4 Val(2p)	1.026729675	-	-0.199369141
92	C4 Ryd(4p)	0.002710506	-	0.601270460
93	C4 Ryd(3p)	0.000251214	-	0.252178249
94	C4 Ryd(5p)	0.000048436	-	2.872708435
95	C4 Val(2p)	1.110005581	-	-0.163779735
96	C4 Ryd(4p)	0.005936871	-	0.836410573
97	C4 Ryd(3p)	0.000264253	-	0.348282139
98	C4 Ryd(5p)	0.000145790	-	3.322433505
99	C4 Ryd(3d)	0.001141266	-	1.713490087
100	C4 Ryd(4d)	0.000178486	-	3.164501661
101	C4 Ryd(3d)	0.000587825	-	1.905244670
102	C4 Ryd(4d)	0.000537945	-	3.256761729
103	C4 Ryd(3d)	0.000429949	-	1.612304541
104	C4 Ryd(4d)	0.000333019	-	3.066868153
105	C4 Ryd(3d)	0.000358298	-	1.359845062
106	C4 Ryd(4d)	0.000102199	-	2.870915628
107	C4 Ryd(3d)	0.000964208	-	1.989394642
108	C4 Ryd(4d)	0.000294314	-	3.326728588
109	C5 Cor(1S)	1.999153954	-	-10.141695133
110	C5 Val(2S)	0.957373031	-	-0.278743462
111	C5 Ryd(4S)	0.001142926	-	1.006154634
112	C5 Ryd(3S)	0.000099150	-	0.914984979
113	C5 Ryd(5S)	0.000008059	-	21.347954417
114	C5 Val(2p)	1.092106858	-	-0.181930324
115	C5 Ryd(4p)	0.004589071	-	0.783039291
116	C5 Ryd(3p)	0.000259671	-	0.274709159
117	C5 Ryd(5p)	0.000050452	-	3.102168465
118	C5 Val(2p)	1.026049074	-	-0.197951728
119	C5 Ryd(4p)	0.002765545	-	0.610896596
120	C5 Ryd(3p)	0.000237309	-	0.261362268
121	C5 Ryd(5p)	0.000039661	-	2.876289050
122	C5 Val(2p)	1.075290070	-	-0.158052497
123	C5 Ryd(4p)	0.004663154	-	0.760135190
124	C5 Ryd(3p)	0.000458505	-	0.366369964
125	C5 Ryd(5p)	0.000172285	-	3.316219791
126	C5 Ryd(3d)	0.001031613	-	1.637392588
127	C5 Ryd(4d)	0.000226698	-	3.100132362
128	C5 Ryd(3d)	0.000597190	-	1.841845164
129	C5 Ryd(4d)	0.000408652	-	3.192668360
130	C5 Ryd(3d)	0.000446416	-	1.666910016
131	C5 Ryd(4d)	0.000270125	-	3.036862649
132	C5 Ryd(3d)	0.000435658	-	1.359135009
133	C5 Ryd(4d)	0.000057609	-	2.798458322
134	C5 Ryd(3d)	0.001035810	-	2.227709039
135	C5 Ryd(4d)	0.000442072	-	3.339699375
136	C6 Cor(1S)	1.999152924	-	-10.142677047
137	C6 Val(2S)	0.953471136	-	-0.279161606
138	C6 Ryd(4S)	0.001346012	-	1.121167938
139	C6 Ryd(3S)	0.000101393	-	1.083465584
140	C6 Ryd(5S)	0.000003147	-	20.926161560
141	C6 Val(2p)	1.028731885	-	-0.180417416
142	C6 Ryd(4p)	0.003114337	-	0.624548463
143	C6 Ryd(3p)	0.000322934	-	0.352665202
144	C6 Ryd(5p)	0.000133196	-	3.071433669
145	C6 Val(2p)	1.000983305	-	-0.198070122
146	C6 Ryd(4p)	0.002113265	-	0.531319077
147	C6 Ryd(3p)	0.000277727	-	0.294486180
148	C6 Ryd(5p)	0.000079682	-	2.873721981
149	C6 Val(2p)	1.179360408	-	-0.168092443
150	C6 Ryd(4p)	0.007418503	-	1.024448248
151	C6 Ryd(3p)	0.000215287	-	0.231303170
152	C6 Ryd(5p)	0.000062154	-	3.348017047
153	C6 Ryd(3d)	0.001208154	-	2.072014754
154	C6 Ryd(4d)	0.000180820	-	3.213679732
155	C6 Ryd(3d)	0.000667432	-	1.735790041
156	C6 Ryd(4d)	0.000279751	-	3.185560701
157	C6 Ryd(3d)	0.000545723	-	1.528575110
158	C6 Ryd(4d)	0.000157110	-	3.004990155
159	C6 Ryd(3d)	0.000280238	-	1.445490322
160	C6 Ryd(4d)	0.000132831	-	2.932747636
161	C6 Ryd(3d)	0.000780305	-	1.795778545
162	C6 Ryd(4d)	0.000693619	-	3.350551312
163	C7 Cor(1S)	1.999035467	-	-10.147611708
164	C7 Val(2S)	0.939704809	-	-0.277700621
165	C7 Ryd(4S)	0.001276727	-	1.050072204
166	C7 Ryd(3S)	0.000116627	-	0.685167443
167	C7 Ryd(5S)	0.000011280	-	21.558079087
168	C7 Val(2p)	1.087909391	-	-0.197437738
169	C7 Ryd(4p)	0.004450965	-	0.782905790
170	C7 Ryd(3p)	0.000242222	-	0.354826677
171	C7 Ryd(5p)	0.000084168	-	3.138804665
172	C7 Val(2p)	1.046074217	-	-0.211288767
173	C7 Ryd(4p)	0.002714396	-	0.640041440
174	C7 Ryd(3p)	0.000390210	-	0.271452170
175	C7 Ryd(5p)	0.000051646	-	2.953143609
176	C7 Val(2p)	1.097612286	-	-0.170843078
177	C7 Ryd(4p)	0.004260738	-	0.827631135
178	C7 Ryd(3p)	0.000355256	-	0.396675337
179	C7 Ryd(5p)	0.000147540	-	3.293010319
180	C7 Ryd(3d)	0.001099406	-	1.699117612
181	C7 Ryd(4d)	0.000128622	-	3.230340594
182	C7 Ryd(3d)	0.000589984	-	1.837131595
183	C7 Ryd(4d)	0.000557488	-	3.334504598
184	C7 Ryd(3d)	0.000397868	-	1.585355141
185	C7 Ryd(4d)	0.000360611	-	3.140166427
186	C7 Ryd(3d)	0.000373435	-	1.306980060
187	C7 Ryd(4d)	0.000098842	-	2.911491641
188	C7 Ryd(3d)	0.001028371	-	1.919027869
189	C7 Ryd(4d)	0.000302339	-	3.387571494
190	H8 Val(1S)	0.791263931	-	-0.074270522
191	H8 Ryd(2S)	0.000645759	-	1.211672992
192	H8 Ryd(3S)	0.000141278	-	1.671786147
193	H8 Ryd(2p)	0.000225817	-	2.368274857
194	H8 Ryd(2p)	0.000240980	-	2.147097581
195	H8 Ryd(2p)	0.000217320	-	2.601263026
196	H9 Val(1S)	0.777149649	-	-0.050584546
197	H9 Ryd(2S)	0.000498601	-	0.953337930
198	H9 Ryd(3S)	0.000157663	-	1.895012378
199	H9 Ryd(2p)	0.000107088	-	2.240487613
200	H9 Ryd(2p)	0.000145597	-	2.043442955
201	H9 Ryd(2p)	0.000398587	-	2.783660365
202	H10 Val(1S)	0.776186321	-	-0.045565571
203	H10 Ryd(2S)	0.000325839	-	0.937763793
204	H10 Ryd(3S)	0.000157812	-	1.928647097
205	H10 Ryd(2p)	0.000302103	-	2.430695930
206	H10 Ryd(2p)	0.000241188	-	2.137842296
207	H10 Ryd(2p)	0.000096525	-	2.500460697
208	H11 Val(1S)	0.776155297	-	-0.049260216
209	H11 Ryd(2S)	0.000493592	-	0.957719107
210	H11 Ryd(3S)	0.000157731	-	1.889215144
211	H11 Ryd(2p)	0.000238094	-	2.373051130
212	H11 Ryd(2p)	0.000224303	-	2.117749413
213	H11 Ryd(2p)	0.000188680	-	2.578716494
214	H12 Val(1S)	0.786843304	-	-0.068881476
215	H12 Ryd(2S)	0.000650472	-	1.211079911
216	H12 Ryd(3S)	0.000135355	-	1.654299141
217	H12 Ryd(2p)	0.000108657	-	2.250016599
218	H12 Ryd(2p)	0.000141965	-	2.063439960
219	H12 Ryd(2p)	0.000426254	-	2.796177566
220	N13 Cor(1S)	1.999285463	-	-14.382921153
221	N13 Val(2S)	1.256571852	-	-0.740065860
222	N13 Ryd(4S)	0.001434004	-	1.362661604
223	N13 Ryd(3S)	0.000148658	-	0.956653268
224	N13 Ryd(5S)	0.000002803	-	35.040658656
225	N13 Val(2p)	1.315924190	-	-0.440812203
226	N13 Ryd(4p)	0.001887529	-	1.012012790
227	N13 Ryd(3p)	0.000335867	-	0.867745057
228	N13 Ryd(5p)	0.000063951	-	4.226134410
229	N13 Val(2p)	1.402670852	-	-0.442054808
230	N13 Ryd(4p)	0.002648696	-	0.850294683
231	N13 Ryd(3p)	0.000271871	-	0.742142113
232	N13 Ryd(5p)	0.000074297	-	4.236478375
233	N13 Val(2p)	1.452046851	-	-0.447550680
234	N13 Ryd(3p)	0.001957666	-	0.536297152
235	N13 Ryd(4p)	0.000623075	-	0.581015965
236	N13 Ryd(5p)	0.000029515	-	3.808885385
237	N13 Ryd(3d)	0.001186667	-	1.630518625
238	N13 Ryd(4d)	0.000130413	-	4.867039561
239	N13 Ryd(3d)	0.001267931	-	1.520652899
240	N13 Ryd(4d)	0.000091832	-	4.749634050
241	N13 Ryd(3d)	0.000660089	-	1.338381601
242	N13 Ryd(4d)	0.000080652	-	4.584320853
243	N13 Ryd(3d)	0.001526337	-	1.680951288
244	N13 Ryd(4d)	0.000244117	-	4.930111368
245	N13 Ryd(3d)	0.001446450	-	1.398784994
246	N13 Ryd(4d)	0.000053220	-	4.664196827
247	C14 Cor(1S)	1.999173522	-	-10.286541928
248	C14 Val(2S)	0.915370651	-	-0.364196535
249	C14 Ryd(3S)	0.003489962	-	0.921590396
250	C14 Ryd(4S)	0.000151064	-	2.259759663
251	C14 Ryd(5S)	0.000027318	-	19.496902683
252	C14 Val(2p)	0.913489047	-	-0.218346828
253	C14 Ryd(4p)	0.004832612	-	0.874473713
254	C14 Ryd(3p)	0.000395404	-	0.542556399
255	C14 Ryd(5p)	0.000126541	-	2.958399971
256	C14 Val(2p)	1.097192196	-	-0.265297681
257	C14 Ryd(4p)	0.005965729	-	0.916043155
258	C14 Ryd(3p)	0.000226867	-	0.360998805
259	C14 Ryd(5p)	0.000125479	-	2.992503317
260	C14 Val(2p)	0.791836556	-	-0.293907758
261	C14 Ryd(4p)	0.001665279	-	0.496553753
262	C14 Ryd(3p)	0.000393855	-	0.254860228
263	C14 Ryd(5p)	0.000065766	-	2.668021492
264	C14 Ryd(3d)	0.000905003	-	2.245667729
265	C14 Ryd(4d)	0.000295203	-	2.937736410
266	C14 Ryd(3d)	0.001100110	-	1.985271374
267	C14 Ryd(4d)	0.000101701	-	2.610204428
268	C14 Ryd(3d)	0.000407265	-	1.866044932
269	C14 Ryd(4d)	0.000203358	-	2.385801596
270	C14 Ryd(3d)	0.000970198	-	2.312384584
271	C14 Ryd(4d)	0.000426470	-	3.073011270
272	C14 Ryd(3d)	0.000890714	-	1.988070941
273	C14 Ryd(4d)	0.000141570	-	2.532383012
274	C15 Cor(1S)	1.999001936	-	-10.208132628
275	C15 Val(2S)	0.884381814	-	-0.307037040
276	C15 Ryd(3S)	0.000730927	-	1.107844118
277	C15 Ryd(4S)	0.000092357	-	1.444211236
278	C15 Ryd(5S)	0.000010690	-	20.334564022
279	C15 Val(2p)	1.071677422	-	-0.242041766
280	C15 Ryd(4p)	0.006128654	-	1.157772254
281	C15 Ryd(3p)	0.000140726	-	0.658929707
282	C15 Ryd(5p)	0.000098461	-	3.167346720
283	C15 Val(2p)	1.108894412	-	-0.244744760
284	C15 Ryd(4p)	0.003726947	-	1.114854969
285	C15 Ryd(3p)	0.000216757	-	0.591393105
286	C15 Ryd(5p)	0.000123200	-	3.073722133
287	C15 Val(2p)	1.089473620	-	-0.272781241
288	C15 Ryd(4p)	0.001527331	-	0.563533845
289	C15 Ryd(3p)	0.000176458	-	0.497858999
290	C15 Ryd(5p)	0.000068935	-	2.520354722
291	C15 Ryd(3d)	0.000876708	-	2.010521637
292	C15 Ryd(4d)	0.000718081	-	3.480284424
293	C15 Ryd(3d)	0.000553702	-	1.271452109
294	C15 Ryd(4d)	0.000205996	-	3.370662385
295	C15 Ryd(3d)	0.000570356	-	1.378045796
296	C15 Ryd(4d)	0.000328524	-	3.338411405
297	C15 Ryd(3d)	0.000913639	-	1.941927744
298	C15 Ryd(4d)	0.000695793	-	3.479881855
299	C15 Ryd(3d)	0.000732826	-	1.435942742
300	C15 Ryd(4d)	0.000172085	-	3.386662834
301	C16 Cor(1S)	1.999092551	-	-10.192621409
302	C16 Val(2S)	0.947949947	-	-0.322634576
303	C16 Ryd(4S)	0.001198594	-	0.961659476
304	C16 Ryd(3S)	0.000086235	-	0.801714341
305	C16 Ryd(5S)	0.000018547	-	21.372088708
306	C16 Val(2p)	1.043779477	-	-0.207693808
307	C16 Ryd(4p)	0.003482096	-	0.786837739
308	C16 Ryd(3p)	0.000417642	-	0.452350399
309	C16 Ryd(5p)	0.000171231	-	3.294634245
310	C16 Val(2p)	1.150146678	-	-0.217167904
311	C16 Ryd(4p)	0.005467256	-	0.941508489
312	C16 Ryd(3p)	0.000208504	-	0.268380417
313	C16 Ryd(5p)	0.000070280	-	3.359675717
314	C16 Val(2p)	0.953499589	-	-0.253031102
315	C16 Ryd(4p)	0.001369613	-	0.467990023
316	C16 Ryd(3p)	0.000333120	-	0.240795864
317	C16 Ryd(5p)	0.000047729	-	2.758850048
318	C16 Ryd(3d)	0.000767410	-	1.808849609
319	C16 Ryd(4d)	0.000307473	-	3.326546237
320	C16 Ryd(3d)	0.000679908	-	1.584441828
321	C16 Ryd(4d)	0.000179204	-	3.042505614
322	C16 Ryd(3d)	0.000622954	-	1.377706232
323	C16 Ryd(4d)	0.000143525	-	2.957038086
324	C16 Ryd(3d)	0.000636575	-	1.970219345
325	C16 Ryd(4d)	0.000645112	-	3.384330300
326	C16 Ryd(3d)	0.000850566	-	1.538309484
327	C16 Ryd(4d)	0.000070073	-	3.030258561
328	C17 Cor(1S)	1.999147897	-	-10.176746436
329	C17 Val(2S)	0.957978626	-	-0.315211522
330	C17 Ryd(4S)	0.001328714	-	1.146403951
331	C17 Ryd(3S)	0.000105013	-	1.065595845
332	C17 Ryd(5S)	0.000002777	-	20.808245765
333	C17 Val(2p)	1.124758925	-	-0.204875769
334	C17 Ryd(4p)	0.005589825	-	0.882401479
335	C17 Ryd(3p)	0.000252553	-	0.266763853
336	C17 Ryd(5p)	0.000095633	-	3.232797923
337	C17 Val(2p)	1.085370155	-	-0.204601317
338	C17 Ryd(4p)	0.005016614	-	0.760442767
339	C17 Ryd(3p)	0.000281557	-	0.332650597
340	C17 Ryd(5p)	0.000137945	-	3.188599014
341	C17 Val(2p)	1.005681183	-	-0.243904982
342	C17 Ryd(4p)	0.001830973	-	0.508811010
343	C17 Ryd(3p)	0.000197478	-	0.239243649
344	C17 Ryd(5p)	0.000035474	-	2.691853703
345	C17 Ryd(3d)	0.000749142	-	2.078924808
346	C17 Ryd(4d)	0.000609507	-	3.324210559
347	C17 Ryd(3d)	0.000533666	-	1.419126798
348	C17 Ryd(4d)	0.000211755	-	2.940553422
349	C17 Ryd(3d)	0.000560621	-	1.496059166
350	C17 Ryd(4d)	0.000144840	-	2.962563688
351	C17 Ryd(3d)	0.000732575	-	1.883408104
352	C17 Ryd(4d)	0.000353426	-	3.267901332
353	C17 Ryd(3d)	0.000981178	-	1.604011835
354	C17 Ryd(4d)	0.000051404	-	2.954404004
355	C18 Cor(1S)	1.999166322	-	-10.186349157
356	C18 Val(2S)	0.966902184	-	-0.323839752
357	C18 Ryd(3S)	0.001065837	-	0.964138127
358	C18 Ryd(4S)	0.000099550	-	1.123616923
359	C18 Ryd(5S)	0.000006576	-	21.140532984
360	C18 Val(2p)	1.139468260	-	-0.203916250
361	C18 Ryd(4p)	0.006133008	-	0.870187348
362	C18 Ryd(3p)	0.000235247	-	0.318478663
363	C18 Ryd(5p)	0.000061672	-	3.259340369
364	C18 Val(2p)	1.064439798	-	-0.198810898
365	C18 Ryd(4p)	0.004339814	-	0.720864039
366	C18 Ryd(3p)	0.000388472	-	0.355566416
367	C18 Ryd(5p)	0.000136180	-	3.232847609
368	C18 Val(2p)	0.919825116	-	-0.241490131
369	C18 Ryd(4p)	0.001138351	-	0.455264142
370	C18 Ryd(3p)	0.000222295	-	0.291111763
371	C18 Ryd(5p)	0.000045366	-	2.665032690
372	C18 Ryd(3d)	0.000732924	-	1.876032902
373	C18 Ryd(4d)	0.000542492	-	3.280687443
374	C18 Ryd(3d)	0.000717489	-	1.464818035
375	C18 Ryd(4d)	0.000094102	-	2.901081706
376	C18 Ryd(3d)	0.000692967	-	1.665541680
377	C18 Ryd(4d)	0.000170914	-	2.977801795
378	C18 Ryd(3d)	0.000785791	-	1.884572541
379	C18 Ryd(4d)	0.000446708	-	3.250408205
380	C18 Ryd(3d)	0.000786780	-	1.505565500
381	C18 Ryd(4d)	0.000100513	-	2.966767921
382	C19 Cor(1S)	1.999159510	-	-10.179788020
383	C19 Val(2S)	0.958078493	-	-0.317895676
384	C19 Ryd(4S)	0.001311376	-	1.179082902
385	C19 Ryd(3S)	0.000100583	-	1.109760527
386	C19 Ryd(5S)	0.000004411	-	20.731866073
387	C19 Val(2p)	1.049738029	-	-0.201327477
388	C19 Ryd(4p)	0.004005751	-	0.707629265
389	C19 Ryd(3p)	0.000291731	-	0.366819927
390	C19 Ryd(5p)	0.000156924	-	3.197985391
391	C19 Val(2p)	1.166519712	-	-0.210553385
392	C19 Ryd(4p)	0.006703896	-	0.955064543
393	C19 Ryd(3p)	0.000198734	-	0.212043355
394	C19 Ryd(5p)	0.000050665	-	3.262486433
395	C19 Val(2p)	0.988980489	-	-0.244823501
396	C19 Ryd(4p)	0.001526701	-	0.479155884
397	C19 Ryd(3p)	0.000212929	-	0.241673598
398	C19 Ryd(5p)	0.000039629	-	2.703320408
399	C19 Ryd(3d)	0.000797825	-	1.879035677
400	C19 Ryd(4d)	0.000312335	-	3.270786903
401	C19 Ryd(3d)	0.000537641	-	1.624188037
402	C19 Ryd(4d)	0.000166413	-	2.987847529
403	C19 Ryd(3d)	0.000694091	-	1.405793686
404	C19 Ryd(4d)	0.000147104	-	2.914409126
405	C19 Ryd(3d)	0.000668107	-	1.999079574
406	C19 Ryd(4d)	0.000661511	-	3.311660692
407	C19 Ryd(3d)	0.000871823	-	1.558984027
408	C19 Ryd(4d)	0.000068664	-	2.970154359
409	C20 Cor(1S)	1.999063909	-	-10.193514517
410	C20 Val(2S)	0.940659044	-	-0.319971315
411	C20 Ryd(4S)	0.001242734	-	0.984605293
412	C20 Ryd(3S)	0.000078773	-	0.697452404
413	C20 Ryd(5S)	0.000017786	-	21.443095761
414	C20 Val(2p)	1.130737333	-	-0.224405248
415	C20 Ryd(4p)	0.004665605	-	0.957721223
416	C20 Ryd(3p)	0.000255787	-	0.409961351
417	C20 Ryd(5p)	0.000108844	-	3.302812641
418	C20 Val(2p)	1.061021665	-	-0.206894340
419	C20 Ryd(4p)	0.003543451	-	0.789893109
420	C20 Ryd(3p)	0.000384803	-	0.419557388
421	C20 Ryd(5p)	0.000158903	-	3.202971148
422	C20 Val(2p)	0.988933879	-	-0.257517140
423	C20 Ryd(4p)	0.001642299	-	0.512015598
424	C20 Ryd(3p)	0.000421643	-	0.230725767
425	C20 Ryd(5p)	0.000030473	-	2.761469891
426	C20 Ryd(3d)	0.000583481	-	2.094329905
427	C20 Ryd(4d)	0.000581630	-	3.394681657
428	C20 Ryd(3d)	0.000610589	-	1.390171271
429	C20 Ryd(4d)	0.000205017	-	2.965613053
430	C20 Ryd(3d)	0.000555970	-	1.475821541
431	C20 Ryd(4d)	0.000150509	-	3.002940255
432	C20 Ryd(3d)	0.000795854	-	1.843234028
433	C20 Ryd(4d)	0.000376043	-	3.307046827
434	C20 Ryd(3d)	0.000895375	-	1.607093719
435	C20 Ryd(4d)	0.000065727	-	2.999162728
436	H21 Val(1S)	0.791575390	-	-0.113593416
437	H21 Ryd(2S)	0.000768674	-	1.408769020
438	H21 Ryd(3S)	0.000131826	-	1.458868917
439	H21 Ryd(2p)	0.000222260	-	2.565458849
440	H21 Ryd(2p)	0.000212677	-	2.486855949
441	H21 Ryd(2p)	0.000236742	-	1.961308307
442	H22 Val(1S)	0.766709083	-	-0.077961190
443	H22 Ryd(2S)	0.000439842	-	0.993519803
444	H22 Ryd(3S)	0.000156688	-	1.817662548
445	H22 Ryd(2p)	0.000061199	-	2.388286269
446	H22 Ryd(2p)	0.000378736	-	2.680885706
447	H22 Ryd(2p)	0.000195712	-	1.926236283
448	H23 Val(1S)	0.768810546	-	-0.075614550
449	H23 Ryd(2S)	0.000274642	-	0.906723294
450	H23 Ryd(3S)	0.000158285	-	1.900786441
451	H23 Ryd(2p)	0.000333152	-	2.636201894
452	H23 Ryd(2p)	0.000129192	-	2.434198694
453	H23 Ryd(2p)	0.000159198	-	1.899528594
454	H24 Val(1S)	0.764981217	-	-0.075312911
455	H24 Ryd(2S)	0.000450017	-	0.989799066
456	H24 Ryd(3S)	0.000154682	-	1.805227014
457	H24 Ryd(2p)	0.000260766	-	2.587145364
458	H24 Ryd(2p)	0.000149195	-	2.446885580
459	H24 Ryd(2p)	0.000228285	-	1.960063424
460	H25 Val(1S)	0.777517991	-	-0.098089681
461	H25 Ryd(2S)	0.000498708	-	1.218275849
462	H25 Ryd(3S)	0.000124600	-	1.581149921
463	H25 Ryd(2p)	0.000060835	-	2.398926715
464	H25 Ryd(2p)	0.000419412	-	2.675149789
465	H25 Ryd(2p)	0.000194687	-	1.935167905
466	H26 Val(1S)	0.781384692	-	-0.155350795
467	H26 Ryd(2S)	0.000823496	-	1.156192363
468	H26 Ryd(3S)	0.000086531	-	1.663935538
469	H26 Ryd(2p)	0.000053389	-	2.371297143
470	H26 Ryd(2p)	0.000385807	-	2.638340284
471	H26 Ryd(2p)	0.000151094	-	1.886411880
472	H27 Val(1S)	0.582951300	-	-0.104477112
473	H27 Ryd(2S)	0.002477525	-	0.474438883
474	H27 Ryd(3S)	0.000341816	-	2.028065160
475	H27 Ryd(2p)	0.000234271	-	2.211024438
476	H27 Ryd(2p)	0.000338278	-	2.719744687
477	H27 Ryd(2p)	0.000453878	-	1.919559745
478	H28 Val(1S)	0.777575689	-	-0.129550240
479	H28 Ryd(2S)	0.000843757	-	0.779079006
480	H28 Ryd(3S)	0.000089255	-	1.933822927
481	H28 Ryd(2p)	0.000101651	-	2.177068797
482	H28 Ryd(2p)	0.000373452	-	2.650525322
483	H28 Ryd(2p)	0.000126499	-	2.111983533
484	H29 Val(1S)	0.769347408	-	-0.120249502
485	H29 Ryd(2S)	0.000773195	-	0.758192615
486	H29 Ryd(3S)	0.000095333	-	1.885476835
487	H29 Ryd(2p)	0.000104370	-	2.184212265
488	H29 Ryd(2p)	0.000122231	-	2.051830060
489	H29 Ryd(2p)	0.000325963	-	2.686603506

Natural Hybrid Orbitals


Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	BD(1)C1(C2) 1s(32.06%)p2.12(67.85%)d0.00(0.10%)	1.024264450	-	-0.268060943
2	BD(1)C2(C1) 2s(29.40%)p2.40(70.55%)d0.00(0.05%)	0.971577246	-	-0.245277675
3	BD(1)C1(N13) 1s(20.49%)p3.87(79.35%)d0.01(0.16%)	0.717788165	-	-0.238525002
4	BD(1)N13(C1) 13s(34.15%)p1.93(65.79%)d0.00(0.06%)	1.303163699	-	-0.539365097
5	BD(1)C1(H28) 1s(24.07%)p3.15(75.83%)d0.00(0.10%)	1.213302097	-	-0.315526921
6	BD(1)H28(C1) 28s(99.96%)p0.00(0.04%)	0.777926579	-	-0.127455463
7	BD(1)C1(H29) 1s(23.47%)p3.26(76.43%)d0.00(0.09%)	1.216443073	-	-0.311860755
8	BD(1)H29(C1) 29s(99.96%)p0.00(0.04%)	0.769649090	-	-0.118318945
9	BD(1)C2(C3) 2s(35.35%)p1.83(64.58%)d0.00(0.07%)	1.022525759	-	-0.200064971
10	BD(1)C3(C2) 3s(35.55%)p1.81(64.34%)d0.00(0.11%)	0.974517774	-	-0.172367870
11	BD(2)C2(C3) 2s(0.03%)p99.99(99.96%)d0.67(0.02%)	1.071429112	-	-0.240488956
12	BD(2)C3(C2) 3s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.992438045	-	-0.229675235
13	BD(1)C2(C7) 2s(35.14%)p1.84(64.79%)d0.00(0.07%)	1.021619675	-	-0.200413498
14	BD(1)C7(C2) 7s(35.51%)p1.81(64.37%)d0.00(0.11%)	0.976126189	-	-0.173201664
15	BD(1)C3(C4) 3s(35.92%)p1.78(63.98%)d0.00(0.11%)	1.008314957	-	-0.184196323
16	BD(1)C4(C3) 4s(35.41%)p1.82(64.47%)d0.00(0.12%)	0.984252187	-	-0.170836291
17	BD(1)C3(H12) 3s(28.39%)p2.52(71.56%)d0.00(0.04%)	1.205595902	-	-0.252273101
18	BD(1)H12(C3) 12s(99.96%)p0.00(0.04%)	0.787209531	-	-0.066429662
19	BD(1)C4(C5) 4s(35.69%)p1.80(64.20%)d0.00(0.11%)	1.000700078	-	-0.174244441
20	BD(1)C5(C4) 5s(35.57%)p1.81(64.31%)d0.00(0.11%)	0.994293376	-	-0.170887399
21	BD(2)C4(C5) 4s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.970512753	-	-0.218909096
22	BD(2)C5(C4) 5s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.955373461	-	-0.216818160
23	BD(1)C4(H11) 4s(28.78%)p2.47(71.18%)d0.00(0.04%)	1.215364283	-	-0.242535886
24	BD(1)H11(C4) 11s(99.96%)p0.00(0.04%)	0.776505042	-	-0.047205589
25	BD(1)C5(C6) 5s(35.47%)p1.82(64.42%)d0.00(0.11%)	0.993788909	-	-0.171664250
26	BD(1)C6(C5) 6s(35.64%)p1.80(64.25%)d0.00(0.11%)	1.001182044	-	-0.175637784
27	BD(1)C5(H10) 5s(28.83%)p2.47(71.12%)d0.00(0.05%)	1.215471448	-	-0.239709198
28	BD(1)H10(C5) 10s(99.96%)p0.00(0.04%)	0.776538002	-	-0.043614913
29	BD(1)C6(C7) 6s(35.49%)p1.81(64.40%)d0.00(0.12%)	0.983738455	-	-0.170463075
30	BD(1)C7(C6) 7s(36.08%)p1.77(63.82%)d0.00(0.11%)	1.008648382	-	-0.183923746
31	BD(2)C6(C7) 6s(0.00%)p1.00(99.96%)d0.00(0.03%)	0.971370192	-	-0.219160728
32	BD(2)C7(C6) 7s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.992252028	-	-0.230642790
33	BD(1)C6(H9) 6s(28.75%)p2.48(71.21%)d0.00(0.04%)	1.214548280	-	-0.243064588
34	BD(1)H9(C6) 9s(99.96%)p0.00(0.04%)	0.777501155	-	-0.048526013
35	BD(1)C7(H8) 7s(28.27%)p2.54(71.69%)d0.00(0.04%)	1.201132556	-	-0.252831091
36	BD(1)H8(C7) 8s(99.96%)p0.00(0.04%)	0.791630033	-	-0.071850423
37	BD(1)N13(C14) 13s(40.00%)p1.50(59.83%)d0.00(0.16%)	1.238050045	-	-0.529426815
38	BD(1)C14(N13) 14s(31.69%)p2.15(68.20%)d0.00(0.11%)	0.766056803	-	-0.185566092
39	BD(2)N13(C14) 13s(0.01%)p99.99(99.94%)d5.10(0.05%)	1.469613191	-	-0.445347832
40	BD(2)C14(N13) 14s(0.01%)p1.00(99.86%)d0.00(0.14%)	0.750931569	-	-0.305311504
41	BD(1)N13(H27) 13s(25.72%)p2.88(74.15%)d0.00(0.13%)	1.423297659	-	-0.547183362
42	BD(1)H27(N13) 27s(99.96%)p0.00(0.04%)	0.583157330	-	-0.096826087
43	BD(1)C14(C15) 14s(39.09%)p1.56(60.85%)d0.00(0.06%)	0.999967683	-	-0.274836759
44	BD(1)C15(C14) 15s(30.82%)p2.24(69.10%)d0.00(0.08%)	0.998267102	-	-0.274197858
45	BD(1)C14(H26) 14s(29.31%)p2.41(70.63%)d0.00(0.06%)	1.208843473	-	-0.345219426
46	BD(1)H26(C14) 26s(99.96%)p0.00(0.04%)	0.781743234	-	-0.152654595
47	BD(1)C15(C16) 15s(34.20%)p1.92(65.74%)d0.00(0.06%)	1.038816111	-	-0.250709525
48	BD(1)C16(C15) 16s(34.57%)p1.89(65.32%)d0.00(0.11%)	0.954896825	-	-0.209487361
49	BD(2)C15(C16) 15s(0.00%)p1.00(99.99%)d0.00(0.01%)	1.083341400	-	-0.279088391
50	BD(2)C16(C15) 16s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.926203382	-	-0.263830941
51	BD(1)C15(C20) 15s(34.87%)p1.87(65.08%)d0.00(0.06%)	1.036358051	-	-0.253425225
52	BD(1)C20(C15) 20s(34.55%)p1.89(65.34%)d0.00(0.11%)	0.962789222	-	-0.212302993
53	BD(1)C16(C17) 16s(36.40%)p1.74(63.50%)d0.00(0.10%)	1.007102877	-	-0.219079793
54	BD(1)C17(C16) 17s(35.28%)p1.83(64.60%)d0.00(0.12%)	0.986235306	-	-0.206611647
55	BD(1)C16(H25) 16s(28.90%)p2.46(71.06%)d0.00(0.04%)	1.213695634	-	-0.290884951
56	BD(1)H25(C16) 25s(99.95%)p0.00(0.05%)	0.777897971	-	-0.095679027
57	BD(1)C17(C18) 17s(35.34%)p1.83(64.55%)d0.00(0.11%)	1.001944540	-	-0.212548816
58	BD(1)C18(C17) 18s(35.66%)p1.80(64.23%)d0.00(0.11%)	0.993547447	-	-0.209076242
59	BD(2)C17(C18) 17s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.967924796	-	-0.252575398
60	BD(2)C18(C17) 18s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.890067354	-	-0.252050073
61	BD(1)C17(H24) 17s(29.27%)p2.41(70.69%)d0.00(0.04%)	1.226106341	-	-0.279398698
62	BD(1)H24(C17) 24s(99.96%)p0.00(0.04%)	0.765325392	-	-0.073223186
63	BD(1)C18(C19) 18s(35.31%)p1.83(64.58%)d0.00(0.11%)	0.992442649	-	-0.211760020
64	BD(1)C19(C18) 19s(35.19%)p1.84(64.70%)d0.00(0.11%)	1.002916032	-	-0.216807597
65	BD(1)C18(H23) 18s(28.91%)p2.46(71.04%)d0.00(0.05%)	1.222488125	-	-0.277682666
66	BD(1)H23(C18) 23s(99.96%)p0.00(0.04%)	0.769158066	-	-0.073709470
67	BD(1)C19(C20) 19s(35.55%)p1.81(64.33%)d0.00(0.12%)	0.982511151	-	-0.205717593
68	BD(1)C20(C19) 20s(36.72%)p1.72(63.18%)d0.00(0.10%)	1.010704455	-	-0.219468429
69	BD(2)C19(C20) 19s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.961743280	-	-0.253955011
70	BD(2)C20(C19) 20s(0.00%)p1.00(99.97%)d0.00(0.03%)	0.954006717	-	-0.267569148
71	BD(1)C19(H22) 19s(29.14%)p2.43(70.82%)d0.00(0.04%)	1.224405990	-	-0.280422141
72	BD(1)H22(C19) 22s(99.96%)p0.00(0.04%)	0.767055753	-	-0.075871165
73	BD(1)C20(H21) 20s(28.58%)p2.50(71.37%)d0.00(0.05%)	1.200224663	-	-0.293148851
74	BD(1)H21(C20) 21s(99.96%)p0.00(0.04%)	0.791928815	-	-0.111218889
75	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999155082	-	-10.238274351
76	CR(1)C2 s(100.00%)p0.00(0.00%)	1.998981860	-	-10.167327137
77	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999041103	-	-10.147403216
78	CR(1)C4 s(100.00%)p0.00(0.00%)	1.999154297	-	-10.142191931
79	CR(1)C5 s(100.00%)p0.00(0.00%)	1.999156383	-	-10.141959385
80	CR(1)C6 s(100.00%)p0.00(0.00%)	1.999155482	-	-10.142907976
81	CR(1)C7 s(100.00%)p0.00(0.00%)	1.999038460	-	-10.147909272
82	CR(1)N13 s(100.00%)p0.00(0.00%)	1.999285628	-	-14.383238839
83	CR(1)C14 s(100.00%)p0.00(0.00%)	1.999172958	-	-10.286823389
84	CR(1)C15 s(100.00%)p0.00(0.00%)	1.999000812	-	-10.208067944
85	CR(1)C16 s(100.00%)p0.00(0.00%)	1.999094906	-	-10.192860361
86	CR(1)C17 s(100.00%)p0.00(0.00%)	1.999150448	-	-10.176976470
87	CR(1)C18 s(100.00%)p0.00(0.00%)	1.999168342	-	-10.186604278
88	CR(1)C19 s(100.00%)p0.00(0.00%)	1.999161910	-	-10.180014510
89	CR(1)C20 s(100.00%)p0.00(0.00%)	1.999066198	-	-10.193751458
90	RY*(1)C1 s(0.48%)p99.99(96.29%)d6.80(3.23%)	0.007663919	-	0.806263407
91	RY*(2)C1 s(17.15%)p3.63(62.21%)d1.20(20.63%)	0.002516578	-	0.893265013
92	RY*(3)C1 s(1.20%)p54.86(66.09%)d27.15(32.70%)	0.001160740	-	0.974129310
93	RY*(4)C1 s(11.97%)p2.33(27.85%)d5.03(60.18%)	0.000684605	-	1.467905218
94	RY*(5)C1 s(1.74%)p28.06(48.89%)d28.34(49.37%)	0.000530162	-	1.491939620
95	RY*(6)C1 s(15.61%)p2.20(34.30%)d3.21(50.09%)	0.000359207	-	0.982875562
96	RY*(7)C1 s(22.11%)p1.84(40.79%)d1.68(37.11%)	0.000257786	-	2.489358752
97	RY*(8)C1 s(20.37%)p1.25(25.44%)d2.66(54.18%)	0.000197168	-	1.052652111
98	RY*(9)C1 s(1.87%)p11.52(21.54%)d40.95(76.59%)	0.000140900	-	1.145651099
99	RY*(10)C1 s(16.78%)p1.22(20.55%)d3.74(62.68%)	0.000139190	-	2.148622699
100	RY*(11)C1 s(22.79%)p1.96(44.66%)d1.43(32.55%)	0.000089235	-	1.350273537
101	RY*(12)C1 s(14.46%)p4.72(68.23%)d1.20(17.31%)	0.000050420	-	2.594707713
102	RY*(13)C1 s(1.10%)p25.88(28.51%)d63.89(70.39%)	0.000026863	-	2.736675768
103	RY*(14)C1 s(12.24%)p3.53(43.19%)d3.64(44.57%)	0.000013669	-	1.602722435
104	RY*(15)C1 s(4.62%)p13.08(60.43%)d7.57(34.95%)	0.000007700	-	2.187643554
105	RY*(16)C1 s(95.91%)p0.02(1.89%)d0.02(2.20%)	0.000001422	-	21.659286226
106	RY*(17)C1 s(1.84%)p46.81(86.17%)d6.52(11.99%)	0.000004253	-	3.047827736
107	RY*(18)C1 s(5.12%)p0.41(2.10%)d18.14(92.78%)	0.000004676	-	3.251708093
108	RY*(19)C1 s(18.93%)p2.79(52.74%)d1.50(28.32%)	0.000006270	-	1.028231143
109	RY*(20)C1 s(5.44%)p3.51(19.10%)d13.87(75.46%)	0.000009042	-	2.599993725
110	RY*(21)C1 s(7.50%)p4.96(37.21%)d7.37(55.28%)	0.000009335	-	1.201449092
111	RY*(22)C1 s(0.68%)p18.21(12.35%)d99.99(86.98%)	0.000006784	-	3.051852976
112	RY*(1)C2 s(1.87%)p47.37(88.66%)d5.06(9.47%)	0.006445314	-	1.211638338
113	RY*(2)C2 s(0.73%)p99.99(90.29%)d12.39(8.99%)	0.003341035	-	1.105140439
114	RY*(3)C2 s(8.86%)p9.16(81.09%)d1.13(10.05%)	0.002335611	-	0.683242511
115	RY*(4)C2 s(7.74%)p4.36(33.73%)d7.56(58.53%)	0.001181093	-	2.214669228
116	RY*(5)C2 s(18.33%)p1.12(20.56%)d3.33(61.12%)	0.001084098	-	2.086521841
117	RY*(6)C2 s(2.64%)p0.78(2.06%)d36.14(95.30%)	0.000534049	-	2.600199652
118	RY*(7)C2 s(42.56%)p0.35(14.87%)d1.00(42.57%)	0.000439328	-	1.438739688
119	RY*(8)C2 s(31.38%)p0.66(20.71%)d1.53(47.91%)	0.000293101	-	1.638619924
120	RY*(9)C2 s(4.37%)p7.27(31.81%)d14.59(63.81%)	0.000134950	-	1.961892494
121	RY*(10)C2 s(45.86%)p0.34(15.64%)d0.84(38.49%)	0.000114516	-	3.294779093
122	RY*(11)C2 s(14.20%)p4.30(61.09%)d1.74(24.71%)	0.000074035	-	2.788092630
123	RY*(12)C2 s(6.51%)p1.89(12.29%)d12.46(81.20%)	0.000067685	-	2.606047574
124	RY*(13)C2 s(3.91%)p20.94(81.92%)d3.62(14.17%)	0.000036733	-	2.704961204
125	RY*(14)C2 s(0.75%)p15.91(11.88%)d99.99(87.38%)	0.000044707	-	2.635968508
126	RY*(15)C2 s(2.11%)p29.24(61.58%)d17.25(36.32%)	0.000044972	-	1.341107863
127	RY*(16)C2 s(96.32%)p0.02(1.67%)d0.02(2.02%)	0.000002014	-	18.814786500
128	RY*(17)C2 s(1.44%)p21.52(30.88%)d47.16(67.68%)	0.000005001	-	1.351010078
129	RY*(18)C2 s(0.37%)p99.99(57.98%)d99.99(41.65%)	0.000009971	-	1.718185620
130	RY*(19)C2 s(1.27%)p66.22(84.36%)d11.28(14.37%)	0.000008429	-	1.994506247
131	RY*(20)C2 s(2.49%)p3.97(9.88%)d35.20(87.63%)	0.000010645	-	2.514232951
132	RY*(21)C2 s(3.25%)p0.77(2.49%)d28.98(94.26%)	0.000002799	-	3.255234369
133	RY*(22)C2 s(3.13%)p27.10(84.70%)d3.89(12.17%)	0.000010832	-	2.099062789
134	RY*(1)C3 s(0.17%)p99.99(90.37%)d56.03(9.46%)	0.006308155	-	1.201108049
135	RY*(2)C3 s(0.54%)p99.99(97.23%)d4.11(2.23%)	0.002171364	-	1.036184909
136	RY*(3)C3 s(0.29%)p99.99(80.66%)d65.05(19.04%)	0.001103484	-	0.565339489
137	RY*(4)C3 s(46.42%)p0.14(6.60%)d1.01(46.98%)	0.000927925	-	1.716724335
138	RY*(5)C3 s(5.56%)p8.18(45.50%)d8.80(48.94%)	0.000503152	-	1.626115459
139	RY*(6)C3 s(4.48%)p1.84(8.24%)d19.50(87.29%)	0.000440881	-	2.082947625
140	RY*(7)C3 s(24.29%)p1.11(26.85%)d2.01(48.86%)	0.000323360	-	1.647762495
141	RY*(8)C3 s(18.75%)p1.86(34.89%)d2.47(46.36%)	0.000168255	-	1.875093411
142	RY*(9)C3 s(52.46%)p0.37(19.43%)d0.54(28.11%)	0.000069836	-	1.382172169
143	RY*(10)C3 s(15.29%)p3.79(57.88%)d1.76(26.84%)	0.000065151	-	2.490979675
144	RY*(11)C3 s(5.60%)p3.98(22.29%)d12.88(72.11%)	0.000037228	-	2.210567072
145	RY*(12)C3 s(2.69%)p14.21(38.18%)d22.00(59.13%)	0.000035635	-	2.398658723
146	RY*(13)C3 s(6.67%)p8.54(56.99%)d5.45(36.34%)	0.000011292	-	2.328676546
147	RY*(14)C3 s(0.87%)p5.91(5.15%)d99.99(93.97%)	0.000014292	-	1.929847634
148	RY*(15)C3 s(0.16%)p99.99(97.23%)d16.59(2.62%)	0.000001208	-	2.756048149
149	RY*(16)C3 s(0.04%)p99.99(43.77%)d99.99(56.19%)	0.000005845	-	2.219102848
150	RY*(17)C3 s(10.79%)p4.03(43.47%)d4.24(45.74%)	0.000009269	-	1.485366284
151	RY*(18)C3 s(1.01%)p18.20(18.44%)d79.52(80.55%)	0.000001088	-	2.809771627
152	RY*(19)C3 s(91.76%)p0.06(5.67%)d0.03(2.57%)	0.000002629	-	19.673860608
153	RY*(20)C3 s(5.72%)p0.81(4.63%)d15.68(89.65%)	0.000002248	-	3.323967107
154	RY*(21)C3 s(2.28%)p39.30(89.58%)d3.57(8.14%)	0.000010674	-	0.423220392
155	RY*(22)C3 s(4.29%)p1.66(7.11%)d20.63(88.59%)	0.000006804	-	2.977884315
156	RY*(1)C4 s(0.41%)p99.99(90.62%)d22.08(8.98%)	0.006774119	-	1.148953443
157	RY*(2)C4 s(0.23%)p99.99(99.44%)d1.43(0.33%)	0.002227917	-	1.210239374
158	RY*(3)C4 s(18.25%)p3.15(57.50%)d1.33(24.24%)	0.000764791	-	0.796991226
159	RY*(4)C4 s(41.44%)p0.69(28.76%)d0.72(29.80%)	0.000720902	-	1.268189441
160	RY*(5)C4 s(1.41%)p27.51(38.90%)d42.22(59.69%)	0.000554254	-	1.680358540
161	RY*(6)C4 s(0.21%)p9.67(2.00%)d99.99(97.79%)	0.000364350	-	2.734497174
162	RY*(7)C4 s(46.90%)p0.24(11.29%)d0.89(41.81%)	0.000176796	-	2.187121454
163	RY*(8)C4 s(20.46%)p0.21(4.20%)d3.68(75.34%)	0.000113734	-	1.662831259
164	RY*(9)C4 s(28.19%)p1.00(28.09%)d1.55(43.72%)	0.000068889	-	1.542914348
165	RY*(10)C4 s(6.96%)p12.56(87.36%)d0.82(5.68%)	0.000044899	-	2.267336478
166	RY*(11)C4 s(2.35%)p13.87(32.56%)d27.74(65.09%)	0.000032743	-	2.453404738
167	RY*(12)C4 s(6.21%)p12.58(78.08%)d2.53(15.72%)	0.000007245	-	2.903072746
168	RY*(13)C4 s(21.03%)p0.70(14.68%)d3.06(64.30%)	0.000005837	-	2.376420395
169	RY*(14)C4 s(0.12%)p68.84(8.46%)d99.99(91.42%)	0.000004743	-	3.132910016
170	RY*(15)C4 s(0.04%)p99.99(97.57%)d64.31(2.39%)	0.000001825	-	0.325082288
171	RY*(16)C4 s(0.05%)p99.99(99.78%)d3.79(0.18%)	0.000001507	-	2.694105183
172	RY*(17)C4 s(95.60%)p0.03(2.63%)d0.02(1.77%)	0.000000860	-	20.091252171
173	RY*(18)C4 s(2.74%)p2.27(6.22%)d33.21(91.04%)	0.000001981	-	2.184889185
174	RY*(19)C4 s(0.13%)p99.99(15.73%)d99.99(84.14%)	0.000005107	-	1.114859271
175	RY*(20)C4 s(2.58%)p3.17(8.17%)d34.64(89.26%)	0.000002613	-	2.303501747
176	RY*(21)C4 s(3.34%)p11.29(37.73%)d17.63(58.92%)	0.000005057	-	1.599692438
177	RY*(22)C4 s(1.48%)p33.98(50.44%)d32.39(48.08%)	0.000010703	-	2.033098596
178	RY*(1)C5 s(1.53%)p58.50(89.46%)d5.90(9.02%)	0.006336687	-	1.172943152
179	RY*(2)C5 s(0.00%)p1.00(99.63%)d0.00(0.37%)	0.002137648	-	1.254386197
180	RY*(3)C5 s(0.00%)p1.00(53.51%)d0.87(46.49%)	0.000732906	-	1.242412664
181	RY*(4)C5 s(0.84%)p91.73(77.18%)d26.13(21.98%)	0.000654698	-	0.388230203
182	RY*(5)C5 s(41.07%)p0.09(3.65%)d1.35(55.28%)	0.000657372	-	1.771582356
183	RY*(6)C5 s(0.11%)p3.46(0.38%)d99.99(99.51%)	0.000347344	-	2.766921390
184	RY*(7)C5 s(64.11%)p0.14(8.69%)d0.42(27.20%)	0.000169166	-	1.981168042
185	RY*(8)C5 s(35.61%)p0.09(3.09%)d1.72(61.30%)	0.000126600	-	1.303184565
186	RY*(9)C5 s(1.43%)p51.59(73.60%)d17.51(24.97%)	0.000062760	-	2.473700622
187	RY*(10)C5 s(15.76%)p3.44(54.27%)d1.90(29.97%)	0.000054709	-	2.584525273
188	RY*(11)C5 s(5.78%)p14.87(85.95%)d1.43(8.27%)	0.000007494	-	2.799485603
189	RY*(12)C5 s(7.32%)p2.67(19.55%)d9.99(73.13%)	0.000011330	-	2.312228978
190	RY*(13)C5 s(0.47%)p99.99(86.57%)d27.47(12.96%)	0.000001724	-	0.479277124
191	RY*(14)C5 s(1.59%)p1.05(1.66%)d61.04(96.75%)	0.000003492	-	3.457951617
192	RY*(15)C5 s(93.42%)p0.04(4.15%)d0.03(2.44%)	0.000001123	-	19.812496055
193	RY*(16)C5 s(0.48%)p94.06(45.49%)d99.99(54.03%)	0.000002489	-	2.094183691
194	RY*(17)C5 s(2.13%)p44.27(94.15%)d1.75(3.72%)	0.000002925	-	2.677704935
195	RY*(18)C5 s(0.63%)p15.07(9.52%)d99.99(89.85%)	0.000003535	-	1.934810732
196	RY*(19)C5 s(0.42%)p43.35(18.01%)d99.99(81.58%)	0.000001201	-	1.318617978
197	RY*(20)C5 s(0.25%)p7.83(2.00%)d99.99(97.75%)	0.000000588	-	2.745423234
198	RY*(21)C5 s(24.57%)p0.45(10.96%)d2.62(64.47%)	0.000006193	-	2.346922656
199	RY*(22)C5 s(2.62%)p22.46(58.74%)d14.78(38.65%)	0.000005060	-	0.885604868
200	RY*(1)C6 s(0.33%)p99.99(90.39%)d28.06(9.28%)	0.006710427	-	1.145979962
201	RY*(2)C6 s(0.35%)p99.99(99.33%)d0.95(0.33%)	0.002232172	-	1.213574668
202	RY*(3)C6 s(26.04%)p1.78(46.46%)d1.06(27.50%)	0.000765884	-	0.998128205
203	RY*(4)C6 s(33.65%)p1.12(37.67%)d0.85(28.68%)	0.000708729	-	1.123587455
204	RY*(5)C6 s(1.09%)p36.52(39.67%)d54.55(59.24%)	0.000556910	-	1.662817456
205	RY*(6)C6 s(0.50%)p3.39(1.69%)d99.99(97.82%)	0.000362362	-	2.678891902
206	RY*(7)C6 s(47.11%)p0.23(10.64%)d0.90(42.25%)	0.000184104	-	2.079798330
207	RY*(8)C6 s(17.95%)p0.26(4.62%)d4.31(77.43%)	0.000115025	-	1.696741094
208	RY*(9)C6 s(33.69%)p1.06(35.60%)d0.91(30.72%)	0.000054900	-	1.310077406
209	RY*(10)C6 s(0.30%)p99.99(85.30%)d48.06(14.41%)	0.000044538	-	2.783140005
210	RY*(11)C6 s(1.13%)p26.71(30.31%)d60.41(68.56%)	0.000015060	-	1.794291501
211	RY*(12)C6 s(5.02%)p5.68(28.50%)d13.26(66.49%)	0.000023218	-	2.419828721
212	RY*(13)C6 s(2.16%)p21.75(46.91%)d23.62(50.94%)	0.000014421	-	2.054601338
213	RY*(14)C6 s(3.07%)p13.29(40.81%)d18.28(56.12%)	0.000001934	-	2.242450342
214	RY*(15)C6 s(10.64%)p0.62(6.59%)d7.78(82.78%)	0.000011014	-	3.172738995
215	RY*(16)C6 s(10.11%)p5.95(60.16%)d2.94(29.73%)	0.000007431	-	0.928508091
216	RY*(17)C6 s(1.41%)p28.82(40.54%)d41.27(58.05%)	0.000001311	-	1.360839026
217	RY*(18)C6 s(0.19%)p19.56(3.81%)d99.99(95.99%)	0.000000220	-	3.122357654
218	RY*(19)C6 s(93.95%)p0.04(3.46%)d0.03(2.60%)	0.000000569	-	19.955520656
219	RY*(20)C6 s(0.63%)p99.99(64.00%)d56.18(35.37%)	0.000001022	-	1.089894014
220	RY*(21)C6 s(10.71%)p6.98(74.79%)d1.35(14.50%)	0.000007107	-	2.912397240
221	RY*(22)C6 s(0.11%)p99.99(48.96%)d99.99(50.93%)	0.000000470	-	1.984567888
222	RY*(1)C7 s(0.25%)p99.99(90.92%)d35.83(8.83%)	0.006276828	-	1.180864842
223	RY*(2)C7 s(0.66%)p99.99(96.54%)d4.23(2.80%)	0.002142198	-	1.060952583
224	RY*(3)C7 s(0.28%)p99.99(82.43%)d62.65(17.30%)	0.001148365	-	0.524274147
225	RY*(4)C7 s(48.74%)p0.13(6.35%)d0.92(44.91%)	0.000957329	-	1.637672653
226	RY*(5)C7 s(3.12%)p14.54(45.40%)d16.49(51.48%)	0.000508105	-	1.861306569
227	RY*(6)C7 s(3.76%)p1.69(6.36%)d23.89(89.88%)	0.000410623	-	2.164745411
228	RY*(7)C7 s(25.77%)p0.78(20.15%)d2.10(54.08%)	0.000244889	-	1.601544885
229	RY*(8)C7 s(18.90%)p1.98(37.41%)d2.31(43.69%)	0.000176871	-	1.809723091
230	RY*(9)C7 s(47.88%)p0.83(39.53%)d0.26(12.59%)	0.000085122	-	0.974323738
231	RY*(10)C7 s(11.94%)p3.57(42.62%)d3.81(45.44%)	0.000060569	-	1.948729612
232	RY*(11)C7 s(6.17%)p12.61(77.82%)d2.59(16.01%)	0.000053742	-	0.782122997
233	RY*(12)C7 s(2.56%)p12.24(31.34%)d25.82(66.10%)	0.000034648	-	2.888856687
234	RY*(13)C7 s(8.55%)p2.97(25.42%)d7.73(66.03%)	0.000032058	-	2.559026283
235	RY*(14)C7 s(0.96%)p13.54(13.01%)d89.46(86.02%)	0.000002820	-	2.942372962
236	RY*(15)C7 s(1.89%)p48.62(92.10%)d3.17(6.00%)	0.000003367	-	2.722131271
237	RY*(16)C7 s(10.93%)p1.41(15.42%)d6.74(73.65%)	0.000005847	-	2.733490660
238	RY*(17)C7 s(92.28%)p0.05(4.36%)d0.04(3.35%)	0.000001886	-	19.977836402
239	RY*(18)C7 s(1.80%)p7.09(12.76%)d47.47(85.44%)	0.000003054	-	2.514705859
240	RY*(19)C7 s(4.12%)p12.70(52.36%)d10.55(43.52%)	0.000010121	-	1.518929725
241	RY*(20)C7 s(0.37%)p32.66(12.07%)d99.99(87.56%)	0.000004087	-	2.488169896
242	RY*(21)C7 s(7.51%)p9.08(68.19%)d3.24(24.30%)	0.000006102	-	2.371600504
243	RY*(22)C7 s(1.69%)p16.31(27.60%)d41.80(70.71%)	0.000008659	-	2.023742781
244	RY*(1)H8 s(99.69%)p0.00(0.31%)	0.000648520	-	1.220792688
245	RY*(2)H8 s(11.49%)p7.70(88.51%)	0.000213324	-	1.821858884
246	RY*(3)H8 s(73.09%)p0.37(26.91%)	0.000152980	-	2.041135025
247	RY*(4)H8 s(1.31%)p75.17(98.69%)	0.000053250	-	2.475275558
248	RY*(5)H8 s(14.47%)p5.91(85.53%)	0.000036978	-	2.438612350
249	RY*(1)H9 s(98.47%)p0.02(1.53%)	0.000505752	-	1.037329123
250	RY*(2)H9 s(2.90%)p33.50(97.10%)	0.000195715	-	1.821560337
251	RY*(3)H9 s(88.97%)p0.12(11.03%)	0.000168644	-	2.057525700
252	RY*(4)H9 s(0.75%)p99.99(99.25%)	0.000050245	-	2.454085680
253	RY*(5)H9 s(8.97%)p10.15(91.03%)	0.000035674	-	2.543381867
254	RY*(1)H10 s(94.97%)p0.05(5.03%)	0.000340764	-	1.138533976
255	RY*(2)H10 s(0.45%)p99.99(99.55%)	0.000190585	-	1.817789751
256	RY*(3)H10 s(94.98%)p0.05(5.02%)	0.000165610	-	2.049254203
257	RY*(4)H10 s(0.00%)p1.00(100.00%)	0.000047305	-	2.453348096
258	RY*(5)H10 s(9.64%)p9.37(90.36%)	0.000027522	-	2.474533129
259	RY*(1)H11 s(98.35%)p0.02(1.65%)	0.000501183	-	1.044984404
260	RY*(2)H11 s(4.05%)p23.71(95.95%)	0.000196798	-	1.823507590
261	RY*(3)H11 s(87.73%)p0.14(12.27%)	0.000168561	-	2.053945423
262	RY*(4)H11 s(4.86%)p19.56(95.14%)	0.000039727	-	2.508457771
263	RY*(5)H11 s(5.05%)p18.79(94.95%)	0.000046387	-	2.483501471
264	RY*(1)H12 s(99.44%)p0.01(0.56%)	0.000654572	-	1.210739847
265	RY*(2)H12 s(0.77%)p99.99(99.23%)	0.000196247	-	1.830462276
266	RY*(3)H12 s(81.95%)p0.22(18.05%)	0.000156497	-	2.049434958
267	RY*(4)H12 s(0.26%)p99.99(99.74%)	0.000047969	-	2.468016104
268	RY*(5)H12 s(17.62%)p4.68(82.38%)	0.000041192	-	2.413908178
269	RY*(1)N13 s(9.79%)p8.50(83.19%)d0.72(7.02%)	0.003139399	-	0.948080583
270	RY*(2)N13 s(0.51%)p99.99(93.73%)d11.25(5.75%)	0.002723574	-	0.887351476
271	RY*(3)N13 s(17.04%)p3.81(64.98%)d1.05(17.97%)	0.001012083	-	1.046019685
272	RY*(4)N13 s(48.15%)p0.87(41.66%)d0.21(10.19%)	0.000781432	-	1.356825557
273	RY*(5)N13 s(7.58%)p4.33(32.83%)d7.86(59.59%)	0.000407569	-	2.023135267
274	RY*(6)N13 s(3.03%)p10.52(31.89%)d21.47(65.08%)	0.000359311	-	1.699611309
275	RY*(7)N13 s(17.45%)p2.31(40.34%)d2.42(42.20%)	0.000261801	-	1.762109639
276	RY*(8)N13 s(7.43%)p7.52(55.88%)d4.94(36.69%)	0.000204723	-	1.429577325
277	RY*(9)N13 s(8.49%)p3.64(30.93%)d7.13(60.58%)	0.000110753	-	2.170174162
278	RY*(10)N13 s(25.23%)p1.01(25.36%)d1.96(49.42%)	0.000083545	-	1.615103616
279	RY*(11)N13 s(6.18%)p12.25(75.76%)d2.92(18.06%)	0.000061300	-	1.807304457
280	RY*(12)N13 s(2.20%)p17.80(39.09%)d26.74(58.72%)	0.000031964	-	4.070883247
281	RY*(13)N13 s(4.54%)p6.58(29.90%)d14.44(65.56%)	0.000017640	-	2.498058810
282	RY*(14)N13 s(6.86%)p9.45(64.84%)d4.13(28.30%)	0.000010644	-	3.203306157
283	RY*(15)N13 s(24.25%)p0.21(5.18%)d2.91(70.57%)	0.000012167	-	2.417740121
284	RY*(16)N13 s(1.68%)p8.95(15.02%)d49.63(83.30%)	0.000013334	-	4.348959244
285	RY*(17)N13 s(5.35%)p1.79(9.58%)d15.89(85.07%)	0.000004102	-	1.322841856
286	RY*(18)N13 s(1.40%)p43.13(60.35%)d27.34(38.25%)	0.000012242	-	3.774988535
287	RY*(19)N13 s(98.76%)p0.01(0.71%)d0.01(0.54%)	0.000000108	-	34.609570136
288	RY*(20)N13 s(2.05%)p44.72(91.86%)d2.96(6.08%)	0.000000500	-	3.684522040
289	RY*(21)N13 s(0.19%)p12.11(2.33%)d99.99(97.48%)	0.000001594	-	4.447807480
290	RY*(22)N13 s(1.94%)p2.51(4.87%)d47.99(93.19%)	0.000004845	-	4.452758066
291	RY*(1)C14 s(3.54%)p25.38(89.86%)d1.86(6.60%)	0.006522958	-	1.019105531
292	RY*(2)C14 s(2.05%)p46.53(95.57%)d1.15(2.37%)	0.003254025	-	1.032192997
293	RY*(3)C14 s(0.81%)p25.27(20.38%)d97.72(78.81%)	0.001877163	-	1.428179023
294	RY*(4)C14 s(66.64%)p0.21(13.69%)d0.30(19.68%)	0.000929565	-	0.835064658
295	RY*(5)C14 s(3.52%)p21.46(75.54%)d5.95(20.94%)	0.000550599	-	0.658665577
296	RY*(6)C14 s(7.51%)p1.76(13.23%)d10.56(79.26%)	0.000447745	-	1.773101281
297	RY*(7)C14 s(11.11%)p2.34(26.04%)d5.66(62.85%)	0.000391094	-	1.829151141
298	RY*(8)C14 s(6.35%)p8.38(53.25%)d6.36(40.40%)	0.000333403	-	2.085895475
299	RY*(9)C14 s(0.87%)p49.84(43.60%)d63.47(55.53%)	0.000240813	-	0.749829332
300	RY*(10)C14 s(22.78%)p1.62(36.92%)d1.77(40.30%)	0.000159136	-	1.938673446
301	RY*(11)C14 s(34.27%)p1.06(36.37%)d0.86(29.36%)	0.000089767	-	1.917869280
302	RY*(12)C14 s(13.35%)p3.77(50.36%)d2.72(36.28%)	0.000057218	-	4.586828043
303	RY*(13)C14 s(4.10%)p12.14(49.72%)d11.27(46.18%)	0.000059464	-	1.685391126
304	RY*(14)C14 s(11.34%)p5.43(61.56%)d2.39(27.10%)	0.000030331	-	3.251749222
305	RY*(15)C14 s(32.73%)p0.90(29.50%)d1.15(37.76%)	0.000015273	-	1.432219350
306	RY*(16)C14 s(0.04%)p53.08(2.12%)d99.99(97.84%)	0.000010859	-	2.600610882
307	RY*(17)C14 s(71.25%)p0.36(25.88%)d0.04(2.87%)	0.000004486	-	15.179748720
308	RY*(18)C14 s(0.59%)p5.30(3.15%)d99.99(96.25%)	0.000001173	-	3.154065859
309	RY*(19)C14 s(2.82%)p23.56(66.33%)d10.96(30.86%)	0.000006470	-	2.505978281
310	RY*(20)C14 s(0.77%)p8.46(6.48%)d99.99(92.75%)	0.000008349	-	3.179034566
311	RY*(21)C14 s(2.62%)p35.44(92.71%)d1.79(4.68%)	0.000000920	-	2.870559363
312	RY*(22)C14 s(0.84%)p9.76(8.19%)d99.99(90.97%)	0.000006143	-	2.934793139
313	RY*(1)C15 s(1.02%)p91.10(92.84%)d6.02(6.14%)	0.007066178	-	1.262175713
314	RY*(2)C15 s(1.48%)p58.48(86.70%)d7.97(11.82%)	0.004461221	-	1.257926094
315	RY*(3)C15 s(1.63%)p13.69(22.29%)d46.71(76.08%)	0.001123850	-	2.686123926
316	RY*(4)C15 s(9.97%)p1.13(11.24%)d7.90(78.78%)	0.000987451	-	2.280773211
317	RY*(5)C15 s(0.14%)p99.99(80.72%)d99.99(19.14%)	0.000756593	-	0.590118415
318	RY*(6)C15 s(75.66%)p0.09(7.06%)d0.23(17.27%)	0.000622074	-	1.347444932
319	RY*(7)C15 s(0.76%)p5.16(3.91%)d99.99(95.33%)	0.000542501	-	2.238817290
320	RY*(8)C15 s(0.28%)p34.04(9.58%)d99.99(90.14%)	0.000308655	-	1.759850810
321	RY*(9)C15 s(5.85%)p3.22(18.81%)d12.88(75.34%)	0.000184306	-	2.618430460
322	RY*(10)C15 s(24.93%)p1.64(40.95%)d1.37(34.12%)	0.000115506	-	2.522448298
323	RY*(11)C15 s(29.72%)p0.32(9.57%)d2.04(60.71%)	0.000085924	-	2.365018174
324	RY*(12)C15 s(34.86%)p0.78(27.14%)d1.09(38.00%)	0.000069239	-	1.993055691
325	RY*(13)C15 s(1.01%)p47.02(47.31%)d51.36(51.68%)	0.000044963	-	2.111511960
326	RY*(14)C15 s(7.84%)p10.24(80.36%)d1.50(11.80%)	0.000027854	-	1.822723045
327	RY*(15)C15 s(0.41%)p99.99(75.17%)d60.11(24.42%)	0.000025025	-	1.310230099
328	RY*(16)C15 s(0.82%)p13.14(10.81%)d99.99(88.37%)	0.000003570	-	2.830300702
329	RY*(17)C15 s(0.12%)p99.99(77.77%)d99.99(22.11%)	0.000006745	-	1.407973674
330	RY*(18)C15 s(0.06%)p99.99(98.24%)d30.81(1.70%)	0.000000679	-	2.399012957
331	RY*(19)C15 s(4.73%)p5.01(23.70%)d15.12(71.56%)	0.000007084	-	2.580862058
332	RY*(20)C15 s(2.00%)p35.29(70.66%)d13.66(27.34%)	0.000008060	-	2.428276410
333	RY*(21)C15 s(96.43%)p0.01(1.00%)d0.03(2.57%)	0.000005815	-	19.491340347
334	RY*(22)C15 s(0.39%)p10.94(4.26%)d99.99(95.35%)	0.000001590	-	2.012516002
335	RY*(1)C16 s(0.21%)p99.99(91.29%)d40.41(8.50%)	0.005793774	-	1.172468174
336	RY*(2)C16 s(0.41%)p99.99(95.16%)d10.87(4.43%)	0.001995277	-	1.063578416
337	RY*(3)C16 s(51.66%)p0.10(4.92%)d0.84(43.42%)	0.000879150	-	1.595217509
338	RY*(4)C16 s(0.02%)p99.99(78.67%)d99.99(21.30%)	0.000776857	-	0.608765202
339	RY*(5)C16 s(4.17%)p6.62(27.62%)d16.35(68.21%)	0.000571060	-	1.725091175
340	RY*(6)C16 s(3.60%)p6.74(24.27%)d20.03(72.13%)	0.000571300	-	1.761036130
341	RY*(7)C16 s(17.38%)p1.09(18.91%)d3.67(63.71%)	0.000229643	-	1.725097510
342	RY*(8)C16 s(16.18%)p2.48(40.21%)d2.70(43.61%)	0.000155326	-	2.708616800
343	RY*(9)C16 s(13.04%)p2.25(29.35%)d4.42(57.62%)	0.000059684	-	1.804437544
344	RY*(10)C16 s(52.93%)p0.63(33.45%)d0.26(13.62%)	0.000068229	-	0.907367373
345	RY*(11)C16 s(7.45%)p4.40(32.78%)d8.02(59.77%)	0.000056783	-	1.800520456
346	RY*(12)C16 s(14.45%)p4.23(61.18%)d1.69(24.37%)	0.000021337	-	4.060715750
347	RY*(13)C16 s(16.81%)p2.98(50.08%)d1.97(33.11%)	0.000023133	-	3.903586351
348	RY*(14)C16 s(12.19%)p4.56(55.54%)d2.65(32.26%)	0.000019279	-	2.311585335
349	RY*(15)C16 s(27.81%)p0.55(15.42%)d2.04(56.76%)	0.000015077	-	7.747082181
350	RY*(16)C16 s(3.54%)p0.68(2.39%)d26.59(94.07%)	0.000001120	-	2.775273884
351	RY*(17)C16 s(40.70%)p0.68(27.64%)d0.78(31.67%)	0.000002942	-	9.818400817
352	RY*(18)C16 s(0.58%)p27.58(16.11%)d99.99(83.30%)	0.000001253	-	2.847501517
353	RY*(19)C16 s(0.13%)p99.99(82.96%)d99.99(16.91%)	0.000001027	-	0.403154783
354	RY*(20)C16 s(11.46%)p0.67(7.71%)d7.05(80.83%)	0.000005252	-	2.957183156
355	RY*(21)C16 s(0.10%)p99.99(96.35%)d35.90(3.55%)	0.000000275	-	2.672222027
356	RY*(22)C16 s(5.32%)p1.53(8.15%)d16.26(86.53%)	0.000000488	-	3.340783280
357	RY*(1)C17 s(0.16%)p99.99(90.92%)d55.44(8.92%)	0.006546133	-	1.119800174
358	RY*(2)C17 s(0.17%)p99.99(99.39%)d2.61(0.44%)	0.002247202	-	1.184918818
359	RY*(3)C17 s(60.35%)p0.08(4.53%)d0.58(35.11%)	0.000660419	-	1.802190471
360	RY*(4)C17 s(0.00%)p1.00(78.19%)d0.28(21.80%)	0.000571938	-	0.364344042
361	RY*(5)C17 s(1.58%)p26.85(42.52%)d35.31(55.90%)	0.000561129	-	1.676070639
362	RY*(6)C17 s(0.00%)p1.00(6.15%)d15.25(93.84%)	0.000312426	-	2.663648754
363	RY*(7)C17 s(47.96%)p0.18(8.78%)d0.90(43.26%)	0.000196954	-	2.020894339
364	RY*(8)C17 s(24.78%)p0.14(3.59%)d2.89(71.63%)	0.000110223	-	1.506080499
365	RY*(9)C17 s(27.42%)p0.93(25.37%)d1.72(47.21%)	0.000069115	-	1.373695611
366	RY*(10)C17 s(2.86%)p20.90(59.74%)d13.09(37.41%)	0.000027707	-	1.610033490
367	RY*(11)C17 s(1.60%)p38.96(62.19%)d22.69(36.22%)	0.000037385	-	2.897792959
368	RY*(12)C17 s(1.37%)p71.19(97.45%)d0.86(1.18%)	0.000000875	-	2.663524366
369	RY*(13)C17 s(94.86%)p0.04(4.03%)d0.01(1.11%)	0.000000722	-	19.800906629
370	RY*(14)C17 s(21.18%)p0.66(13.88%)d3.07(64.94%)	0.000008087	-	2.593133836
371	RY*(15)C17 s(1.67%)p7.86(13.17%)d50.87(85.16%)	0.000002224	-	1.592738749
372	RY*(16)C17 s(3.39%)p13.75(46.66%)d14.72(49.95%)	0.000007325	-	1.944071067
373	RY*(17)C17 s(0.24%)p66.43(16.15%)d99.99(83.60%)	0.000002472	-	2.203133400
374	RY*(18)C17 s(0.14%)p65.04(9.24%)d99.99(90.62%)	0.000000900	-	1.504992412
375	RY*(19)C17 s(6.06%)p9.42(57.13%)d6.07(36.80%)	0.000008206	-	2.496139686
376	RY*(20)C17 s(2.81%)p26.02(72.98%)d8.63(24.22%)	0.000005195	-	2.318087264
377	RY*(21)C17 s(0.19%)p99.99(85.17%)d77.10(14.64%)	0.000000537	-	0.641846240
378	RY*(22)C17 s(1.32%)p2.27(2.99%)d72.53(95.69%)	0.000000853	-	3.059700830
379	RY*(1)C18 s(1.22%)p73.95(89.98%)d7.24(8.81%)	0.006319392	-	1.116645398
380	RY*(2)C18 s(0.00%)p1.00(99.43%)d0.01(0.57%)	0.002077305	-	1.211728350
381	RY*(3)C18 s(0.18%)p99.99(50.27%)d99.99(49.55%)	0.000734401	-	1.207954529
382	RY*(4)C18 s(38.66%)p0.08(3.11%)d1.51(58.23%)	0.000628228	-	1.770173177
383	RY*(5)C18 s(0.01%)p99.99(70.50%)d99.99(29.49%)	0.000458545	-	0.394412810
384	RY*(6)C18 s(0.00%)p1.00(0.02%)d99.99(99.98%)	0.000365247	-	2.601822081
385	RY*(7)C18 s(65.49%)p0.11(7.00%)d0.42(27.51%)	0.000167883	-	2.078507309
386	RY*(8)C18 s(38.45%)p0.12(4.70%)d1.48(56.85%)	0.000130278	-	1.171266440
387	RY*(9)C18 s(0.77%)p97.08(75.22%)d30.98(24.00%)	0.000053320	-	2.672041056
388	RY*(10)C18 s(15.33%)p3.93(60.21%)d1.60(24.46%)	0.000047944	-	2.841890621
389	RY*(11)C18 s(0.12%)p99.99(18.52%)d99.99(81.36%)	0.000021500	-	2.647113786
390	RY*(12)C18 s(0.50%)p99.99(98.49%)d2.02(1.01%)	0.000000669	-	2.606361884
391	RY*(13)C18 s(2.05%)p24.72(50.60%)d23.13(47.35%)	0.000002315	-	1.177596531
392	RY*(14)C18 s(8.36%)p7.78(65.06%)d3.18(26.57%)	0.000010618	-	2.619787668
393	RY*(15)C18 s(1.63%)p17.02(27.66%)d43.50(70.71%)	0.000002119	-	1.254589395
394	RY*(16)C18 s(0.55%)p14.23(7.87%)d99.99(91.58%)	0.000000315	-	2.795806977
395	RY*(17)C18 s(92.56%)p0.02(2.25%)d0.06(5.19%)	0.000001981	-	19.334525530
396	RY*(18)C18 s(8.74%)p0.32(2.77%)d10.12(88.49%)	0.000000894	-	2.378528036
397	RY*(19)C18 s(15.64%)p1.27(19.81%)d4.13(64.54%)	0.000003336	-	2.394627610
398	RY*(20)C18 s(8.63%)p5.71(49.27%)d4.88(42.10%)	0.000002017	-	1.973265266
399	RY*(21)C18 s(0.32%)p99.99(96.17%)d11.12(3.51%)	0.000000323	-	0.384882160
400	RY*(22)C18 s(0.92%)p1.40(1.29%)d99.99(97.79%)	0.000002180	-	2.519499280
401	RY*(1)C19 s(0.12%)p99.99(90.69%)d77.85(9.19%)	0.006511351	-	1.098522973
402	RY*(2)C19 s(0.37%)p99.99(99.32%)d0.84(0.31%)	0.002230203	-	1.167104829
403	RY*(3)C19 s(57.20%)p0.08(4.85%)d0.66(37.95%)	0.000697429	-	1.791636869
404	RY*(4)C19 s(0.03%)p99.99(72.69%)d99.99(27.28%)	0.000547845	-	0.371761876
405	RY*(5)C19 s(2.85%)p13.69(38.97%)d20.44(58.18%)	0.000526478	-	1.780858552
406	RY*(6)C19 s(0.02%)p99.99(3.39%)d99.99(96.58%)	0.000307562	-	2.644740705
407	RY*(7)C19 s(48.62%)p0.20(9.89%)d0.85(41.48%)	0.000166124	-	2.341000951
408	RY*(8)C19 s(25.72%)p0.15(3.91%)d2.74(70.37%)	0.000109908	-	1.594638167
409	RY*(9)C19 s(29.09%)p1.24(36.12%)d1.20(34.79%)	0.000058732	-	1.191969872
410	RY*(10)C19 s(0.17%)p99.99(24.91%)d99.99(74.92%)	0.000028528	-	1.003628361
411	RY*(11)C19 s(0.99%)p38.18(37.78%)d61.87(61.23%)	0.000036803	-	3.121880287
412	RY*(12)C19 s(0.38%)p99.99(89.11%)d27.47(10.51%)	0.000000810	-	2.569046805
413	RY*(13)C19 s(0.37%)p99.99(63.75%)d96.34(35.87%)	0.000006788	-	1.558961510
414	RY*(14)C19 s(0.66%)p89.30(58.49%)d62.36(40.85%)	0.000008425	-	1.944541654
415	RY*(15)C19 s(97.26%)p0.00(0.36%)d0.02(2.38%)	0.000001909	-	20.072345950
416	RY*(16)C19 s(1.91%)p11.11(21.18%)d40.37(76.92%)	0.000001953	-	1.878546161
417	RY*(17)C19 s(8.27%)p6.93(57.31%)d4.16(34.42%)	0.000004739	-	0.790118273
418	RY*(18)C19 s(0.16%)p32.32(5.18%)d99.99(94.66%)	0.000001406	-	3.131586952
419	RY*(19)C19 s(9.23%)p9.16(84.52%)d0.68(6.25%)	0.000006930	-	3.015105679
420	RY*(20)C19 s(15.65%)p0.55(8.56%)d4.84(75.78%)	0.000008938	-	2.831809385
421	RY*(21)C19 s(0.45%)p99.99(85.90%)d30.52(13.66%)	0.000002719	-	0.447585010
422	RY*(22)C19 s(0.59%)p5.60(3.31%)d99.99(96.10%)	0.000001133	-	2.703965886
423	RY*(1)C20 s(0.24%)p99.99(90.71%)d37.92(9.05%)	0.005399376	-	1.189191941
424	RY*(2)C20 s(0.36%)p99.99(94.50%)d14.24(5.14%)	0.002088857	-	1.197446631
425	RY*(3)C20 s(0.01%)p99.99(78.12%)d99.99(21.86%)	0.000962013	-	0.548856030
426	RY*(4)C20 s(61.58%)p0.12(7.32%)d0.51(31.10%)	0.000876268	-	1.443383797
427	RY*(5)C20 s(4.61%)p9.95(45.83%)d10.76(49.56%)	0.000540364	-	1.826255021
428	RY*(6)C20 s(0.00%)p1.00(1.29%)d76.38(98.71%)	0.000432932	-	1.899048279
429	RY*(7)C20 s(23.08%)p0.48(11.16%)d2.85(65.77%)	0.000212961	-	1.436972242
430	RY*(8)C20 s(7.01%)p5.85(40.99%)d7.42(52.00%)	0.000174972	-	2.589762778
431	RY*(9)C20 s(0.11%)p99.99(86.96%)d99.99(12.93%)	0.000074434	-	0.711715968
432	RY*(10)C20 s(18.53%)p1.59(29.54%)d2.80(51.93%)	0.000063749	-	1.827045645
433	RY*(11)C20 s(48.72%)p0.38(18.56%)d0.67(32.72%)	0.000048085	-	1.916705142
434	RY*(12)C20 s(20.66%)p0.54(11.18%)d3.30(68.16%)	0.000020909	-	3.367475535
435	RY*(13)C20 s(14.69%)p2.26(33.23%)d3.55(52.08%)	0.000030518	-	3.038568631
436	RY*(14)C20 s(0.76%)p83.39(63.46%)d47.02(35.78%)	0.000018642	-	1.307009055
437	RY*(15)C20 s(1.80%)p32.97(59.46%)d21.48(38.74%)	0.000018764	-	1.928721209
438	RY*(16)C20 s(4.34%)p18.12(78.66%)d3.91(17.00%)	0.000024015	-	3.144709513
439	RY*(17)C20 s(2.62%)p6.90(18.11%)d30.22(79.26%)	0.000001322	-	1.461253958
440	RY*(18)C20 s(1.43%)p2.32(3.33%)d66.42(95.23%)	0.000000869	-	2.379033459
441	RY*(19)C20 s(0.69%)p99.99(98.27%)d1.49(1.04%)	0.000000314	-	2.743411307
442	RY*(20)C20 s(86.19%)p0.09(7.34%)d0.08(6.47%)	0.000002853	-	18.281833680
443	RY*(21)C20 s(1.66%)p11.74(19.53%)d47.36(78.80%)	0.000002541	-	2.369706963
444	RY*(22)C20 s(1.05%)p2.46(2.58%)d91.84(96.37%)	0.000001112	-	3.168208094
445	RY*(1)H21 s(97.78%)p0.02(2.22%)	0.000786797	-	1.456853735
446	RY*(2)H21 s(0.52%)p99.99(99.48%)	0.000200190	-	1.790071753
447	RY*(3)H21 s(83.61%)p0.20(16.39%)	0.000147623	-	1.840022778
448	RY*(4)H21 s(13.62%)p6.34(86.38%)	0.000050713	-	2.418862531
449	RY*(5)H21 s(4.51%)p21.18(95.49%)	0.000033430	-	2.373075719
450	RY*(1)H22 s(97.92%)p0.02(2.08%)	0.000448459	-	1.088831964
451	RY*(2)H22 s(0.13%)p99.99(99.87%)	0.000192603	-	1.787243187
452	RY*(3)H22 s(91.64%)p0.09(8.36%)	0.000169033	-	2.011225078
453	RY*(4)H22 s(0.33%)p99.99(99.67%)	0.000043791	-	2.430966450
454	RY*(5)H22 s(10.02%)p8.98(89.98%)	0.000031621	-	2.486233906
455	RY*(1)H23 s(93.15%)p0.07(6.85%)	0.000291870	-	1.154024205
456	RY*(2)H23 s(0.03%)p99.99(99.97%)	0.000176893	-	1.781348741
457	RY*(3)H23 s(95.56%)p0.05(4.44%)	0.000165981	-	2.023228978
458	RY*(4)H23 s(0.01%)p1.00(99.99%)	0.000045344	-	2.424750063
459	RY*(5)H23 s(11.30%)p7.85(88.70%)	0.000026858	-	2.392181848
460	RY*(1)H24 s(98.08%)p0.02(1.92%)	0.000458139	-	1.082014333
461	RY*(2)H24 s(0.00%)p1.00(100.00%)	0.000195794	-	1.789603447
462	RY*(3)H24 s(91.42%)p0.09(8.58%)	0.000167392	-	2.004999287
463	RY*(4)H24 s(3.10%)p31.28(96.90%)	0.000041329	-	2.436662916
464	RY*(5)H24 s(7.44%)p12.44(92.56%)	0.000036116	-	2.473750741
465	RY*(1)H25 s(99.55%)p0.00(0.45%)	0.000501963	-	1.217138194
466	RY*(2)H25 s(0.00%)p1.00(100.00%)	0.000182117	-	1.793295397
467	RY*(3)H25 s(80.84%)p0.24(19.16%)	0.000144263	-	1.977138001
468	RY*(4)H25 s(8.21%)p11.18(91.79%)	0.000053087	-	2.434949726
469	RY*(5)H25 s(11.44%)p7.74(88.56%)	0.000036832	-	2.383738206
470	RY*(1)H26 s(98.34%)p0.02(1.66%)	0.000841180	-	1.149147940
471	RY*(2)H26 s(64.25%)p0.56(35.75%)	0.000117054	-	2.239896712
472	RY*(3)H26 s(0.20%)p99.99(99.80%)	0.000119315	-	1.729835325
473	RY*(4)H26 s(18.53%)p4.40(81.47%)	0.000041224	-	2.323860581
474	RY*(5)H26 s(18.73%)p4.34(81.27%)	0.000023001	-	2.270740450
475	RY*(1)H27 s(99.16%)p0.01(0.84%)	0.002531132	-	0.508933625
476	RY*(2)H27 s(2.25%)p43.45(97.75%)	0.000488177	-	1.799631495
477	RY*(3)H27 s(92.33%)p0.08(7.67%)	0.000360460	-	2.017516634
478	RY*(4)H27 s(0.22%)p99.99(99.78%)	0.000215470	-	2.245965013
479	RY*(5)H27 s(6.08%)p15.45(93.92%)	0.000044499	-	2.773135120
480	RY*(1)H28 s(96.11%)p0.04(3.89%)	0.000877465	-	0.828504574
481	RY*(2)H28 s(70.83%)p0.41(29.17%)	0.000102061	-	2.031489683
482	RY*(3)H28 s(17.37%)p4.76(82.63%)	0.000095173	-	2.249528028
483	RY*(4)H28 s(3.26%)p29.69(96.74%)	0.000069809	-	2.133277541
484	RY*(5)H28 s(12.48%)p7.02(87.52%)	0.000039216	-	2.407584982
485	RY*(1)H29 s(95.38%)p0.05(4.62%)	0.000808086	-	0.814306272
486	RY*(2)H29 s(69.91%)p0.43(30.09%)	0.000118701	-	2.168524348
487	RY*(3)H29 s(2.76%)p35.23(97.24%)	0.000101872	-	2.121641471
488	RY*(4)H29 s(9.87%)p9.13(90.13%)	0.000044121	-	2.251182396
489	RY*(5)H29 s(22.11%)p3.52(77.89%)	0.000046628	-	2.208730236

Natural Bond Orbitals


Orbital	Description	NHOs	Occupancy	Spin	Energy ()	Actions
1	BD(1)C1-C2	469, 470	1.972293806	-	-0.782076313
2	BD(1)C1-N13	471, 472	1.984255421	-	-0.910955237
3	BD(1)C1-H28	473, 474	1.978082435	-	-0.673363480
4	BD(1)C1-H29	475, 476	1.971924064	-	-0.665579306
5	BD(1)C2-C3	477, 478	1.973112400	-	-0.820895417
6	BD(2)C2-C3	479, 480	1.683901266	-	-0.377402791
7	BD(1)C2-C7	481, 482	1.972741051	-	-0.819512941
8	BD(1)C3-C4	483, 484	1.977487809	-	-0.812506606
9	BD(1)C3-H12	485, 486	1.978659480	-	-0.634970346
10	BD(1)C4-C5	487, 488	1.979503208	-	-0.809183479
11	BD(2)C4-C5	489, 490	1.630025299	-	-0.359237692
12	BD(1)C4-H11	491, 492	1.978674544	-	-0.621974450
13	BD(1)C5-C6	493, 494	1.979383698	-	-0.808033630
14	BD(1)C5-H10	495, 496	1.978777691	-	-0.620335121
15	BD(1)C6-C7	497, 498	1.977399953	-	-0.814499221
16	BD(2)C6-C7	499, 500	1.657365386	-	-0.366481623
17	BD(1)C6-H9	501, 502	1.978810132	-	-0.622808597
18	BD(1)C7-H8	503, 504	1.978473823	-	-0.636522008
19	BD(1)N13-C14	505, 506	1.989821041	-	-1.093661377
20	BD(2)N13-C14	507, 508	1.967007529	-	-0.549640349
21	BD(1)N13-H27	509, 510	1.981991183	-	-0.847216142
22	BD(1)C14-C15	511, 512	1.975410484	-	-0.872754524
23	BD(1)C14-H26	513, 514	1.974966284	-	-0.721802391
24	BD(1)C15-C16	515, 516	1.971727524	-	-0.848165336
25	BD(2)C15-C16	517, 518	1.595932836	-	-0.408014456
26	BD(1)C15-C20	519, 520	1.972688528	-	-0.852003137
27	BD(1)C16-C17	521, 522	1.979441432	-	-0.854953376
28	BD(1)C16-H25	523, 524	1.978735744	-	-0.671650870
29	BD(1)C17-C18	525, 526	1.980339547	-	-0.846660415
30	BD(2)C17-C18	527, 528	1.587892249	-	-0.393341046
31	BD(1)C17-H24	529, 530	1.978145359	-	-0.654381740
32	BD(1)C18-C19	531, 532	1.980050603	-	-0.843154397
33	BD(1)C18-H23	533, 534	1.979200956	-	-0.656390363
34	BD(1)C19-C20	535, 536	1.979093599	-	-0.859341715
35	BD(2)C19-C20	537, 538	1.667199592	-	-0.405160338
36	BD(1)C19-H22	539, 540	1.978356244	-	-0.656162265
37	BD(1)C20-H21	541, 542	1.978090087	-	-0.678731888
38	CR(1)C1	543	1.999155082	-	-10.238274351
39	CR(1)C2	544	1.998981860	-	-10.167327137
40	CR(1)C3	545	1.999041103	-	-10.147403216
41	CR(1)C4	546	1.999154297	-	-10.142191931
42	CR(1)C5	547	1.999156383	-	-10.141959385
43	CR(1)C6	548	1.999155482	-	-10.142907976
44	CR(1)C7	549	1.999038460	-	-10.147909272
45	CR(1)N13	550	1.999285628	-	-14.383238839
46	CR(1)C14	551	1.999172958	-	-10.286823389
47	CR(1)C15	552	1.999000812	-	-10.208067944
48	CR(1)C16	553	1.999094906	-	-10.192860361
49	CR(1)C17	554	1.999150448	-	-10.176976470
50	CR(1)C18	555	1.999168342	-	-10.186604278
51	CR(1)C19	556	1.999161910	-	-10.180014510
52	CR(1)C20	557	1.999066198	-	-10.193751458
53	RY*(1)C1	558	0.007663919	-	0.806263407
54	RY*(2)C1	559	0.002516578	-	0.893265013
55	RY*(3)C1	560	0.001160740	-	0.974129310
56	RY*(4)C1	561	0.000684605	-	1.467905218
57	RY*(5)C1	562	0.000530162	-	1.491939620
58	RY*(6)C1	563	0.000359207	-	0.982875562
59	RY*(7)C1	564	0.000257786	-	2.489358752
60	RY*(8)C1	565	0.000197168	-	1.052652111
61	RY*(9)C1	566	0.000140900	-	1.145651099
62	RY*(10)C1	567	0.000139190	-	2.148622699
63	RY*(11)C1	568	0.000089235	-	1.350273537
64	RY*(12)C1	569	0.000050420	-	2.594707713
65	RY*(13)C1	570	0.000026863	-	2.736675768
66	RY*(14)C1	571	0.000013669	-	1.602722435
67	RY*(15)C1	572	0.000007700	-	2.187643554
68	RY*(16)C1	573	0.000001422	-	21.659286226
69	RY*(17)C1	574	0.000004253	-	3.047827736
70	RY*(18)C1	575	0.000004676	-	3.251708093
71	RY*(19)C1	576	0.000006270	-	1.028231143
72	RY*(20)C1	577	0.000009042	-	2.599993725
73	RY*(21)C1	578	0.000009335	-	1.201449092
74	RY*(22)C1	579	0.000006784	-	3.051852976
75	RY*(1)C2	580	0.006445314	-	1.211638338
76	RY*(2)C2	581	0.003341035	-	1.105140439
77	RY*(3)C2	582	0.002335611	-	0.683242511
78	RY*(4)C2	583	0.001181093	-	2.214669228
79	RY*(5)C2	584	0.001084098	-	2.086521841
80	RY*(6)C2	585	0.000534049	-	2.600199652
81	RY*(7)C2	586	0.000439328	-	1.438739688
82	RY*(8)C2	587	0.000293101	-	1.638619924
83	RY*(9)C2	588	0.000134950	-	1.961892494
84	RY*(10)C2	589	0.000114516	-	3.294779093
85	RY*(11)C2	590	0.000074035	-	2.788092630
86	RY*(12)C2	591	0.000067685	-	2.606047574
87	RY*(13)C2	592	0.000036733	-	2.704961204
88	RY*(14)C2	593	0.000044707	-	2.635968508
89	RY*(15)C2	594	0.000044972	-	1.341107863
90	RY*(16)C2	595	0.000002014	-	18.814786500
91	RY*(17)C2	596	0.000005001	-	1.351010078
92	RY*(18)C2	597	0.000009971	-	1.718185620
93	RY*(19)C2	598	0.000008429	-	1.994506247
94	RY*(20)C2	599	0.000010645	-	2.514232951
95	RY*(21)C2	600	0.000002799	-	3.255234369
96	RY*(22)C2	601	0.000010832	-	2.099062789
97	RY*(1)C3	602	0.006308155	-	1.201108049
98	RY*(2)C3	603	0.002171364	-	1.036184909
99	RY*(3)C3	604	0.001103484	-	0.565339489
100	RY*(4)C3	605	0.000927925	-	1.716724335
101	RY*(5)C3	606	0.000503152	-	1.626115459
102	RY*(6)C3	607	0.000440881	-	2.082947625
103	RY*(7)C3	608	0.000323360	-	1.647762495
104	RY*(8)C3	609	0.000168255	-	1.875093411
105	RY*(9)C3	610	0.000069836	-	1.382172169
106	RY*(10)C3	611	0.000065151	-	2.490979675
107	RY*(11)C3	612	0.000037228	-	2.210567072
108	RY*(12)C3	613	0.000035635	-	2.398658723
109	RY*(13)C3	614	0.000011292	-	2.328676546
110	RY*(14)C3	615	0.000014292	-	1.929847634
111	RY*(15)C3	616	0.000001208	-	2.756048149
112	RY*(16)C3	617	0.000005845	-	2.219102848
113	RY*(17)C3	618	0.000009269	-	1.485366284
114	RY*(18)C3	619	0.000001088	-	2.809771627
115	RY*(19)C3	620	0.000002629	-	19.673860608
116	RY*(20)C3	621	0.000002248	-	3.323967107
117	RY*(21)C3	622	0.000010674	-	0.423220392
118	RY*(22)C3	623	0.000006804	-	2.977884315
119	RY*(1)C4	624	0.006774119	-	1.148953443
120	RY*(2)C4	625	0.002227917	-	1.210239374
121	RY*(3)C4	626	0.000764791	-	0.796991226
122	RY*(4)C4	627	0.000720902	-	1.268189441
123	RY*(5)C4	628	0.000554254	-	1.680358540
124	RY*(6)C4	629	0.000364350	-	2.734497174
125	RY*(7)C4	630	0.000176796	-	2.187121454
126	RY*(8)C4	631	0.000113734	-	1.662831259
127	RY*(9)C4	632	0.000068889	-	1.542914348
128	RY*(10)C4	633	0.000044899	-	2.267336478
129	RY*(11)C4	634	0.000032743	-	2.453404738
130	RY*(12)C4	635	0.000007245	-	2.903072746
131	RY*(13)C4	636	0.000005837	-	2.376420395
132	RY*(14)C4	637	0.000004743	-	3.132910016
133	RY*(15)C4	638	0.000001825	-	0.325082288
134	RY*(16)C4	639	0.000001507	-	2.694105183
135	RY*(17)C4	640	0.000000860	-	20.091252171
136	RY*(18)C4	641	0.000001981	-	2.184889185
137	RY*(19)C4	642	0.000005107	-	1.114859271
138	RY*(20)C4	643	0.000002613	-	2.303501747
139	RY*(21)C4	644	0.000005057	-	1.599692438
140	RY*(22)C4	645	0.000010703	-	2.033098596
141	RY*(1)C5	646	0.006336687	-	1.172943152
142	RY*(2)C5	647	0.002137648	-	1.254386197
143	RY*(3)C5	648	0.000732906	-	1.242412664
144	RY*(4)C5	649	0.000654698	-	0.388230203
145	RY*(5)C5	650	0.000657372	-	1.771582356
146	RY*(6)C5	651	0.000347344	-	2.766921390
147	RY*(7)C5	652	0.000169166	-	1.981168042
148	RY*(8)C5	653	0.000126600	-	1.303184565
149	RY*(9)C5	654	0.000062760	-	2.473700622
150	RY*(10)C5	655	0.000054709	-	2.584525273
151	RY*(11)C5	656	0.000007494	-	2.799485603
152	RY*(12)C5	657	0.000011330	-	2.312228978
153	RY*(13)C5	658	0.000001724	-	0.479277124
154	RY*(14)C5	659	0.000003492	-	3.457951617
155	RY*(15)C5	660	0.000001123	-	19.812496055
156	RY*(16)C5	661	0.000002489	-	2.094183691
157	RY*(17)C5	662	0.000002925	-	2.677704935
158	RY*(18)C5	663	0.000003535	-	1.934810732
159	RY*(19)C5	664	0.000001201	-	1.318617978
160	RY*(20)C5	665	0.000000588	-	2.745423234
161	RY*(21)C5	666	0.000006193	-	2.346922656
162	RY*(22)C5	667	0.000005060	-	0.885604868
163	RY*(1)C6	668	0.006710427	-	1.145979962
164	RY*(2)C6	669	0.002232172	-	1.213574668
165	RY*(3)C6	670	0.000765884	-	0.998128205
166	RY*(4)C6	671	0.000708729	-	1.123587455
167	RY*(5)C6	672	0.000556910	-	1.662817456
168	RY*(6)C6	673	0.000362362	-	2.678891902
169	RY*(7)C6	674	0.000184104	-	2.079798330
170	RY*(8)C6	675	0.000115025	-	1.696741094
171	RY*(9)C6	676	0.000054900	-	1.310077406
172	RY*(10)C6	677	0.000044538	-	2.783140005
173	RY*(11)C6	678	0.000015060	-	1.794291501
174	RY*(12)C6	679	0.000023218	-	2.419828721
175	RY*(13)C6	680	0.000014421	-	2.054601338
176	RY*(14)C6	681	0.000001934	-	2.242450342
177	RY*(15)C6	682	0.000011014	-	3.172738995
178	RY*(16)C6	683	0.000007431	-	0.928508091
179	RY*(17)C6	684	0.000001311	-	1.360839026
180	RY*(18)C6	685	0.000000220	-	3.122357654
181	RY*(19)C6	686	0.000000569	-	19.955520656
182	RY*(20)C6	687	0.000001022	-	1.089894014
183	RY*(21)C6	688	0.000007107	-	2.912397240
184	RY*(22)C6	689	0.000000470	-	1.984567888
185	RY*(1)C7	690	0.006276828	-	1.180864842
186	RY*(2)C7	691	0.002142198	-	1.060952583
187	RY*(3)C7	692	0.001148365	-	0.524274147
188	RY*(4)C7	693	0.000957329	-	1.637672653
189	RY*(5)C7	694	0.000508105	-	1.861306569
190	RY*(6)C7	695	0.000410623	-	2.164745411
191	RY*(7)C7	696	0.000244889	-	1.601544885
192	RY*(8)C7	697	0.000176871	-	1.809723091
193	RY*(9)C7	698	0.000085122	-	0.974323738
194	RY*(10)C7	699	0.000060569	-	1.948729612
195	RY*(11)C7	700	0.000053742	-	0.782122997
196	RY*(12)C7	701	0.000034648	-	2.888856687
197	RY*(13)C7	702	0.000032058	-	2.559026283
198	RY*(14)C7	703	0.000002820	-	2.942372962
199	RY*(15)C7	704	0.000003367	-	2.722131271
200	RY*(16)C7	705	0.000005847	-	2.733490660
201	RY*(17)C7	706	0.000001886	-	19.977836402
202	RY*(18)C7	707	0.000003054	-	2.514705859
203	RY*(19)C7	708	0.000010121	-	1.518929725
204	RY*(20)C7	709	0.000004087	-	2.488169896
205	RY*(21)C7	710	0.000006102	-	2.371600504
206	RY*(22)C7	711	0.000008659	-	2.023742781
207	RY*(1)H8	712	0.000648520	-	1.220792688
208	RY*(2)H8	713	0.000213324	-	1.821858884
209	RY*(3)H8	714	0.000152980	-	2.041135025
210	RY*(4)H8	715	0.000053250	-	2.475275558
211	RY*(5)H8	716	0.000036978	-	2.438612350
212	RY*(1)H9	717	0.000505752	-	1.037329123
213	RY*(2)H9	718	0.000195715	-	1.821560337
214	RY*(3)H9	719	0.000168644	-	2.057525700
215	RY*(4)H9	720	0.000050245	-	2.454085680
216	RY*(5)H9	721	0.000035674	-	2.543381867
217	RY*(1)H10	722	0.000340764	-	1.138533976
218	RY*(2)H10	723	0.000190585	-	1.817789751
219	RY*(3)H10	724	0.000165610	-	2.049254203
220	RY*(4)H10	725	0.000047305	-	2.453348096
221	RY*(5)H10	726	0.000027522	-	2.474533129
222	RY*(1)H11	727	0.000501183	-	1.044984404
223	RY*(2)H11	728	0.000196798	-	1.823507590
224	RY*(3)H11	729	0.000168561	-	2.053945423
225	RY*(4)H11	730	0.000039727	-	2.508457771
226	RY*(5)H11	731	0.000046387	-	2.483501471
227	RY*(1)H12	732	0.000654572	-	1.210739847
228	RY*(2)H12	733	0.000196247	-	1.830462276
229	RY*(3)H12	734	0.000156497	-	2.049434958
230	RY*(4)H12	735	0.000047969	-	2.468016104
231	RY*(5)H12	736	0.000041192	-	2.413908178
232	RY*(1)N13	737	0.003139399	-	0.948080583
233	RY*(2)N13	738	0.002723574	-	0.887351476
234	RY*(3)N13	739	0.001012083	-	1.046019685
235	RY*(4)N13	740	0.000781432	-	1.356825557
236	RY*(5)N13	741	0.000407569	-	2.023135267
237	RY*(6)N13	742	0.000359311	-	1.699611309
238	RY*(7)N13	743	0.000261801	-	1.762109639
239	RY*(8)N13	744	0.000204723	-	1.429577325
240	RY*(9)N13	745	0.000110753	-	2.170174162
241	RY*(10)N13	746	0.000083545	-	1.615103616
242	RY*(11)N13	747	0.000061300	-	1.807304457
243	RY*(12)N13	748	0.000031964	-	4.070883247
244	RY*(13)N13	749	0.000017640	-	2.498058810
245	RY*(14)N13	750	0.000010644	-	3.203306157
246	RY*(15)N13	751	0.000012167	-	2.417740121
247	RY*(16)N13	752	0.000013334	-	4.348959244
248	RY*(17)N13	753	0.000004102	-	1.322841856
249	RY*(18)N13	754	0.000012242	-	3.774988535
250	RY*(19)N13	755	0.000000108	-	34.609570136
251	RY*(20)N13	756	0.000000500	-	3.684522040
252	RY*(21)N13	757	0.000001594	-	4.447807480
253	RY*(22)N13	758	0.000004845	-	4.452758066
254	RY*(1)C14	759	0.006522958	-	1.019105531
255	RY*(2)C14	760	0.003254025	-	1.032192997
256	RY*(3)C14	761	0.001877163	-	1.428179023
257	RY*(4)C14	762	0.000929565	-	0.835064658
258	RY*(5)C14	763	0.000550599	-	0.658665577
259	RY*(6)C14	764	0.000447745	-	1.773101281
260	RY*(7)C14	765	0.000391094	-	1.829151141
261	RY*(8)C14	766	0.000333403	-	2.085895475
262	RY*(9)C14	767	0.000240813	-	0.749829332
263	RY*(10)C14	768	0.000159136	-	1.938673446
264	RY*(11)C14	769	0.000089767	-	1.917869280
265	RY*(12)C14	770	0.000057218	-	4.586828043
266	RY*(13)C14	771	0.000059464	-	1.685391126
267	RY*(14)C14	772	0.000030331	-	3.251749222
268	RY*(15)C14	773	0.000015273	-	1.432219350
269	RY*(16)C14	774	0.000010859	-	2.600610882
270	RY*(17)C14	775	0.000004486	-	15.179748720
271	RY*(18)C14	776	0.000001173	-	3.154065859
272	RY*(19)C14	777	0.000006470	-	2.505978281
273	RY*(20)C14	778	0.000008349	-	3.179034566
274	RY*(21)C14	779	0.000000920	-	2.870559363
275	RY*(22)C14	780	0.000006143	-	2.934793139
276	RY*(1)C15	781	0.007066178	-	1.262175713
277	RY*(2)C15	782	0.004461221	-	1.257926094
278	RY*(3)C15	783	0.001123850	-	2.686123926
279	RY*(4)C15	784	0.000987451	-	2.280773211
280	RY*(5)C15	785	0.000756593	-	0.590118415
281	RY*(6)C15	786	0.000622074	-	1.347444932
282	RY*(7)C15	787	0.000542501	-	2.238817290
283	RY*(8)C15	788	0.000308655	-	1.759850810
284	RY*(9)C15	789	0.000184306	-	2.618430460
285	RY*(10)C15	790	0.000115506	-	2.522448298
286	RY*(11)C15	791	0.000085924	-	2.365018173
287	RY*(12)C15	792	0.000069239	-	1.993055691
288	RY*(13)C15	793	0.000044963	-	2.111511960
289	RY*(14)C15	794	0.000027854	-	1.822723045
290	RY*(15)C15	795	0.000025025	-	1.310230099
291	RY*(16)C15	796	0.000003570	-	2.830300702
292	RY*(17)C15	797	0.000006745	-	1.407973674
293	RY*(18)C15	798	0.000000679	-	2.399012957
294	RY*(19)C15	799	0.000007084	-	2.580862058
295	RY*(20)C15	800	0.000008060	-	2.428276410
296	RY*(21)C15	801	0.000005815	-	19.491340347
297	RY*(22)C15	802	0.000001590	-	2.012516002
298	RY*(1)C16	803	0.005793774	-	1.172468174
299	RY*(2)C16	804	0.001995277	-	1.063578416
300	RY*(3)C16	805	0.000879150	-	1.595217509
301	RY*(4)C16	806	0.000776857	-	0.608765202
302	RY*(5)C16	807	0.000571060	-	1.725091175
303	RY*(6)C16	808	0.000571300	-	1.761036130
304	RY*(7)C16	809	0.000229643	-	1.725097510
305	RY*(8)C16	810	0.000155326	-	2.708616800
306	RY*(9)C16	811	0.000059684	-	1.804437544
307	RY*(10)C16	812	0.000068229	-	0.907367373
308	RY*(11)C16	813	0.000056783	-	1.800520456
309	RY*(12)C16	814	0.000021337	-	4.060715750
310	RY*(13)C16	815	0.000023133	-	3.903586351
311	RY*(14)C16	816	0.000019279	-	2.311585335
312	RY*(15)C16	817	0.000015077	-	7.747082181
313	RY*(16)C16	818	0.000001120	-	2.775273884
314	RY*(17)C16	819	0.000002942	-	9.818400817
315	RY*(18)C16	820	0.000001253	-	2.847501517
316	RY*(19)C16	821	0.000001027	-	0.403154783
317	RY*(20)C16	822	0.000005252	-	2.957183156
318	RY*(21)C16	823	0.000000275	-	2.672222027
319	RY*(22)C16	824	0.000000488	-	3.340783280
320	RY*(1)C17	825	0.006546133	-	1.119800174
321	RY*(2)C17	826	0.002247202	-	1.184918818
322	RY*(3)C17	827	0.000660419	-	1.802190471
323	RY*(4)C17	828	0.000571938	-	0.364344042
324	RY*(5)C17	829	0.000561129	-	1.676070639
325	RY*(6)C17	830	0.000312426	-	2.663648754
326	RY*(7)C17	831	0.000196954	-	2.020894339
327	RY*(8)C17	832	0.000110223	-	1.506080499
328	RY*(9)C17	833	0.000069115	-	1.373695611
329	RY*(10)C17	834	0.000027707	-	1.610033490
330	RY*(11)C17	835	0.000037385	-	2.897792959
331	RY*(12)C17	836	0.000000875	-	2.663524366
332	RY*(13)C17	837	0.000000722	-	19.800906629
333	RY*(14)C17	838	0.000008087	-	2.593133836
334	RY*(15)C17	839	0.000002224	-	1.592738749
335	RY*(16)C17	840	0.000007325	-	1.944071067
336	RY*(17)C17	841	0.000002472	-	2.203133400
337	RY*(18)C17	842	0.000000900	-	1.504992412
338	RY*(19)C17	843	0.000008206	-	2.496139686
339	RY*(20)C17	844	0.000005195	-	2.318087264
340	RY*(21)C17	845	0.000000537	-	0.641846240
341	RY*(22)C17	846	0.000000853	-	3.059700830
342	RY*(1)C18	847	0.006319392	-	1.116645398
343	RY*(2)C18	848	0.002077305	-	1.211728350
344	RY*(3)C18	849	0.000734401	-	1.207954529
345	RY*(4)C18	850	0.000628228	-	1.770173177
346	RY*(5)C18	851	0.000458545	-	0.394412810
347	RY*(6)C18	852	0.000365247	-	2.601822081
348	RY*(7)C18	853	0.000167883	-	2.078507309
349	RY*(8)C18	854	0.000130278	-	1.171266440
350	RY*(9)C18	855	0.000053320	-	2.672041056
351	RY*(10)C18	856	0.000047944	-	2.841890621
352	RY*(11)C18	857	0.000021500	-	2.647113786
353	RY*(12)C18	858	0.000000669	-	2.606361884
354	RY*(13)C18	859	0.000002315	-	1.177596531
355	RY*(14)C18	860	0.000010618	-	2.619787668
356	RY*(15)C18	861	0.000002119	-	1.254589395
357	RY*(16)C18	862	0.000000315	-	2.795806977
358	RY*(17)C18	863	0.000001981	-	19.334525530
359	RY*(18)C18	864	0.000000894	-	2.378528036
360	RY*(19)C18	865	0.000003336	-	2.394627610
361	RY*(20)C18	866	0.000002017	-	1.973265266
362	RY*(21)C18	867	0.000000323	-	0.384882160
363	RY*(22)C18	868	0.000002180	-	2.519499280
364	RY*(1)C19	869	0.006511351	-	1.098522973
365	RY*(2)C19	870	0.002230203	-	1.167104829
366	RY*(3)C19	871	0.000697429	-	1.791636869
367	RY*(4)C19	872	0.000547845	-	0.371761876
368	RY*(5)C19	873	0.000526478	-	1.780858552
369	RY*(6)C19	874	0.000307562	-	2.644740705
370	RY*(7)C19	875	0.000166124	-	2.341000951
371	RY*(8)C19	876	0.000109908	-	1.594638167
372	RY*(9)C19	877	0.000058732	-	1.191969872
373	RY*(10)C19	878	0.000028528	-	1.003628361
374	RY*(11)C19	879	0.000036803	-	3.121880287
375	RY*(12)C19	880	0.000000810	-	2.569046805
376	RY*(13)C19	881	0.000006788	-	1.558961510
377	RY*(14)C19	882	0.000008425	-	1.944541654
378	RY*(15)C19	883	0.000001909	-	20.072345950
379	RY*(16)C19	884	0.000001953	-	1.878546161
380	RY*(17)C19	885	0.000004739	-	0.790118273
381	RY*(18)C19	886	0.000001406	-	3.131586952
382	RY*(19)C19	887	0.000006930	-	3.015105679
383	RY*(20)C19	888	0.000008938	-	2.831809385
384	RY*(21)C19	889	0.000002719	-	0.447585010
385	RY*(22)C19	890	0.000001133	-	2.703965886
386	RY*(1)C20	891	0.005399376	-	1.189191941
387	RY*(2)C20	892	0.002088857	-	1.197446631
388	RY*(3)C20	893	0.000962013	-	0.548856030
389	RY*(4)C20	894	0.000876268	-	1.443383797
390	RY*(5)C20	895	0.000540364	-	1.826255021
391	RY*(6)C20	896	0.000432932	-	1.899048279
392	RY*(7)C20	897	0.000212961	-	1.436972242
393	RY*(8)C20	898	0.000174972	-	2.589762778
394	RY*(9)C20	899	0.000074434	-	0.711715968
395	RY*(10)C20	900	0.000063749	-	1.827045645
396	RY*(11)C20	901	0.000048085	-	1.916705142
397	RY*(12)C20	902	0.000020909	-	3.367475535
398	RY*(13)C20	903	0.000030518	-	3.038568631
399	RY*(14)C20	904	0.000018642	-	1.307009055
400	RY*(15)C20	905	0.000018764	-	1.928721209
401	RY*(16)C20	906	0.000024015	-	3.144709513
402	RY*(17)C20	907	0.000001322	-	1.461253958
403	RY*(18)C20	908	0.000000869	-	2.379033459
404	RY*(19)C20	909	0.000000314	-	2.743411307
405	RY*(20)C20	910	0.000002853	-	18.281833680
406	RY*(21)C20	911	0.000002541	-	2.369706963
407	RY*(22)C20	912	0.000001112	-	3.168208094
408	RY*(1)H21	913	0.000786797	-	1.456853735
409	RY*(2)H21	914	0.000200190	-	1.790071753
410	RY*(3)H21	915	0.000147623	-	1.840022778
411	RY*(4)H21	916	0.000050713	-	2.418862531
412	RY*(5)H21	917	0.000033430	-	2.373075719
413	RY*(1)H22	918	0.000448459	-	1.088831964
414	RY*(2)H22	919	0.000192603	-	1.787243187
415	RY*(3)H22	920	0.000169033	-	2.011225078
416	RY*(4)H22	921	0.000043791	-	2.430966450
417	RY*(5)H22	922	0.000031621	-	2.486233906
418	RY*(1)H23	923	0.000291870	-	1.154024205
419	RY*(2)H23	924	0.000176893	-	1.781348741
420	RY*(3)H23	925	0.000165981	-	2.023228978
421	RY*(4)H23	926	0.000045344	-	2.424750063
422	RY*(5)H23	927	0.000026858	-	2.392181848
423	RY*(1)H24	928	0.000458139	-	1.082014333
424	RY*(2)H24	929	0.000195794	-	1.789603447
425	RY*(3)H24	930	0.000167392	-	2.004999287
426	RY*(4)H24	931	0.000041329	-	2.436662916
427	RY*(5)H24	932	0.000036116	-	2.473750741
428	RY*(1)H25	933	0.000501963	-	1.217138194
429	RY*(2)H25	934	0.000182117	-	1.793295397
430	RY*(3)H25	935	0.000144263	-	1.977138001
431	RY*(4)H25	936	0.000053087	-	2.434949726
432	RY*(5)H25	937	0.000036832	-	2.383738206
433	RY*(1)H26	938	0.000841180	-	1.149147940
434	RY*(2)H26	939	0.000117054	-	2.239896712
435	RY*(3)H26	940	0.000119315	-	1.729835325
436	RY*(4)H26	941	0.000041224	-	2.323860581
437	RY*(5)H26	942	0.000023001	-	2.270740450
438	RY*(1)H27	943	0.002531132	-	0.508933625
439	RY*(2)H27	944	0.000488177	-	1.799631495
440	RY*(3)H27	945	0.000360460	-	2.017516634
441	RY*(4)H27	946	0.000215470	-	2.245965013
442	RY*(5)H27	947	0.000044499	-	2.773135120
443	RY*(1)H28	948	0.000877465	-	0.828504574
444	RY*(2)H28	949	0.000102061	-	2.031489683
445	RY*(3)H28	950	0.000095173	-	2.249528028
446	RY*(4)H28	951	0.000069809	-	2.133277541
447	RY*(5)H28	952	0.000039216	-	2.407584982
448	RY*(1)H29	953	0.000808086	-	0.814306272
449	RY*(2)H29	954	0.000118701	-	2.168524348
450	RY*(3)H29	955	0.000101872	-	2.121641471
451	RY*(4)H29	956	0.000044121	-	2.251182396
452	RY*(5)H29	957	0.000046628	-	2.208730236
453	BD*(1)C1-C2		0.023547889	-	0.268737696
454	BD*(1)C1-N13		0.036696443	-	0.133065138
455	BD*(1)C1-H28		0.013146241	-	0.230381096
456	BD*(1)C1-H29		0.014168099	-	0.235399606
457	BD*(1)C2-C3		0.023931132	-	0.448462577
458	BD*(2)C2-C3		0.379965891	-	-0.092761400
459	BD*(1)C2-C7		0.025004813	-	0.445897779
460	BD*(1)C3-C4		0.015079335	-	0.457473992
461	BD*(1)C3-H12		0.014145953	-	0.316267583
462	BD*(1)C4-C5		0.015490245	-	0.464051640
463	BD*(2)C4-C5		0.295860915	-	-0.076489564
464	BD*(1)C4-H11		0.013194781	-	0.332232975
465	BD*(1)C5-C6		0.015587254	-	0.460731596
466	BD*(1)C5-H10		0.013231759	-	0.337011011
467	BD*(1)C6-C7		0.014986883	-	0.460112400
468	BD*(2)C6-C7		0.306256834	-	-0.083321894
469	BD*(1)C6-H9		0.013239302	-	0.331217996
470	BD*(1)C7-H8		0.014288765	-	0.311840493
471	BD*(1)N13-C14		0.014285806	-	0.378668471
472	BD*(2)N13-C14		0.253537231	-	-0.201018987
473	BD*(1)N13-H27		0.024463805	-	0.203206693
474	BD*(1)C14-C15		0.022824300	-	0.323719906
475	BD*(1)C14-H26		0.015620423	-	0.223928369
476	BD*(1)C15-C16		0.021985411	-	0.387968451
477	BD*(2)C15-C16		0.413611946	-	-0.134904875
478	BD*(1)C15-C20		0.026458744	-	0.386274919
479	BD*(1)C16-C17		0.013896749	-	0.429261936
480	BD*(1)C16-H25		0.012857862	-	0.285086892
481	BD*(1)C17-C18		0.015152440	-	0.425035357
482	BD*(2)C17-C18		0.270099901	-	-0.111284426
483	BD*(1)C17-H24		0.013286373	-	0.301759857
484	BD*(1)C18-C19		0.015308076	-	0.414586780
485	BD*(1)C18-H23		0.012445235	-	0.304998227
486	BD*(1)C19-C20		0.014122006	-	0.434155692
487	BD*(2)C19-C20		0.248550405	-	-0.116363821
488	BD*(1)C19-H22		0.013105499	-	0.299868959
489	BD*(1)C20-H21		0.014063391	-	0.274364148

Quote

Not by the face shall a man be known, but by the mask. -- Karen Blixen

WebMO Job Summary

269336: C14H14N(+1) iminium (MeOH) C1, Natural Bond Orbitals - Gaussian

Calculated Quantities

Overview

Rotational Constants

Partial Charges

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

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