WebMO Job Summary

33208: C17H19O3N, Natural Bond Orbitals - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Method B3LYP
Stoichiometry C17H19NO3
Symmetry C1
Basis 6-311+G(2d,p)
RB3LYP Energy -939.965288626 Hartree
Dipole Moment 5.5868 Debye
Server class (33686)
CPU time 3415.9 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 0.3902544 0.01301748558
b 0.2304835 0.00768810201
c 0.1661188 0.00554112672

Partial Charges

Atom Symbol Charge
1 C -0.533431  
2 C 0.400715  
3 C -0.146885  
4 C -0.100048  
5 C -0.218577  
6 N 0.181083  
7 C -0.498632  
8 C 1.208455  
9 C 0.040066  
10 C 0.167740  
11 C 0.040132  
12 C -0.474103  
13 C -0.563997  
14 H 0.130102  
15 H 0.081698  
16 H 0.085949  
17 O -0.552935  
18 C -0.129509  
19 H 0.138517  
20 H 0.139658  
21 H 0.137473  
22 O -0.479454  
23 H 0.316936  
24 H 0.148589  
25 H 0.174320  
26 C 0.571051  
27 O -0.497417  
28 C -0.529741  
29 H 0.143688  
30 H 0.143480  
31 H 0.144895  
32 C -0.153035  
33 C -0.270585  
34 H 0.080268  
35 H 0.094890  
36 H 0.107293  
37 H 0.081381  
38 H 0.117289  
39 H 0.132713  
40 H 0.139971  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -19.17171
2 - 2 - -19.15297
3 - 2 - -19.07941
4 - 2 - -14.34033
5 - 2 - -10.26632
6 - 2 - -10.23733
7 - 2 - -10.23563
8 - 2 - -10.23271
9 - 2 - -10.2143
10 - 2 - -10.20103
11 - 2 - -10.19098
12 - 2 - -10.18131
13 - 2 - -10.18058
14 - 2 - -10.17957
15 - 2 - -10.17913
16 - 2 - -10.17664
17 - 2 - -10.1761
18 - 2 - -10.17453
19 - 2 - -10.16825
20 - 2 - -10.16557
21 - 2 - -10.16346
22 - 2 - -1.08964
23 - 2 - -1.05683
24 - 2 - -1.0337
25 - 2 - -0.94173
26 - 2 - -0.86521
27 - 2 - -0.85586
28 - 2 - -0.78623
29 - 2 - -0.77226
30 - 2 - -0.75878
31 - 2 - -0.75809
32 - 2 - -0.73679
33 - 2 - -0.70749
34 - 2 - -0.70012
35 - 2 - -0.67733
36 - 2 - -0.6237
37 - 2 - -0.61763
38 - 2 - -0.60895
39 - 2 - -0.59927
40 - 2 - -0.56265
41 - 2 - -0.5587
42 - 2 - -0.52766
43 - 2 - -0.50706
44 - 2 - -0.4978
45 - 2 - -0.48775
46 - 2 - -0.48629
47 - 2 - -0.47921
48 - 2 - -0.47037
49 - 2 - -0.46093
50 - 2 - -0.4504
51 - 2 - -0.44731
52 - 2 - -0.44154
53 - 2 - -0.43173
54 - 2 - -0.43052
55 - 2 - -0.42998
56 - 2 - -0.41905
57 - 2 - -0.40453
58 - 2 - -0.40015
59 - 2 - -0.39751
60 - 2 - -0.39699
61 - 2 - -0.39001
62 - 2 - -0.37305
63 - 2 - -0.36803
64 - 2 - -0.36326
65 - 2 - -0.36167
66 - 2 - -0.35476
67 - 2 - -0.35384
68 - 2 - -0.35102
69 - 2 - -0.34428
70 - 2 - -0.32763
71 - 2 - -0.26702
72 - 2 - -0.26559
73 - 2 - -0.2512
74 - 2 - -0.24657
75 - 2 - -0.23507
76 - 2 - -0.21814
77 - 0 - -0.02757
78 - 0 - -0.02237
79 - 0 - -0.01031
80 - 0 - -0.00646
81 - 0 - -0.00017
82 - 0 - 0.00286
83 - 0 - 0.00611
84 - 0 - 0.01375
85 - 0 - 0.01619
86 - 0 - 0.02107
87 - 0 - 0.02533
88 - 0 - 0.02883
89 - 0 - 0.03479
90 - 0 - 0.03986
91 - 0 - 0.04194
92 - 0 - 0.04653
93 - 0 - 0.04893
94 - 0 - 0.05074
95 - 0 - 0.0566
96 - 0 - 0.06272
97 - 0 - 0.06734
98 - 0 - 0.06835
99 - 0 - 0.07403
100 - 0 - 0.07845
101 - 0 - 0.08337
102 - 0 - 0.08457
103 - 0 - 0.08864
104 - 0 - 0.09344
105 - 0 - 0.0966
106 - 0 - 0.09793
107 - 0 - 0.10503
108 - 0 - 0.10772
109 - 0 - 0.11166
110 - 0 - 0.12004
111 - 0 - 0.12164
112 - 0 - 0.12508
113 - 0 - 0.12643
114 - 0 - 0.13067
115 - 0 - 0.13142
116 - 0 - 0.13718
117 - 0 - 0.14017
118 - 0 - 0.14321
119 - 0 - 0.14706
120 - 0 - 0.14938
121 - 0 - 0.15083
122 - 0 - 0.15246
123 - 0 - 0.16044
124 - 0 - 0.16241
125 - 0 - 0.16524
126 - 0 - 0.17357
127 - 0 - 0.17411
128 - 0 - 0.17767
129 - 0 - 0.17853
130 - 0 - 0.18297
131 - 0 - 0.18323
132 - 0 - 0.18596
133 - 0 - 0.18894
134 - 0 - 0.19218
135 - 0 - 0.19511
136 - 0 - 0.1964
137 - 0 - 0.19703
138 - 0 - 0.20068
139 - 0 - 0.203
140 - 0 - 0.20522
141 - 0 - 0.20822
142 - 0 - 0.2115
143 - 0 - 0.21439
144 - 0 - 0.21733
145 - 0 - 0.21838
146 - 0 - 0.2204
147 - 0 - 0.22414
148 - 0 - 0.2267
149 - 0 - 0.22977
150 - 0 - 0.23211
151 - 0 - 0.23452
152 - 0 - 0.2383
153 - 0 - 0.23915
154 - 0 - 0.24211
155 - 0 - 0.24945
156 - 0 - 0.25133
157 - 0 - 0.25432
158 - 0 - 0.25644
159 - 0 - 0.26077
160 - 0 - 0.26493
161 - 0 - 0.26886
162 - 0 - 0.27511
163 - 0 - 0.27591
164 - 0 - 0.27664
165 - 0 - 0.27738
166 - 0 - 0.28386
167 - 0 - 0.28591
168 - 0 - 0.29014
169 - 0 - 0.29355
170 - 0 - 0.29722
171 - 0 - 0.30595
172 - 0 - 0.30794
173 - 0 - 0.30967
174 - 0 - 0.31365
175 - 0 - 0.31535
176 - 0 - 0.32431
177 - 0 - 0.32874
178 - 0 - 0.33669
179 - 0 - 0.3375
180 - 0 - 0.34337
181 - 0 - 0.34895
182 - 0 - 0.35331
183 - 0 - 0.35753
184 - 0 - 0.35953
185 - 0 - 0.3615
186 - 0 - 0.36386
187 - 0 - 0.37096
188 - 0 - 0.37507
189 - 0 - 0.38344
190 - 0 - 0.38981
191 - 0 - 0.39458
192 - 0 - 0.40071
193 - 0 - 0.40561
194 - 0 - 0.41263
195 - 0 - 0.42096
196 - 0 - 0.42367
197 - 0 - 0.42679
198 - 0 - 0.43309
199 - 0 - 0.44052
200 - 0 - 0.44946
201 - 0 - 0.45623
202 - 0 - 0.46065
203 - 0 - 0.46678
204 - 0 - 0.47023
205 - 0 - 0.48231
206 - 0 - 0.48521
207 - 0 - 0.49575
208 - 0 - 0.50174
209 - 0 - 0.50438
210 - 0 - 0.51002
211 - 0 - 0.51395
212 - 0 - 0.52718
213 - 0 - 0.52887
214 - 0 - 0.53255
215 - 0 - 0.53724
216 - 0 - 0.53996
217 - 0 - 0.54347
218 - 0 - 0.54713
219 - 0 - 0.55103
220 - 0 - 0.55489
221 - 0 - 0.56299
222 - 0 - 0.56764
223 - 0 - 0.57278
224 - 0 - 0.57912
225 - 0 - 0.58039
226 - 0 - 0.58426
227 - 0 - 0.58638
228 - 0 - 0.59139
229 - 0 - 0.59556
230 - 0 - 0.60129
231 - 0 - 0.60607
232 - 0 - 0.61509
233 - 0 - 0.62332
234 - 0 - 0.62477
235 - 0 - 0.62862
236 - 0 - 0.63199
237 - 0 - 0.64047
238 - 0 - 0.64528
239 - 0 - 0.64804
240 - 0 - 0.65912
241 - 0 - 0.6599
242 - 0 - 0.6636
243 - 0 - 0.66674
244 - 0 - 0.66858
245 - 0 - 0.67414
246 - 0 - 0.67752
247 - 0 - 0.67909
248 - 0 - 0.68603
249 - 0 - 0.68938
250 - 0 - 0.69157
251 - 0 - 0.69886
252 - 0 - 0.70336
253 - 0 - 0.70656
254 - 0 - 0.71488
255 - 0 - 0.71777
256 - 0 - 0.72034
257 - 0 - 0.72576
258 - 0 - 0.73082
259 - 0 - 0.73515
260 - 0 - 0.73956
261 - 0 - 0.74363
262 - 0 - 0.74473
263 - 0 - 0.75295
264 - 0 - 0.75761
265 - 0 - 0.76264
266 - 0 - 0.76538
267 - 0 - 0.7716
268 - 0 - 0.78129
269 - 0 - 0.78735
270 - 0 - 0.79154
271 - 0 - 0.79451
272 - 0 - 0.79557
273 - 0 - 0.80254
274 - 0 - 0.80612
275 - 0 - 0.81152
276 - 0 - 0.81267
277 - 0 - 0.81415
278 - 0 - 0.82044
279 - 0 - 0.83419
280 - 0 - 0.83866
281 - 0 - 0.84004
282 - 0 - 0.84892
283 - 0 - 0.85195
284 - 0 - 0.8592
285 - 0 - 0.86171
286 - 0 - 0.86513
287 - 0 - 0.86839
288 - 0 - 0.87396
289 - 0 - 0.88466
290 - 0 - 0.89178
291 - 0 - 0.89472
292 - 0 - 0.91707
293 - 0 - 0.92341
294 - 0 - 0.92868
295 - 0 - 0.93966
296 - 0 - 0.95249
297 - 0 - 0.95955
298 - 0 - 0.9654
299 - 0 - 0.97415
300 - 0 - 0.9834
301 - 0 - 0.98626
302 - 0 - 0.9996
303 - 0 - 1.00866
304 - 0 - 1.01161
305 - 0 - 1.02622
306 - 0 - 1.03247
307 - 0 - 1.04031
308 - 0 - 1.05327
309 - 0 - 1.05995
310 - 0 - 1.06423
311 - 0 - 1.0745
312 - 0 - 1.07698
313 - 0 - 1.09464
314 - 0 - 1.10118
315 - 0 - 1.11128
316 - 0 - 1.11736
317 - 0 - 1.12856
318 - 0 - 1.1348
319 - 0 - 1.13962
320 - 0 - 1.14534
321 - 0 - 1.15872
322 - 0 - 1.1637
323 - 0 - 1.16549
324 - 0 - 1.17976
325 - 0 - 1.18506
326 - 0 - 1.18712
327 - 0 - 1.1925
328 - 0 - 1.20042
329 - 0 - 1.20145
330 - 0 - 1.21134
331 - 0 - 1.21677
332 - 0 - 1.22274
333 - 0 - 1.23405
334 - 0 - 1.235
335 - 0 - 1.24006
336 - 0 - 1.25059
337 - 0 - 1.25337
338 - 0 - 1.26591
339 - 0 - 1.27223
340 - 0 - 1.27881
341 - 0 - 1.28288
342 - 0 - 1.29435
343 - 0 - 1.30105
344 - 0 - 1.30253
345 - 0 - 1.31545
346 - 0 - 1.31818
347 - 0 - 1.33059
348 - 0 - 1.34315
349 - 0 - 1.35
350 - 0 - 1.35621
351 - 0 - 1.36023
352 - 0 - 1.37047
353 - 0 - 1.37366
354 - 0 - 1.3764
355 - 0 - 1.38065
356 - 0 - 1.38882
357 - 0 - 1.3933
358 - 0 - 1.39995
359 - 0 - 1.41017
360 - 0 - 1.41339
361 - 0 - 1.41589
362 - 0 - 1.42539
363 - 0 - 1.42616
364 - 0 - 1.43603
365 - 0 - 1.4445
366 - 0 - 1.4614
367 - 0 - 1.47227
368 - 0 - 1.47684
369 - 0 - 1.48105
370 - 0 - 1.50688
371 - 0 - 1.52442
372 - 0 - 1.5358
373 - 0 - 1.5462
374 - 0 - 1.55198
375 - 0 - 1.55839
376 - 0 - 1.56824
377 - 0 - 1.57375
378 - 0 - 1.58869
379 - 0 - 1.59458
380 - 0 - 1.61069
381 - 0 - 1.62848
382 - 0 - 1.6349
383 - 0 - 1.65173
384 - 0 - 1.6565
385 - 0 - 1.67016
386 - 0 - 1.67834
387 - 0 - 1.68544
388 - 0 - 1.70349
389 - 0 - 1.70844
390 - 0 - 1.7107
391 - 0 - 1.73371
392 - 0 - 1.73774
393 - 0 - 1.75151
394 - 0 - 1.75779
395 - 0 - 1.77582
396 - 0 - 1.79145
397 - 0 - 1.798
398 - 0 - 1.80571
399 - 0 - 1.80991
400 - 0 - 1.82396
401 - 0 - 1.82743
402 - 0 - 1.83865
403 - 0 - 1.84692
404 - 0 - 1.8619
405 - 0 - 1.8655
406 - 0 - 1.88657
407 - 0 - 1.89731
408 - 0 - 1.89909
409 - 0 - 1.90456
410 - 0 - 1.92058
411 - 0 - 1.93083
412 - 0 - 1.96234
413 - 0 - 1.97489
414 - 0 - 1.98501
415 - 0 - 1.99594
416 - 0 - 1.99915
417 - 0 - 2.01007
418 - 0 - 2.02369
419 - 0 - 2.05034
420 - 0 - 2.05986
421 - 0 - 2.07692
422 - 0 - 2.08306
423 - 0 - 2.08709
424 - 0 - 2.11311
425 - 0 - 2.13619
426 - 0 - 2.13925
427 - 0 - 2.14711
428 - 0 - 2.15443
429 - 0 - 2.17823
430 - 0 - 2.19961
431 - 0 - 2.21733
432 - 0 - 2.23078
433 - 0 - 2.24046
434 - 0 - 2.2531
435 - 0 - 2.26063
436 - 0 - 2.2896
437 - 0 - 2.29526
438 - 0 - 2.30375
439 - 0 - 2.30914
440 - 0 - 2.31251
441 - 0 - 2.32978
442 - 0 - 2.35227
443 - 0 - 2.35546
444 - 0 - 2.36299
445 - 0 - 2.37009
446 - 0 - 2.37219
447 - 0 - 2.38262
448 - 0 - 2.38521
449 - 0 - 2.39471
450 - 0 - 2.42129
451 - 0 - 2.43477
452 - 0 - 2.45434
453 - 0 - 2.46793
454 - 0 - 2.48782
455 - 0 - 2.5212
456 - 0 - 2.52298
457 - 0 - 2.53892
458 - 0 - 2.56353
459 - 0 - 2.57791
460 - 0 - 2.61252
461 - 0 - 2.63439
462 - 0 - 2.63685
463 - 0 - 2.63935
464 - 0 - 2.64787
465 - 0 - 2.65854
466 - 0 - 2.68891
467 - 0 - 2.69441
468 - 0 - 2.70311
469 - 0 - 2.71459
470 - 0 - 2.72074
471 - 0 - 2.73516
472 - 0 - 2.73891
473 - 0 - 2.74331
474 - 0 - 2.76019
475 - 0 - 2.77133
476 - 0 - 2.77584
477 - 0 - 2.79849
478 - 0 - 2.80119
479 - 0 - 2.80383
480 - 0 - 2.82398
481 - 0 - 2.84543
482 - 0 - 2.85792
483 - 0 - 2.86416
484 - 0 - 2.8691
485 - 0 - 2.88039
486 - 0 - 2.88257
487 - 0 - 2.89778
488 - 0 - 2.90467
489 - 0 - 2.91894
490 - 0 - 2.93272
491 - 0 - 2.94864
492 - 0 - 2.97296
493 - 0 - 2.97603
494 - 0 - 2.98776
495 - 0 - 2.99609
496 - 0 - 3.00587
497 - 0 - 3.03346
498 - 0 - 3.03568
499 - 0 - 3.05398
500 - 0 - 3.09538
501 - 0 - 3.10908
502 - 0 - 3.11076
503 - 0 - 3.12183
504 - 0 - 3.12857
505 - 0 - 3.13746
506 - 0 - 3.14376
507 - 0 - 3.15636
508 - 0 - 3.15802
509 - 0 - 3.17186
510 - 0 - 3.19139
511 - 0 - 3.20405
512 - 0 - 3.20753
513 - 0 - 3.21899
514 - 0 - 3.22719
515 - 0 - 3.23278
516 - 0 - 3.25218
517 - 0 - 3.26191
518 - 0 - 3.27609
519 - 0 - 3.29314
520 - 0 - 3.29907
521 - 0 - 3.30274
522 - 0 - 3.31857
523 - 0 - 3.32372
524 - 0 - 3.32759
525 - 0 - 3.33157
526 - 0 - 3.34402
527 - 0 - 3.35429
528 - 0 - 3.36575
529 - 0 - 3.37338
530 - 0 - 3.38144
531 - 0 - 3.38735
532 - 0 - 3.39284
533 - 0 - 3.39882
534 - 0 - 3.42169
535 - 0 - 3.42737
536 - 0 - 3.43853
537 - 0 - 3.45188
538 - 0 - 3.45468
539 - 0 - 3.45853
540 - 0 - 3.46089
541 - 0 - 3.47283
542 - 0 - 3.47756
543 - 0 - 3.48525
544 - 0 - 3.50055
545 - 0 - 3.5152
546 - 0 - 3.52137
547 - 0 - 3.5263
548 - 0 - 3.53826
549 - 0 - 3.54534
550 - 0 - 3.55287
551 - 0 - 3.55572
552 - 0 - 3.56872
553 - 0 - 3.58072
554 - 0 - 3.58843
555 - 0 - 3.59993
556 - 0 - 3.61036
557 - 0 - 3.61347
558 - 0 - 3.61795
559 - 0 - 3.62317
560 - 0 - 3.63466
561 - 0 - 3.64197
562 - 0 - 3.6527
563 - 0 - 3.66617
564 - 0 - 3.6673
565 - 0 - 3.67292
566 - 0 - 3.68578
567 - 0 - 3.68997
568 - 0 - 3.69917
569 - 0 - 3.70639
570 - 0 - 3.7152
571 - 0 - 3.7274
572 - 0 - 3.74806
573 - 0 - 3.74872
574 - 0 - 3.75768
575 - 0 - 3.77575
576 - 0 - 3.78615
577 - 0 - 3.79734
578 - 0 - 3.81238
579 - 0 - 3.82213
580 - 0 - 3.83275
581 - 0 - 3.84567
582 - 0 - 3.84846
583 - 0 - 3.85384
584 - 0 - 3.86651
585 - 0 - 3.89209
586 - 0 - 3.90251
587 - 0 - 3.91247
588 - 0 - 3.93439
589 - 0 - 3.95626
590 - 0 - 3.95772
591 - 0 - 3.97962
592 - 0 - 3.98569
593 - 0 - 3.99983
594 - 0 - 4.01415
595 - 0 - 4.02053
596 - 0 - 4.04186
597 - 0 - 4.07678
598 - 0 - 4.0883
599 - 0 - 4.09797
600 - 0 - 4.10276
601 - 0 - 4.14374
602 - 0 - 4.15655
603 - 0 - 4.16054
604 - 0 - 4.20792
605 - 0 - 4.21613
606 - 0 - 4.22215
607 - 0 - 4.24022
608 - 0 - 4.26253
609 - 0 - 4.27468
610 - 0 - 4.32023
611 - 0 - 4.33446
612 - 0 - 4.34203
613 - 0 - 4.36214
614 - 0 - 4.37999
615 - 0 - 4.47086
616 - 0 - 4.4939
617 - 0 - 4.55533
618 - 0 - 4.57402
619 - 0 - 4.67452
620 - 0 - 4.6828
621 - 0 - 4.77522
622 - 0 - 4.82586
623 - 0 - 4.84757
624 - 0 - 4.89711
625 - 0 - 5.02904
626 - 0 - 5.06574
627 - 0 - 5.09638
628 - 0 - 5.12729
629 - 0 - 5.14944
630 - 0 - 5.23371
631 - 0 - 5.26122
632 - 0 - 5.28234
633 - 0 - 5.29689
634 - 0 - 5.35867
635 - 0 - 5.48639
636 - 0 - 5.50692
637 - 0 - 5.57376
638 - 0 - 5.65837
639 - 0 - 5.86664
640 - 0 - 5.9023
641 - 0 - 6.02516
642 - 0 - 6.12315
643 - 0 - 6.86871
644 - 0 - 6.88462
645 - 0 - 6.92808
646 - 0 - 6.92827
647 - 0 - 6.99763
648 - 0 - 7.03983
649 - 0 - 7.04259
650 - 0 - 7.08721
651 - 0 - 7.09966
652 - 0 - 7.30319
653 - 0 - 7.32156
654 - 0 - 7.3254
655 - 0 - 7.38403
656 - 0 - 7.46019
657 - 0 - 7.52951
658 - 0 - 23.69215
659 - 0 - 23.72073
660 - 0 - 23.9384
661 - 0 - 23.97686
662 - 0 - 23.99936
663 - 0 - 24.01381
664 - 0 - 24.02744
665 - 0 - 24.04428
666 - 0 - 24.08754
667 - 0 - 24.12444
668 - 0 - 24.13309
669 - 0 - 24.14131
670 - 0 - 24.1665
671 - 0 - 24.18264
672 - 0 - 24.20153
673 - 0 - 24.22569
674 - 0 - 24.26219
675 - 0 - 35.70912
676 - 0 - 50.02065
677 - 0 - 50.07036
678 - 0 - 50.08971
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C -0.58635  
2 C -0.02953  
3 C -0.19520  
4 C -0.19316  
5 C 0.14275  
6 N -0.52692  
7 C -0.18568  
8 C -0.09080  
9 C 0.28925  
10 C 0.26403  
11 C -0.27761  
12 C -0.20979  
13 C -0.20125  
14 H 0.22722  
15 H 0.20558  
16 H 0.20972  
17 O -0.57356  
18 C -0.19905  
19 H 0.18924  
20 H 0.17262  
21 H 0.17135  
22 O -0.69058  
23 H 0.49268  
24 H 0.21688  
25 H 0.24006  
26 C 0.70627  
27 O -0.65514  
28 C -0.65855  
29 H 0.21831  
30 H 0.22195  
31 H 0.22722  
32 C -0.19284  
33 C -0.19685  
34 H 0.20433  
35 H 0.21340  
36 H 0.21798  
37 H 0.20413  
38 H 0.20532  
39 H 0.21046  
40 H 0.21213  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.999299610 - -10.030270225
2 C1 Val(2S) 1.077083976 - -0.249330718
3 C1 Ryd(3S) 0.000515894 - 1.012656791
4 C1 Ryd(4S) 0.000039588 - 1.265488854
5 C1 Ryd(5S) 0.000002255 - 22.597532972
6 C1 Val(2p) 1.184979851 - -0.101792752
7 C1 Ryd(4p) 0.001252154 - 0.540076371
8 C1 Ryd(3p) 0.000099546 - 0.294337499
9 C1 Ryd(5p) 0.000046034 - 3.148398464
10 C1 Val(2p) 1.103317328 - -0.096050859
11 C1 Ryd(4p) 0.000948661 - 0.535170816
12 C1 Ryd(3p) 0.000274829 - 0.316215115
13 C1 Ryd(5p) 0.000080022 - 3.180838142
14 C1 Val(2p) 1.210125798 - -0.102485612
15 C1 Ryd(4p) 0.002946664 - 0.588568927
16 C1 Ryd(3p) 0.000087632 - 0.305048904
17 C1 Ryd(5p) 0.000042986 - 3.229347882
18 C1 Ryd(3d) 0.001305103 - 1.893463354
19 C1 Ryd(4d) 0.000074407 - 3.066134604
20 C1 Ryd(3d) 0.001441765 - 1.884756768
21 C1 Ryd(4d) 0.000050645 - 3.048096355
22 C1 Ryd(3d) 0.000503177 - 1.755956486
23 C1 Ryd(4d) 0.000089008 - 2.903779426
24 C1 Ryd(3d) 0.000738325 - 1.702988410
25 C1 Ryd(4d) 0.000042484 - 2.816627145
26 C1 Ryd(3d) 0.000935865 - 1.796111535
27 C1 Ryd(4d) 0.000027886 - 2.964725505
28 C2 Cor(1S) 1.999034876 - -10.044211292
29 C2 Val(2S) 0.889971213 - -0.147132690
30 C2 Ryd(3S) 0.000530475 - 1.037046281
31 C2 Ryd(4S) 0.000086598 - 2.477334009
32 C2 Ryd(5S) 0.000009249 - 20.276597231
33 C2 Val(2p) 1.014825837 - -0.087846398
34 C2 Ryd(3p) 0.002524360 - 0.808641200
35 C2 Ryd(4p) 0.000353592 - 0.838892216
36 C2 Ryd(5p) 0.000084244 - 2.792224490
37 C2 Val(2p) 1.042086080 - -0.071883236
38 C2 Ryd(4p) 0.004888712 - 1.157687453
39 C2 Ryd(3p) 0.000345342 - 1.027065485
40 C2 Ryd(5p) 0.000071772 - 3.037906169
41 C2 Val(2p) 1.065971996 - -0.064764568
42 C2 Ryd(4p) 0.003034655 - 0.951587672
43 C2 Ryd(3p) 0.000484805 - 0.802809826
44 C2 Ryd(5p) 0.000119098 - 3.263321776
45 C2 Ryd(3d) 0.000608316 - 1.487520983
46 C2 Ryd(4d) 0.000304568 - 3.622838835
47 C2 Ryd(3d) 0.000658431 - 1.765433443
48 C2 Ryd(4d) 0.000405510 - 3.546988100
49 C2 Ryd(3d) 0.000608742 - 1.668526777
50 C2 Ryd(4d) 0.000685381 - 3.697393628
51 C2 Ryd(3d) 0.000394421 - 1.333547934
52 C2 Ryd(4d) 0.000344210 - 3.537225463
53 C2 Ryd(3d) 0.000516301 - 1.793986529
54 C2 Ryd(4d) 0.000581276 - 3.569052118
55 C3 Cor(1S) 1.999033764 - -10.029225597
56 C3 Val(2S) 0.936868607 - -0.158893068
57 C3 Ryd(4S) 0.001003286 - 1.429512717
58 C3 Ryd(3S) 0.000058201 - 1.355846269
59 C3 Ryd(5S) 0.000018023 - 20.846321573
60 C3 Val(2p) 1.031864474 - -0.090785226
61 C3 Ryd(4p) 0.002103914 - 0.672657265
62 C3 Ryd(3p) 0.000378676 - 0.538674535
63 C3 Ryd(5p) 0.000061708 - 3.007551479
64 C3 Val(2p) 1.074102242 - -0.067068039
65 C3 Ryd(4p) 0.003777427 - 0.916594954
66 C3 Ryd(3p) 0.000313095 - 0.617498622
67 C3 Ryd(5p) 0.000123687 - 3.277470922
68 C3 Val(2p) 1.134917060 - -0.069302426
69 C3 Ryd(4p) 0.005259567 - 1.048982871
70 C3 Ryd(3p) 0.000263035 - 0.550340114
71 C3 Ryd(5p) 0.000065619 - 3.232212676
72 C3 Ryd(3d) 0.000907187 - 2.078331138
73 C3 Ryd(4d) 0.000250094 - 3.375625585
74 C3 Ryd(3d) 0.000855081 - 1.719219696
75 C3 Ryd(4d) 0.000133296 - 3.272976145
76 C3 Ryd(3d) 0.000670879 - 1.834560461
77 C3 Ryd(4d) 0.000489565 - 3.440027221
78 C3 Ryd(3d) 0.000532764 - 1.667059326
79 C3 Ryd(4d) 0.000136742 - 3.233129718
80 C3 Ryd(3d) 0.000623571 - 1.742734366
81 C3 Ryd(4d) 0.000386110 - 3.340821976
82 C4 Cor(1S) 1.999010848 - -10.029695184
83 C4 Val(2S) 0.945434573 - -0.163826557
84 C4 Ryd(3S) 0.001136878 - 1.531404440
85 C4 Ryd(4S) 0.000047642 - 2.503354553
86 C4 Ryd(5S) 0.000011575 - 19.652915493
87 C4 Val(2p) 1.055204464 - -0.091099532
88 C4 Ryd(4p) 0.002658591 - 0.893344364
89 C4 Ryd(3p) 0.000305226 - 0.548298240
90 C4 Ryd(5p) 0.000068961 - 3.077133895
91 C4 Val(2p) 1.069600775 - -0.067577288
92 C4 Ryd(4p) 0.003257784 - 1.044959568
93 C4 Ryd(3p) 0.000253999 - 0.647449006
94 C4 Ryd(5p) 0.000142713 - 3.222766456
95 C4 Val(2p) 1.105807752 - -0.068800144
96 C4 Ryd(4p) 0.004770502 - 0.965925605
97 C4 Ryd(3p) 0.000257985 - 0.583618924
98 C4 Ryd(5p) 0.000104486 - 3.250661055
99 C4 Ryd(3d) 0.000885674 - 1.750929193
100 C4 Ryd(4d) 0.000181223 - 3.430979313
101 C4 Ryd(3d) 0.000813808 - 1.594619829
102 C4 Ryd(4d) 0.000260633 - 3.416374778
103 C4 Ryd(3d) 0.000809321 - 2.120510645
104 C4 Ryd(4d) 0.000495366 - 3.541434397
105 C4 Ryd(3d) 0.000503790 - 1.691147274
106 C4 Ryd(4d) 0.000221644 - 3.295647408
107 C4 Ryd(3d) 0.000740933 - 1.767055569
108 C4 Ryd(4d) 0.000169409 - 3.439568424
109 C5 Cor(1S) 1.998907906 - -10.070651636
110 C5 Val(2S) 0.830909567 - -0.124032028
111 C5 Ryd(3S) 0.001136726 - 1.260745911
112 C5 Ryd(4S) 0.000028731 - 3.563284102
113 C5 Ryd(5S) 0.000012123 - 18.922298094
114 C5 Val(2p) 1.018557098 - -0.088544484
115 C5 Ryd(4p) 0.004084354 - 0.895440025
116 C5 Ryd(3p) 0.001192913 - 0.492931613
117 C5 Ryd(5p) 0.000094036 - 3.183857468
118 C5 Val(2p) 0.909475148 - -0.042453535
119 C5 Ryd(4p) 0.006244046 - 1.173100513
120 C5 Ryd(3p) 0.001482157 - 0.585414880
121 C5 Ryd(5p) 0.000081930 - 3.405262438
122 C5 Val(2p) 1.074466113 - -0.071305795
123 C5 Ryd(4p) 0.003493859 - 1.103495046
124 C5 Ryd(3p) 0.001182554 - 0.545826710
125 C5 Ryd(5p) 0.000179439 - 3.499151331
126 C5 Ryd(3d) 0.000626511 - 2.574396718
127 C5 Ryd(4d) 0.000470874 - 2.869101198
128 C5 Ryd(4d) 0.000614588 - 2.819649353
129 C5 Ryd(3d) 0.000513506 - 2.747406816
130 C5 Ryd(3d) 0.000911886 - 2.651490324
131 C5 Ryd(4d) 0.000417481 - 3.098283823
132 C5 Ryd(3d) 0.000506434 - 2.527406873
133 C5 Ryd(4d) 0.000504312 - 2.627917830
134 C5 Ryd(3d) 0.000688439 - 2.682422627
135 C5 Ryd(4d) 0.000468833 - 2.724325380
136 N6 Cor(1S) 1.999201646 - -14.169628123
137 N6 Val(2S) 1.210065955 - -0.504025987
138 N6 Ryd(3S) 0.002377363 - 0.832260283
139 N6 Ryd(4S) 0.000752115 - 1.949282998
140 N6 Ryd(5S) 0.000001753 - 35.126486150
141 N6 Val(2p) 1.411926400 - -0.237041160
142 N6 Ryd(3p) 0.006666051 - 0.956771981
143 N6 Ryd(4p) 0.000752343 - 1.014686670
144 N6 Ryd(5p) 0.000061732 - 4.023503359
145 N6 Val(2p) 1.308243078 - -0.241793493
146 N6 Ryd(4p) 0.002845355 - 1.190007472
147 N6 Ryd(3p) 0.001219098 - 1.093547837
148 N6 Ryd(5p) 0.000074025 - 4.049222768
149 N6 Val(2p) 1.567806909 - -0.241740278
150 N6 Ryd(4p) 0.007300334 - 0.832612827
151 N6 Ryd(3p) 0.001002395 - 0.767541041
152 N6 Ryd(5p) 0.000043750 - 4.099369210
153 N6 Ryd(3d) 0.001254715 - 1.799980949
154 N6 Ryd(4d) 0.000220011 - 5.121259547
155 N6 Ryd(3d) 0.001262716 - 1.686382920
156 N6 Ryd(4d) 0.000101964 - 4.979141382
157 N6 Ryd(3d) 0.001022766 - 1.713202893
158 N6 Ryd(4d) 0.000134901 - 5.045449810
159 N6 Ryd(3d) 0.001187296 - 1.864307829
160 N6 Ryd(4d) 0.000184848 - 5.180513575
161 N6 Ryd(3d) 0.001058261 - 1.585498977
162 N6 Ryd(4d) 0.000153816 - 4.917236669
163 C7 Cor(1S) 1.999138255 - -10.062010819
164 C7 Val(2S) 0.991999157 - -0.202092540
165 C7 Ryd(4S) 0.001415554 - 1.317437715
166 C7 Ryd(3S) 0.000052412 - 0.988450446
167 C7 Ryd(5S) 0.000008098 - 23.204256323
168 C7 Val(2p) 0.881586285 - -0.059073689
169 C7 Ryd(4p) 0.002301956 - 0.727008133
170 C7 Ryd(3p) 0.000215560 - 0.523380623
171 C7 Ryd(5p) 0.000141552 - 3.315274649
172 C7 Val(2p) 1.233978399 - -0.098918162
173 C7 Ryd(4p) 0.007843118 - 1.053252310
174 C7 Ryd(3p) 0.000113110 - 0.508741660
175 C7 Ryd(5p) 0.000058181 - 3.406463484
176 C7 Val(2p) 1.056960093 - -0.087277632
177 C7 Ryd(4p) 0.002679494 - 0.745029601
178 C7 Ryd(3p) 0.000238814 - 0.393625429
179 C7 Ryd(5p) 0.000125185 - 3.236218926
180 C7 Ryd(3d) 0.000421065 - 1.858831758
181 C7 Ryd(4d) 0.000469450 - 3.137692559
182 C7 Ryd(3d) 0.001735968 - 1.925880479
183 C7 Ryd(4d) 0.000215559 - 3.493931979
184 C7 Ryd(3d) 0.001178400 - 1.842189718
185 C7 Ryd(4d) 0.000206235 - 3.224065585
186 C7 Ryd(3d) 0.001741387 - 1.937068490
187 C7 Ryd(4d) 0.000112756 - 3.346781194
188 C7 Ryd(3d) 0.000565236 - 1.739935764
189 C7 Ryd(4d) 0.000182902 - 2.958373720
190 C8 Cor(1S) 1.998925845 - -10.029627759
191 C8 Val(2S) 0.885291734 - -0.132957559
192 C8 Ryd(4S) 0.000870073 - 1.262457208
193 C8 Ryd(3S) 0.000096949 - 1.088617386
194 C8 Ryd(5S) 0.000018418 - 21.662890522
195 C8 Val(2p) 1.056367072 - -0.070107509
196 C8 Ryd(4p) 0.004841366 - 1.164154634
197 C8 Ryd(3p) 0.000275780 - 0.642673851
198 C8 Ryd(5p) 0.000079542 - 3.480674292
199 C8 Val(2p) 1.064445771 - -0.057676210
200 C8 Ryd(4p) 0.003708007 - 1.208586712
201 C8 Ryd(3p) 0.000248206 - 0.682293186
202 C8 Ryd(5p) 0.000135444 - 3.646709618
203 C8 Val(2p) 1.065976962 - -0.076005591
204 C8 Ryd(4p) 0.003555253 - 0.984165159
205 C8 Ryd(3p) 0.000310172 - 0.707935071
206 C8 Ryd(5p) 0.000090786 - 3.331694500
207 C8 Ryd(3d) 0.000744061 - 1.952770431
208 C8 Ryd(4d) 0.000482758 - 3.680003164
209 C8 Ryd(3d) 0.000942664 - 1.754945406
210 C8 Ryd(4d) 0.000296479 - 3.655608860
211 C8 Ryd(3d) 0.000814781 - 2.019671827
212 C8 Ryd(4d) 0.000332822 - 3.544937820
213 C8 Ryd(3d) 0.000727176 - 1.783567036
214 C8 Ryd(4d) 0.000462141 - 3.575719977
215 C8 Ryd(3d) 0.000414992 - 1.567433911
216 C8 Ryd(4d) 0.000345599 - 3.493009912
217 C9 Cor(1S) 1.998590061 - -10.095951312
218 C9 Val(2S) 0.819186929 - -0.124528266
219 C9 Ryd(3S) 0.001395917 - 1.821304025
220 C9 Ryd(4S) 0.000108163 - 2.933991316
221 C9 Ryd(5S) 0.000021705 - 17.574212065
222 C9 Val(2p) 1.014728784 - -0.075460696
223 C9 Ryd(4p) 0.004346864 - 1.265679616
224 C9 Ryd(3p) 0.000175091 - 0.618164247
225 C9 Ryd(5p) 0.000167085 - 2.967530429
226 C9 Val(2p) 0.962132086 - -0.066675507
227 C9 Ryd(4p) 0.003795991 - 1.234649142
228 C9 Ryd(3p) 0.000256925 - 0.666040397
229 C9 Ryd(5p) 0.000212716 - 3.055762222
230 C9 Val(2p) 0.893776737 - -0.077903123
231 C9 Ryd(4p) 0.004713207 - 0.990408691
232 C9 Ryd(3p) 0.000448468 - 0.544174238
233 C9 Ryd(5p) 0.000120757 - 3.136342199
234 C9 Ryd(3d) 0.001162658 - 2.462590592
235 C9 Ryd(4d) 0.000606250 - 3.396155702
236 C9 Ryd(3d) 0.000828069 - 2.534807072
237 C9 Ryd(4d) 0.000268426 - 3.447536877
238 C9 Ryd(3d) 0.000806670 - 2.111108867
239 C9 Ryd(4d) 0.000369429 - 3.387562435
240 C9 Ryd(3d) 0.000710308 - 2.222168315
241 C9 Ryd(4d) 0.000319935 - 3.286863567
242 C9 Ryd(3d) 0.001205060 - 2.026354996
243 C9 Ryd(4d) 0.000299581 - 3.000692282
244 C10 Cor(1S) 1.998691100 - -10.100695365
245 C10 Val(2S) 0.823399459 - -0.134804284
246 C10 Ryd(3S) 0.001079140 - 1.509197195
247 C10 Ryd(4S) 0.000092253 - 2.745831725
248 C10 Ryd(5S) 0.000027056 - 18.383314716
249 C10 Val(2p) 1.015124211 - -0.083846959
250 C10 Ryd(4p) 0.002871757 - 1.161250135
251 C10 Ryd(3p) 0.000377099 - 0.665546809
252 C10 Ryd(5p) 0.000173705 - 2.899633712
253 C10 Val(2p) 0.818944418 - -0.052848663
254 C10 Ryd(4p) 0.006145850 - 1.145910290
255 C10 Ryd(3p) 0.000287056 - 0.766125165
256 C10 Ryd(5p) 0.000174471 - 3.120180100
257 C10 Val(2p) 1.057582759 - -0.094757272
258 C10 Ryd(4p) 0.003115294 - 1.037486635
259 C10 Ryd(3p) 0.000413981 - 0.625945506
260 C10 Ryd(5p) 0.000149349 - 2.808612454
261 C10 Ryd(3d) 0.001156813 - 2.136662499
262 C10 Ryd(4d) 0.000415205 - 3.312763164
263 C10 Ryd(3d) 0.001151256 - 2.690355773
264 C10 Ryd(4d) 0.000429944 - 3.244870436
265 C10 Ryd(3d) 0.001065500 - 2.157179525
266 C10 Ryd(4d) 0.000372520 - 3.204975970
267 C10 Ryd(3d) 0.001312293 - 2.079478888
268 C10 Ryd(4d) 0.000428033 - 3.170706213
269 C10 Ryd(3d) 0.000710874 - 1.855333735
270 C10 Ryd(4d) 0.000280006 - 2.967063010
271 C11 Cor(1S) 1.999056369 - -10.028437395
272 C11 Val(2S) 0.942903785 - -0.162763173
273 C11 Ryd(4S) 0.001444073 - 1.254789935
274 C11 Ryd(3S) 0.000082547 - 0.996581381
275 C11 Ryd(5S) 0.000016276 - 21.414480673
276 C11 Val(2p) 1.142514823 - -0.079986755
277 C11 Ryd(4p) 0.003595963 - 1.027578713
278 C11 Ryd(3p) 0.000487063 - 0.471622527
279 C11 Ryd(5p) 0.000060771 - 3.213783236
280 C11 Val(2p) 1.083084953 - -0.070965866
281 C11 Ryd(4p) 0.003201883 - 0.888028946
282 C11 Ryd(3p) 0.000490990 - 0.638802732
283 C11 Ryd(5p) 0.000144988 - 3.262643481
284 C11 Val(2p) 1.091360306 - -0.086192930
285 C11 Ryd(4p) 0.003058626 - 0.817210177
286 C11 Ryd(3p) 0.000497417 - 0.512114481
287 C11 Ryd(5p) 0.000088477 - 3.060019532
288 C11 Ryd(3d) 0.000873479 - 1.798458244
289 C11 Ryd(4d) 0.000209543 - 3.468319814
290 C11 Ryd(3d) 0.001005349 - 1.676055215
291 C11 Ryd(4d) 0.000277502 - 3.444152637
292 C11 Ryd(3d) 0.001028869 - 2.048352537
293 C11 Ryd(4d) 0.000374008 - 3.449309611
294 C11 Ryd(3d) 0.000517951 - 1.772340774
295 C11 Ryd(4d) 0.000466879 - 3.396944103
296 C11 Ryd(3d) 0.000676240 - 1.496383799
297 C11 Ryd(4d) 0.000090943 - 3.249153226
298 C12 Cor(1S) 1.999170513 - -10.021316858
299 C12 Val(2S) 0.940752120 - -0.154352502
300 C12 Ryd(4S) 0.001380293 - 1.482576799
301 C12 Ryd(3S) 0.000086442 - 1.291222197
302 C12 Ryd(5S) 0.000008575 - 20.665337874
303 C12 Val(2p) 1.067239701 - -0.061347837
304 C12 Ryd(4p) 0.004012552 - 0.756498124
305 C12 Ryd(3p) 0.000340642 - 0.587060449
306 C12 Ryd(5p) 0.000114617 - 3.153591193
307 C12 Val(2p) 1.084192615 - -0.053001110
308 C12 Ryd(4p) 0.004639842 - 0.904518203
309 C12 Ryd(3p) 0.000341975 - 0.563293505
310 C12 Ryd(5p) 0.000108801 - 3.231177802
311 C12 Val(2p) 1.098039682 - -0.073744635
312 C12 Ryd(4p) 0.004052676 - 0.848983265
313 C12 Ryd(3p) 0.000291333 - 0.441144850
314 C12 Ryd(5p) 0.000052121 - 3.051531799
315 C12 Ryd(3d) 0.000776921 - 2.188152268
316 C12 Ryd(4d) 0.000439350 - 3.431083496
317 C12 Ryd(3d) 0.000967153 - 1.823712705
318 C12 Ryd(4d) 0.000203685 - 3.384397228
319 C12 Ryd(3d) 0.000684517 - 1.660110621
320 C12 Ryd(4d) 0.000410918 - 3.377218618
321 C12 Ryd(3d) 0.000503794 - 1.745910371
322 C12 Ryd(4d) 0.000290646 - 3.346292511
323 C12 Ryd(3d) 0.000507092 - 1.601177773
324 C12 Ryd(4d) 0.000186378 - 3.160435350
325 C13 Cor(1S) 1.999063071 - -10.013058932
326 C13 Val(2S) 0.938937168 - -0.144374094
327 C13 Ryd(4S) 0.001536159 - 1.412186177
328 C13 Ryd(3S) 0.000112586 - 0.837942900
329 C13 Ryd(5S) 0.000012732 - 21.609977371
330 C13 Val(2p) 1.069074907 - -0.059519732
331 C13 Ryd(4p) 0.003507541 - 1.017012777
332 C13 Ryd(3p) 0.000344787 - 0.506449144
333 C13 Ryd(5p) 0.000101331 - 3.287208882
334 C13 Val(2p) 1.143724498 - -0.052223766
335 C13 Ryd(4p) 0.004997208 - 1.121708927
336 C13 Ryd(3p) 0.000350208 - 0.446228124
337 C13 Ryd(5p) 0.000059214 - 3.404485309
338 C13 Val(2p) 1.031286160 - -0.065159792
339 C13 Ryd(4p) 0.002577898 - 0.770436793
340 C13 Ryd(3p) 0.000447826 - 0.533150160
341 C13 Ryd(5p) 0.000100517 - 3.151083087
342 C13 Ryd(3d) 0.000775392 - 1.786505399
343 C13 Ryd(4d) 0.000361610 - 3.464848553
344 C13 Ryd(3d) 0.001011749 - 2.162973279
345 C13 Ryd(4d) 0.000252077 - 3.466480987
346 C13 Ryd(3d) 0.000906529 - 1.786237146
347 C13 Ryd(4d) 0.000211332 - 3.367918772
348 C13 Ryd(3d) 0.000512627 - 1.752600882
349 C13 Ryd(4d) 0.000296446 - 3.361548502
350 C13 Ryd(3d) 0.000429923 - 1.578980972
351 C13 Ryd(4d) 0.000260747 - 3.257807670
352 H14 Val(1S) 0.771117375 - 0.077953295
353 H14 Ryd(2S) 0.000851345 - 1.600103974
354 H14 Ryd(3S) 0.000181089 - 1.600750448
355 H14 Ryd(2p) 0.000178562 - 2.492006036
356 H14 Ryd(2p) 0.000330050 - 2.811102870
357 H14 Ryd(2p) 0.000126576 - 2.338800267
358 H15 Val(1S) 0.792960641 - 0.054633744
359 H15 Ryd(2S) 0.000634450 - 1.123947805
360 H15 Ryd(3S) 0.000156988 - 1.999367248
361 H15 Ryd(2p) 0.000151709 - 2.423960110
362 H15 Ryd(2p) 0.000220323 - 2.594362975
363 H15 Ryd(2p) 0.000299810 - 2.428127440
364 H16 Val(1S) 0.788577160 - 0.040684217
365 H16 Ryd(2S) 0.000830665 - 1.166579897
366 H16 Ryd(3S) 0.000147094 - 1.811856507
367 H16 Ryd(2p) 0.000361901 - 2.617856615
368 H16 Ryd(2p) 0.000107680 - 2.502018494
369 H16 Ryd(2p) 0.000250896 - 2.382140989
370 O17 Cor(1S) 1.999707159 - -18.972245570
371 O17 Val(2S) 1.591669679 - -0.884268088
372 O17 Ryd(4S) 0.002335169 - 1.470638317
373 O17 Ryd(3S) 0.000051833 - 1.262798744
374 O17 Ryd(5S) 0.000000452 - 49.373832889
375 O17 Val(2p) 1.594029331 - -0.332100032
376 O17 Ryd(4p) 0.002701760 - 1.064839669
377 O17 Ryd(3p) 0.000588032 - 0.888144586
378 O17 Ryd(5p) 0.000024781 - 5.054675713
379 O17 Val(2p) 1.577695606 - -0.335762872
380 O17 Ryd(3p) 0.003045016 - 0.756422706
381 O17 Ryd(4p) 0.000899566 - 0.813250356
382 O17 Ryd(5p) 0.000059184 - 5.003156744
383 O17 Val(2p) 1.791544079 - -0.341342198
384 O17 Ryd(3p) 0.004082403 - 0.680934727
385 O17 Ryd(4p) 0.000681951 - 0.821001384
386 O17 Ryd(5p) 0.000033017 - 5.054732979
387 O17 Ryd(3d) 0.000783404 - 2.514855751
388 O17 Ryd(4d) 0.000047682 - 7.140446984
389 O17 Ryd(3d) 0.000923795 - 2.416166068
390 O17 Ryd(4d) 0.000017207 - 7.020493330
391 O17 Ryd(3d) 0.000719349 - 2.463836117
392 O17 Ryd(4d) 0.000027587 - 7.019938570
393 O17 Ryd(3d) 0.000791548 - 2.454032593
394 O17 Ryd(4d) 0.000036671 - 7.120674429
395 O17 Ryd(3d) 0.001019450 - 2.241580712
396 O17 Ryd(4d) 0.000043596 - 6.843611044
397 C18 Cor(1S) 1.999259400 - -10.113245872
398 C18 Val(2S) 1.080112894 - -0.285466046
399 C18 Ryd(3S) 0.002231042 - 0.896399972
400 C18 Ryd(4S) 0.000037666 - 1.079683819
401 C18 Ryd(5S) 0.000003697 - 22.999722718
402 C18 Val(2p) 0.865010270 - -0.099106285
403 C18 Ryd(3p) 0.002405760 - 0.567591594
404 C18 Ryd(4p) 0.000304940 - 1.152635530
405 C18 Ryd(5p) 0.000046601 - 2.001838129
406 C18 Val(2p) 1.144510573 - -0.123676637
407 C18 Ryd(3p) 0.001815586 - 0.753563612
408 C18 Ryd(4p) 0.000375201 - 1.215401441
409 C18 Ryd(5p) 0.000041059 - 1.978137075
410 C18 Val(2p) 1.094145353 - -0.115959492
411 C18 Ryd(3p) 0.001896478 - 0.587583101
412 C18 Ryd(4p) 0.000441435 - 1.179394302
413 C18 Ryd(5p) 0.000040372 - 2.019941597
414 C18 Ryd(3d) 0.001260849 - 2.447132718
415 C18 Ryd(4d) 0.000104928 - 2.679931313
416 C18 Ryd(3d) 0.001090058 - 2.342687476
417 C18 Ryd(4d) 0.000180895 - 2.728090180
418 C18 Ryd(3d) 0.000666012 - 2.368227654
419 C18 Ryd(4d) 0.000266054 - 2.599861796
420 C18 Ryd(3d) 0.001289380 - 2.377068906
421 C18 Ryd(4d) 0.000213054 - 2.524366530
422 C18 Ryd(3d) 0.001215707 - 2.475687922
423 C18 Ryd(4d) 0.000087564 - 2.521752126
424 H19 Val(1S) 0.809573217 - 0.002316846
425 H19 Ryd(2S) 0.000349996 - 0.476563936
426 H19 Ryd(3S) 0.000116617 - 2.245465813
427 H19 Ryd(2p) 0.000088123 - 1.891145302
428 H19 Ryd(2p) 0.000430984 - 2.607300877
429 H19 Ryd(2p) 0.000197815 - 1.947486271
430 H20 Val(1S) 0.824846541 - -0.007791921
431 H20 Ryd(2S) 0.001624323 - 0.531755226
432 H20 Ryd(3S) 0.000153906 - 2.273270342
433 H20 Ryd(2p) 0.000276057 - 2.482021808
434 H20 Ryd(2p) 0.000319641 - 2.163766831
435 H20 Ryd(2p) 0.000156273 - 1.841796764
436 H21 Val(1S) 0.826129344 - -0.008666052
437 H21 Ryd(2S) 0.001617929 - 0.532610179
438 H21 Ryd(3S) 0.000151423 - 2.278960607
439 H21 Ryd(2p) 0.000135225 - 1.839461726
440 H21 Ryd(2p) 0.000153878 - 1.885962330
441 H21 Ryd(2p) 0.000466541 - 2.760186779
442 O22 Cor(1S) 1.999750862 - -18.935269340
443 O22 Val(2S) 1.654296455 - -0.911472963
444 O22 Ryd(4S) 0.000273017 - 2.344366424
445 O22 Ryd(3S) 0.000126256 - 1.282004272
446 O22 Ryd(5S) 0.000000507 - 49.634614928
447 O22 Val(2p) 1.771506240 - -0.322741653
448 O22 Ryd(3p) 0.001867799 - 0.787796302
449 O22 Ryd(4p) 0.000287830 - 1.263649055
450 O22 Ryd(5p) 0.000033370 - 5.211262718
451 O22 Val(2p) 1.522861220 - -0.306019681
452 O22 Ryd(3p) 0.001909297 - 0.779683986
453 O22 Ryd(4p) 0.000099881 - 1.269792832
454 O22 Ryd(5p) 0.000025940 - 5.380573155
455 O22 Val(2p) 1.719442306 - -0.322560349
456 O22 Ryd(3p) 0.002383086 - 0.563708349
457 O22 Ryd(4p) 0.000194334 - 1.109445351
458 O22 Ryd(5p) 0.000033014 - 5.103748967
459 O22 Ryd(3d) 0.004431682 - 1.982193914
460 O22 Ryd(4d) 0.000022612 - 6.971853773
461 O22 Ryd(3d) 0.003493089 - 1.807860366
462 O22 Ryd(4d) 0.000026183 - 6.956225895
463 O22 Ryd(3d) 0.002193067 - 1.829133530
464 O22 Ryd(4d) 0.000013592 - 6.946005668
465 O22 Ryd(3d) 0.001984838 - 1.701457220
466 O22 Ryd(4d) 0.000029951 - 6.896053015
467 O22 Ryd(3d) 0.003258419 - 1.844476411
468 O22 Ryd(4d) 0.000033695 - 6.935759929
469 H23 Val(1S) 0.504575586 - 0.116811927
470 H23 Ryd(3S) 0.001155042 - 2.017818107
471 H23 Ryd(2S) 0.000127532 - 1.052129022
472 H23 Ryd(2p) 0.000541992 - 2.373333995
473 H23 Ryd(2p) 0.000376192 - 2.754319112
474 H23 Ryd(2p) 0.000540313 - 2.105102037
475 H24 Val(1S) 0.781605315 - 0.047853101
476 H24 Ryd(2S) 0.000745682 - 1.272432597
477 H24 Ryd(3S) 0.000172551 - 1.785712491
478 H24 Ryd(2p) 0.000095212 - 2.473148573
479 H24 Ryd(2p) 0.000184251 - 2.432335159
480 H24 Ryd(2p) 0.000312226 - 2.825059393
481 H25 Val(1S) 0.758074070 - 0.059290533
482 H25 Ryd(2S) 0.001097873 - 1.510272783
483 H25 Ryd(3S) 0.000179665 - 1.513736537
484 H25 Ryd(2p) 0.000108855 - 2.426302701
485 H25 Ryd(2p) 0.000288800 - 2.833837959
486 H25 Ryd(2p) 0.000190215 - 2.386096329
487 C26 Cor(1S) 1.999320441 - -10.140589997
488 C26 Val(2S) 0.777933245 - -0.111805445
489 C26 Ryd(3S) 0.003800342 - 0.872172750
490 C26 Ryd(4S) 0.000077298 - 3.754424552
491 C26 Ryd(5S) 0.000043174 - 19.489796799
492 C26 Val(2p) 0.890817542 - -0.057120836
493 C26 Ryd(4p) 0.006585849 - 1.299021708
494 C26 Ryd(3p) 0.000269691 - 0.791000020
495 C26 Ryd(5p) 0.000156611 - 2.333216887
496 C26 Val(2p) 0.768120505 - 0.018587360
497 C26 Ryd(4p) 0.013159241 - 1.118974999
498 C26 Ryd(3p) 0.000373733 - 0.733010010
499 C26 Ryd(5p) 0.000119885 - 2.519639396
500 C26 Val(2p) 0.823184506 - -0.084186844
501 C26 Ryd(4p) 0.002683054 - 1.019915317
502 C26 Ryd(3p) 0.000332080 - 0.698317939
503 C26 Ryd(5p) 0.000171620 - 2.418351755
504 C26 Ryd(4d) 0.001604525 - 3.199748825
505 C26 Ryd(3d) 0.000071563 - 3.153030696
506 C26 Ryd(3d) 0.000565050 - 2.863050194
507 C26 Ryd(4d) 0.000049056 - 2.976314485
508 C26 Ryd(4d) 0.001787363 - 2.937873430
509 C26 Ryd(3d) 0.000110430 - 2.800929924
510 C26 Ryd(3d) 0.001630883 - 3.235470576
511 C26 Ryd(4d) 0.000073563 - 3.250061423
512 C26 Ryd(4d) 0.000624327 - 2.808301668
513 C26 Ryd(3d) 0.000066201 - 2.757938359
514 O27 Cor(1S) 1.999750073 - -18.815083682
515 O27 Val(2S) 1.697732206 - -0.861291445
516 O27 Ryd(4S) 0.000393367 - 1.903725873
517 O27 Ryd(3S) 0.000143166 - 1.696896931
518 O27 Ryd(5S) 0.000000217 - 49.499962686
519 O27 Val(2p) 1.706400533 - -0.243181522
520 O27 Ryd(3p) 0.002352069 - 0.733835975
521 O27 Ryd(4p) 0.000076915 - 1.391209949
522 O27 Ryd(5p) 0.000020637 - 5.055419219
523 O27 Val(2p) 1.634545030 - -0.265560611
524 O27 Ryd(3p) 0.000925412 - 0.775981198
525 O27 Ryd(4p) 0.000119879 - 1.543036524
526 O27 Ryd(5p) 0.000043269 - 5.147837456
527 O27 Val(2p) 1.590042632 - -0.230906380
528 O27 Ryd(3p) 0.002063739 - 0.636778851
529 O27 Ryd(4p) 0.000035585 - 1.271490569
530 O27 Ryd(5p) 0.000008227 - 4.916094618
531 O27 Ryd(3d) 0.005977549 - 1.960863876
532 O27 Ryd(4d) 0.000035581 - 7.018132596
533 O27 Ryd(3d) 0.001364131 - 1.658667533
534 O27 Ryd(4d) 0.000017659 - 6.870847167
535 O27 Ryd(3d) 0.004626157 - 1.688460250
536 O27 Ryd(4d) 0.000036210 - 6.920597170
537 O27 Ryd(3d) 0.005964784 - 1.883011104
538 O27 Ryd(4d) 0.000059051 - 7.011453111
539 O27 Ryd(3d) 0.002383375 - 1.716272159
540 O27 Ryd(4d) 0.000017569 - 6.885153291
541 C28 Cor(1S) 1.999269802 - -10.025473961
542 C28 Val(2S) 1.113674925 - -0.258704943
543 C28 Ryd(4S) 0.000422077 - 0.991306851
544 C28 Ryd(3S) 0.000146950 - 0.898715507
545 C28 Ryd(5S) 0.000002674 - 23.398274522
546 C28 Val(2p) 1.122604061 - -0.100207356
547 C28 Ryd(4p) 0.001021733 - 0.693110629
548 C28 Ryd(3p) 0.000247569 - 0.475258630
549 C28 Ryd(5p) 0.000052188 - 2.747406363
550 C28 Val(2p) 1.232105248 - -0.095999955
551 C28 Ryd(4p) 0.001795286 - 0.835255127
552 C28 Ryd(3p) 0.000105723 - 0.614952397
553 C28 Ryd(5p) 0.000042817 - 2.920315216
554 C28 Val(2p) 1.179812279 - -0.101362975
555 C28 Ryd(4p) 0.000459744 - 0.640126458
556 C28 Ryd(3p) 0.000178485 - 0.473006984
557 C28 Ryd(5p) 0.000042750 - 2.781816842
558 C28 Ryd(3d) 0.001195995 - 1.510124427
559 C28 Ryd(4d) 0.000131215 - 3.183573260
560 C28 Ryd(3d) 0.001504455 - 1.663409311
561 C28 Ryd(4d) 0.000029030 - 3.231323790
562 C28 Ryd(3d) 0.001316317 - 1.470209578
563 C28 Ryd(4d) 0.000141546 - 3.154575036
564 C28 Ryd(3d) 0.001306689 - 1.627741513
565 C28 Ryd(4d) 0.000081039 - 3.219006063
566 C28 Ryd(3d) 0.000763748 - 1.498971408
567 C28 Ryd(4d) 0.000099893 - 3.158410877
568 H29 Val(1S) 0.780388181 - 0.035094556
569 H29 Ryd(2S) 0.000702149 - 1.053577350
570 H29 Ryd(3S) 0.000185114 - 1.804120654
571 H29 Ryd(2p) 0.000163033 - 2.518672284
572 H29 Ryd(2p) 0.000137290 - 2.224510054
573 H29 Ryd(2p) 0.000115152 - 2.139644012
574 H30 Val(1S) 0.776673591 - 0.031295666
575 H30 Ryd(2S) 0.000760818 - 0.915869736
576 H30 Ryd(3S) 0.000156554 - 1.965904710
577 H30 Ryd(2p) 0.000115593 - 1.998766554
578 H30 Ryd(2p) 0.000147111 - 2.098606336
579 H30 Ryd(2p) 0.000201282 - 2.746980243
580 H31 Val(1S) 0.771234865 - 0.050120691
581 H31 Ryd(2S) 0.000965179 - 0.988298876
582 H31 Ryd(3S) 0.000115933 - 1.817778143
583 H31 Ryd(2p) 0.000122939 - 2.150361329
584 H31 Ryd(2p) 0.000237092 - 2.753497222
585 H31 Ryd(2p) 0.000107945 - 1.992236184
586 C32 Cor(1S) 1.999004943 - -10.030531660
587 C32 Val(2S) 0.943970585 - -0.164025366
588 C32 Ryd(3S) 0.001219359 - 1.482358010
589 C32 Ryd(4S) 0.000053747 - 1.634217127
590 C32 Ryd(5S) 0.000014765 - 20.600268936
591 C32 Val(2p) 1.018604174 - -0.092254239
592 C32 Ryd(4p) 0.002065025 - 0.760185277
593 C32 Ryd(3p) 0.000318693 - 0.465518931
594 C32 Ryd(5p) 0.000085049 - 3.000220666
595 C32 Val(2p) 1.075844409 - -0.068615237
596 C32 Ryd(4p) 0.003293781 - 1.067241653
597 C32 Ryd(3p) 0.000187669 - 0.599672689
598 C32 Ryd(5p) 0.000138411 - 3.244724172
599 C32 Val(2p) 1.137300777 - -0.070649496
600 C32 Ryd(4p) 0.005368936 - 1.098561528
601 C32 Ryd(3p) 0.000269209 - 0.460555242
602 C32 Ryd(5p) 0.000079181 - 3.313124827
603 C32 Ryd(3d) 0.000868120 - 2.041065697
604 C32 Ryd(4d) 0.000270552 - 3.411843762
605 C32 Ryd(3d) 0.000873586 - 1.715776753
606 C32 Ryd(4d) 0.000118553 - 3.340006569
607 C32 Ryd(3d) 0.000771030 - 1.834428940
608 C32 Ryd(4d) 0.000459477 - 3.540318716
609 C32 Ryd(3d) 0.000531907 - 1.629584861
610 C32 Ryd(4d) 0.000154923 - 3.320794378
611 C32 Ryd(3d) 0.000641246 - 1.726344394
612 C32 Ryd(4d) 0.000331632 - 3.427392155
613 C33 Cor(1S) 1.999037966 - -10.029554256
614 C33 Val(2S) 0.937586318 - -0.159476813
615 C33 Ryd(4S) 0.000913832 - 1.465241106
616 C33 Ryd(3S) 0.000054990 - 1.274429948
617 C33 Ryd(5S) 0.000017015 - 20.800998540
618 C33 Val(2p) 1.066688111 - -0.093622802
619 C33 Ryd(4p) 0.003046478 - 0.785142343
620 C33 Ryd(3p) 0.000332881 - 0.476199884
621 C33 Ryd(5p) 0.000042202 - 2.983254186
622 C33 Val(2p) 1.068441581 - -0.067007186
623 C33 Ryd(4p) 0.003619760 - 0.888025525
624 C33 Ryd(3p) 0.000292758 - 0.630655082
625 C33 Ryd(5p) 0.000110394 - 3.278774534
626 C33 Val(2p) 1.106854133 - -0.066300459
627 C33 Ryd(4p) 0.004444812 - 0.934796328
628 C33 Ryd(3p) 0.000281250 - 0.626465888
629 C33 Ryd(5p) 0.000083707 - 3.203269088
630 C33 Ryd(3d) 0.000862860 - 1.776403558
631 C33 Ryd(4d) 0.000146718 - 3.314183802
632 C33 Ryd(3d) 0.000739210 - 1.636096175
633 C33 Ryd(4d) 0.000326845 - 3.287184806
634 C33 Ryd(3d) 0.000748689 - 2.150464851
635 C33 Ryd(4d) 0.000520694 - 3.479639802
636 C33 Ryd(3d) 0.000592667 - 1.739269628
637 C33 Ryd(4d) 0.000180520 - 3.201770557
638 C33 Ryd(3d) 0.000720820 - 1.774506677
639 C33 Ryd(4d) 0.000164718 - 3.317791559
640 H34 Val(1S) 0.794133114 - 0.042148080
641 H34 Ryd(2S) 0.000713396 - 1.300968467
642 H34 Ryd(3S) 0.000160873 - 1.769824281
643 H34 Ryd(2p) 0.000271096 - 2.299174316
644 H34 Ryd(2p) 0.000136730 - 2.518523057
645 H34 Ryd(2p) 0.000257294 - 2.649965132
646 H35 Val(1S) 0.785173152 - 0.044667288
647 H35 Ryd(2S) 0.000629158 - 1.525601699
648 H35 Ryd(3S) 0.000154761 - 1.648403194
649 H35 Ryd(2p) 0.000155536 - 2.225933205
650 H35 Ryd(2p) 0.000154809 - 2.581821741
651 H35 Ryd(2p) 0.000334229 - 2.759330682
652 H36 Val(1S) 0.780582556 - 0.050446565
653 H36 Ryd(2S) 0.000672273 - 1.621602392
654 H36 Ryd(3S) 0.000140842 - 1.651621930
655 H36 Ryd(2p) 0.000272832 - 2.364612704
656 H36 Ryd(2p) 0.000132190 - 2.569645914
657 H36 Ryd(2p) 0.000222590 - 2.665747578
658 H37 Val(1S) 0.794389535 - 0.040870546
659 H37 Ryd(2S) 0.000653384 - 1.311606847
660 H37 Ryd(3S) 0.000152629 - 1.783162384
661 H37 Ryd(2p) 0.000164214 - 2.202677367
662 H37 Ryd(2p) 0.000157472 - 2.536096330
663 H37 Ryd(2p) 0.000348842 - 2.736260651
664 H38 Val(1S) 0.793383898 - 0.027294196
665 H38 Ryd(2S) 0.000760264 - 0.770429743
666 H38 Ryd(3S) 0.000088542 - 2.018939744
667 H38 Ryd(2p) 0.000134833 - 2.162255098
668 H38 Ryd(2p) 0.000126591 - 2.222956679
669 H38 Ryd(2p) 0.000183679 - 2.518631872
670 H39 Val(1S) 0.788206242 - 0.026138558
671 H39 Ryd(2S) 0.000774851 - 0.661051429
672 H39 Ryd(3S) 0.000101808 - 2.182780277
673 H39 Ryd(2p) 0.000156655 - 2.381321918
674 H39 Ryd(2p) 0.000192497 - 2.448051181
675 H39 Ryd(2p) 0.000107039 - 2.047532173
676 H40 Val(1S) 0.786536914 - 0.025760712
677 H40 Ryd(2S) 0.000769827 - 0.642770446
678 H40 Ryd(3S) 0.000102870 - 2.199457956
679 H40 Ryd(2p) 0.000169067 - 2.360406147
680 H40 Ryd(2p) 0.000113040 - 2.046736293
681 H40 Ryd(2p) 0.000174646 - 2.437402811

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(C2) 1s(30.54%)p2.27(69.36%)d0.00(0.10%) 0.980765667 - -0.103277512
2 BD(1)C2(C1) 2s(31.35%)p2.19(68.60%)d0.00(0.05%) 1.017983902 - -0.119969010
3 BD(1)C1(H38) 1s(23.45%)p3.26(76.47%)d0.00(0.08%) 1.199922247 - -0.142895869
4 BD(1)H38(C1) 38s(99.98%)p0.00(0.02%) 0.793580110 - 0.028695173
5 BD(1)C1(H39) 1s(23.09%)p3.33(76.82%)d0.00(0.09%) 1.200515481 - -0.144418647
6 BD(1)H39(C1) 39s(99.98%)p0.00(0.02%) 0.788399359 - 0.027656661
7 BD(1)C1(H40) 1s(22.93%)p3.36(76.98%)d0.00(0.09%) 1.200385607 - -0.144821723
8 BD(1)H40(C1) 40s(99.98%)p0.00(0.02%) 0.786725582 - 0.027361563
9 BD(1)C2(C3) 2s(34.10%)p1.93(65.82%)d0.00(0.07%) 1.008796859 - -0.068719050
10 BD(1)C3(C2) 3s(36.05%)p1.77(63.84%)d0.00(0.11%) 0.988919472 - -0.057936097
11 BD(1)C2(C33) 2s(34.43%)p1.90(65.50%)d0.00(0.07%) 1.009343444 - -0.067319026
12 BD(1)C33(C2) 33s(36.15%)p1.76(63.74%)d0.00(0.11%) 0.987864789 - -0.056679249
13 BD(2)C2(C33) 2s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.980017091 - -0.105572661
14 BD(2)C33(C2) 33s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.008472627 - -0.113993098
15 BD(1)C3(C4) 3s(35.83%)p1.79(64.05%)d0.00(0.11%) 0.991915989 - -0.063664611
16 BD(1)C4(C3) 4s(35.93%)p1.78(63.97%)d0.00(0.10%) 0.997101254 - -0.063691596
17 BD(2)C3(C4) 3s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.005039622 - -0.113697592
18 BD(2)C4(C3) 4s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.983593803 - -0.112567295
19 BD(1)C3(H37) 3s(27.96%)p2.57(71.99%)d0.00(0.04%) 1.198506901 - -0.134433740
20 BD(1)H37(C3) 37s(99.96%)p0.00(0.04%) 0.794741199 - 0.043413956
21 BD(1)C4(C5) 4s(35.64%)p1.80(64.24%)d0.00(0.12%) 0.992422768 - -0.062841587
22 BD(1)C5(C4) 5s(36.43%)p1.74(63.51%)d0.00(0.07%) 1.008015837 - -0.074571648
23 BD(1)C4(H36) 4s(28.28%)p2.53(71.67%)d0.00(0.05%) 1.209367351 - -0.135304964
24 BD(1)H36(C4) 36s(99.96%)p0.00(0.04%) 0.780895343 - 0.052921965
25 BD(1)C5(N6) 5s(26.98%)p2.70(72.95%)d0.00(0.07%) 0.775272328 - -0.042132748
26 BD(1)N6(C5) 6s(33.90%)p1.95(66.01%)d0.00(0.10%) 1.245699854 - -0.317943724
27 BD(1)C5(C32) 5s(36.45%)p1.74(63.48%)d0.00(0.07%) 1.007534358 - -0.073376309
28 BD(1)C32(C5) 32s(35.80%)p1.79(64.09%)d0.00(0.12%) 0.993310086 - -0.062934443
29 BD(2)C5(C32) 5s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.046035735 - -0.119921243
30 BD(2)C32(C5) 32s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.985716220 - -0.113014230
31 BD(1)N6(C7) 6s(30.79%)p2.25(69.15%)d0.00(0.05%) 1.266396579 - -0.322687723
32 BD(1)C7(N6) 7s(22.12%)p3.51(77.72%)d0.01(0.16%) 0.746238326 - -0.053116019
33 BD(1)N6(C26) 6s(35.12%)p1.84(64.75%)d0.00(0.13%) 1.297466544 - -0.335729037
34 BD(1)C26(N6) 26s(31.17%)p2.20(68.73%)d0.00(0.10%) 0.772503281 - -0.005940489
35 BD(1)C7(C8) 7s(29.95%)p2.34(69.95%)d0.00(0.10%) 0.982600305 - -0.097079204
36 BD(1)C8(C7) 8s(31.15%)p2.21(68.81%)d0.00(0.04%) 1.018351467 - -0.106914397
37 BD(1)C7(H24) 7s(24.13%)p3.14(75.78%)d0.00(0.09%) 1.211658993 - -0.136530330
38 BD(1)H24(C7) 24s(99.96%)p0.00(0.04%) 0.781901783 - 0.049540160
39 BD(1)C7(H25) 7s(23.82%)p3.19(76.09%)d0.00(0.09%) 1.230919108 - -0.138341600
40 BD(1)H25(C7) 25s(99.96%)p0.00(0.04%) 0.758367341 - 0.061749480
41 BD(1)C8(C9) 8s(33.52%)p1.98(66.38%)d0.00(0.10%) 0.989737084 - -0.057320566
42 BD(1)C9(C8) 9s(39.33%)p1.54(60.62%)d0.00(0.04%) 1.008246030 - -0.064388198
43 BD(2)C8(C9) 8s(0.01%)p1.00(99.95%)d0.00(0.04%) 1.047838207 - -0.100986009
44 BD(2)C9(C8) 9s(0.01%)p1.00(99.93%)d0.00(0.06%) 1.006037032 - -0.117291757
45 BD(1)C8(C13) 8s(35.23%)p1.84(64.69%)d0.00(0.08%) 1.019795283 - -0.061686465
46 BD(1)C13(C8) 13s(34.94%)p1.86(64.96%)d0.00(0.11%) 0.970541372 - -0.039352203
47 BD(1)C9(C10) 9s(36.00%)p1.78(63.92%)d0.00(0.07%) 1.001263927 - -0.082393429
48 BD(1)C10(C9) 10s(35.38%)p1.82(64.55%)d0.00(0.07%) 1.003373173 - -0.080261136
49 BD(1)C9(O22) 9s(24.41%)p3.09(75.48%)d0.00(0.12%) 0.679829329 - -0.074234641
50 BD(1)O22(C9) 22s(33.47%)p1.98(66.28%)d0.01(0.25%) 1.333028267 - -0.483599466
51 BD(1)C10(C11) 10s(40.46%)p1.47(59.48%)d0.00(0.06%) 1.017284829 - -0.084361401
52 BD(1)C11(C10) 11s(34.26%)p1.91(65.60%)d0.00(0.14%) 0.984467119 - -0.063787903
53 BD(2)C10(C11) 10s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.042556230 - -0.125126131
54 BD(2)C11(C10) 11s(0.00%)p1.00(99.95%)d0.00(0.05%) 1.070188291 - -0.117194272
55 BD(1)C10(O17) 10s(23.89%)p3.18(75.92%)d0.01(0.19%) 0.657323712 - -0.061554370
56 BD(1)O17(C10) 17s(33.13%)p2.02(66.81%)d0.00(0.06%) 1.362445652 - -0.498541853
57 BD(1)C11(C12) 11s(36.62%)p1.73(63.27%)d0.00(0.11%) 1.011589168 - -0.065158868
58 BD(1)C12(C11) 12s(35.06%)p1.85(64.82%)d0.00(0.12%) 0.976256974 - -0.052776456
59 BD(1)C11(H16) 11s(28.98%)p2.45(70.98%)d0.00(0.04%) 1.201107704 - -0.136058545
60 BD(1)H16(C11) 16s(99.96%)p0.00(0.04%) 0.788936243 - 0.043300941
61 BD(1)C12(C13) 12s(36.34%)p1.75(63.55%)d0.00(0.11%) 0.994622436 - -0.047274813
62 BD(1)C13(C12) 13s(36.06%)p1.77(63.83%)d0.00(0.10%) 0.997236569 - -0.048378482
63 BD(2)C12(C13) 12s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.028591690 - -0.103831133
64 BD(2)C13(C12) 13s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.002296807 - -0.097836547
65 BD(1)C12(H15) 12s(28.49%)p2.51(71.47%)d0.00(0.04%) 1.199385181 - -0.122036809
66 BD(1)H15(C12) 15s(99.96%)p0.00(0.04%) 0.793303679 - 0.056745843
67 BD(1)C13(H14) 13s(28.89%)p2.46(71.06%)d0.00(0.05%) 1.219973741 - -0.118087207
68 BD(1)H14(C13) 14s(99.96%)p0.00(0.04%) 0.771438326 - 0.080646740
69 BD(1)O17(C18) 17s(29.15%)p2.43(70.77%)d0.00(0.08%) 1.376078777 - -0.486602671
70 BD(1)C18(O17) 18s(21.94%)p3.55(77.84%)d0.01(0.21%) 0.626567000 - -0.078951754
71 BD(1)C18(H19) 18s(25.57%)p2.91(74.37%)d0.00(0.06%) 1.190172422 - -0.167413661
72 BD(1)H19(C18) 19s(99.95%)p0.00(0.05%) 0.810030802 - 0.003766392
73 BD(1)C18(H20) 18s(26.34%)p2.79(73.60%)d0.00(0.06%) 1.187988462 - -0.175588427
74 BD(1)H20(C18) 20s(99.95%)p0.00(0.05%) 0.825262291 - -0.005260667
75 BD(1)C18(H21) 18s(26.32%)p2.80(73.62%)d0.00(0.06%) 1.186905457 - -0.175477826
76 BD(1)H21(C18) 21s(99.95%)p0.00(0.05%) 0.826546359 - -0.006139203
77 BD(1)O22(H23) 22s(21.70%)p3.59(77.94%)d0.02(0.36%) 1.495639691 - -0.451121147
78 BD(1)H23(O22) 23s(99.94%)p0.00(0.06%) 0.504827943 - 0.125433263
79 BD(1)C26(O27) 26s(32.52%)p2.07(67.38%)d0.00(0.10%) 0.709223171 - 0.030326277
80 BD(1)O27(C26) 27s(41.01%)p1.43(58.48%)d0.01(0.51%) 1.296525179 - -0.460522488
81 BD(2)C26(O27) 26s(0.03%)p99.99(99.80%)d6.96(0.18%) 0.778489262 - -0.102637026
82 BD(2)O27(C26) 27s(0.03%)p99.99(99.59%)d11.00(0.38%) 1.505771758 - -0.230498538
83 BD(1)C26(C28) 26s(36.25%)p1.76(63.71%)d0.00(0.03%) 1.005436173 - -0.124266673
84 BD(1)C28(C26) 28s(27.61%)p2.62(72.23%)d0.01(0.16%) 1.030089509 - -0.122208028
85 BD(1)C28(H29) 28s(24.38%)p3.10(75.52%)d0.00(0.10%) 1.204334439 - -0.141333789
86 BD(1)H29(C28) 29s(99.98%)p0.00(0.02%) 0.780541629 - 0.036559909
87 BD(1)C28(H30) 28s(23.60%)p3.23(76.30%)d0.00(0.10%) 1.201427684 - -0.142047772
88 BD(1)H30(C28) 30s(99.98%)p0.00(0.02%) 0.776838486 - 0.032667323
89 BD(1)C28(H31) 28s(24.37%)p3.10(75.55%)d0.00(0.08%) 1.218742870 - -0.136905436
90 BD(1)H31(C28) 31s(99.98%)p0.00(0.02%) 0.771430743 - 0.051589630
91 BD(1)C32(C33) 32s(35.94%)p1.78(63.96%)d0.00(0.10%) 0.998142694 - -0.065932367
92 BD(1)C33(C32) 33s(35.65%)p1.80(64.24%)d0.00(0.11%) 0.990915533 - -0.064886437
93 BD(1)C32(H35) 32s(28.11%)p2.56(71.85%)d0.00(0.05%) 1.204942733 - -0.136256080
94 BD(1)H35(C32) 35s(99.96%)p0.00(0.04%) 0.785501899 - 0.047079663
95 BD(1)C33(H34) 33s(28.05%)p2.56(71.91%)d0.00(0.04%) 1.199074280 - -0.134144003
96 BD(1)H34(C33) 34s(99.96%)p0.00(0.04%) 0.794488340 - 0.044733081
97 CR(1)C1 s(100.00%)p0.00(0.00%) 1.999296916 - -10.030194031
98 CR(1)C2 s(100.00%)p0.00(0.00%) 1.999036631 - -10.044239354
99 CR(1)C3 s(100.00%)p0.00(0.00%) 1.999036663 - -10.029504862
100 CR(1)C4 s(100.00%)p0.00(0.00%) 1.999013732 - -10.029935232
101 CR(1)C5 s(100.00%) 1.998909914 - -10.070831716
102 CR(1)N6 s(100.00%) 1.999201498 - -14.170060064
103 CR(1)C7 s(100.00%)p0.00(0.00%) 1.999134274 - -10.061958165
104 CR(1)C8 s(100.00%)p0.00(0.00%) 1.998924690 - -10.029636083
105 CR(1)C9 s(100.00%)p0.00(0.00%) 1.998594974 - -10.095986791
106 CR(1)C10 s(100.00%) 1.998692442 - -10.101022795
107 CR(1)C11 s(100.00%)p0.00(0.00%) 1.999057827 - -10.028813037
108 CR(1)C12 s(100.00%)p0.00(0.00%) 1.999173282 - -10.021469339
109 CR(1)C13 s(100.00%)p0.00(0.00%) 1.999065818 - -10.013279550
110 CR(1)O17 s(100.00%) 1.999707181 - -18.972619720
111 CR(1)C18 s(100.00%)p0.00(0.00%) 1.999254555 - -10.113205484
112 CR(1)O22 s(100.00%)p0.00(0.00%) 1.999750479 - -18.935762005
113 CR(1)C26 s(100.00%)p0.00(0.00%) 1.999320583 - -10.140679937
114 CR(1)O27 s(100.00%)p0.00(0.00%) 1.999748332 - -18.816369707
115 CR(1)C28 s(100.00%)p0.00(0.00%) 1.999265484 - -10.025414085
116 CR(1)C32 s(100.00%)p0.00(0.00%) 1.999007946 - -10.030772825
117 CR(1)C33 s(100.00%)p0.00(0.00%) 1.999040895 - -10.029852817
118 LP(1)N6 s(0.05%)p99.99(99.91%)d0.64(0.03%) 1.693787486 - -0.243094769
119 LP(1)O17 s(37.76%)p1.65(62.20%)d0.00(0.03%) 1.959799591 - -0.569946687
120 LP(2)O17 s(0.00%)p1.00(99.94%)d0.00(0.06%) 1.863761059 - -0.331634508
121 LP(1)O22 s(44.76%)p1.23(55.11%)d0.00(0.12%) 1.977953720 - -0.609980747
122 LP(2)O22 s(0.00%)p1.00(99.80%)d0.00(0.20%) 1.878788654 - -0.322116507
123 LP(1)O27 s(58.89%)p0.70(41.02%)d0.00(0.10%) 1.977448252 - -0.670140745
124 LP(2)O27 s(0.03%)p99.99(99.68%)d10.99(0.30%) 1.869989766 - -0.240557248
125 RY*(1)C1 s(0.00%)p1.00(97.30%)d0.03(2.69%) 0.003424487 - 0.697900184
126 RY*(2)C1 s(0.04%)p99.99(52.43%)d99.99(47.53%) 0.000954190 - 0.899090753
127 RY*(3)C1 s(5.39%)p10.64(57.33%)d6.92(37.28%) 0.000375604 - 0.950062015
128 RY*(4)C1 s(14.73%)p3.67(54.03%)d2.12(31.24%) 0.000253990 - 1.696634776
129 RY*(5)C1 s(7.61%)p6.61(50.32%)d5.53(42.07%) 0.000230083 - 2.077615425
130 RY*(6)C1 s(18.80%)p0.75(14.18%)d3.57(67.03%) 0.000065254 - 1.499100912
131 RY*(7)C1 s(8.90%)p1.43(12.72%)d8.81(78.39%) 0.000071672 - 1.377181998
132 RY*(8)C1 s(39.53%)p0.83(32.96%)d0.70(27.52%) 0.000020839 - 0.880092276
133 RY*(9)C1 s(1.39%)p62.70(87.14%)d8.25(11.47%) 0.000006981 - 0.563876654
134 RY*(10)C1 s(25.79%)p1.26(32.49%)d1.62(41.71%) 0.000015633 - 1.421998210
135 RY*(11)C1 s(0.13%)p99.99(20.23%)d99.99(79.64%) 0.000001678 - 2.855947828
136 RY*(12)C1 s(3.44%)p25.28(87.01%)d2.78(9.55%) 0.000001777 - 3.019745631
137 RY*(13)C1 s(3.10%)p29.18(90.40%)d2.10(6.50%) 0.000010858 - 0.754083454
138 RY*(14)C1 s(9.33%)p0.52(4.88%)d9.19(85.79%) 0.000005825 - 2.939878671
139 RY*(15)C1 s(14.28%)p1.49(21.28%)d4.51(64.43%) 0.000004289 - 1.478553894
140 RY*(16)C1 s(2.56%)p2.90(7.41%)d35.16(90.03%) 0.000003603 - 3.031905796
141 RY*(17)C1 s(98.20%)p0.01(1.23%)d0.01(0.57%) 0.000000713 - 22.668648624
142 RY*(18)C1 s(14.60%)p4.17(60.83%)d1.68(24.56%) 0.000002557 - 2.260550686
143 RY*(19)C1 s(1.66%)p28.19(46.84%)d31.00(51.50%) 0.000005750 - 1.692029107
144 RY*(20)C1 s(11.06%)p3.18(35.11%)d4.87(53.83%) 0.000004612 - 2.149127896
145 RY*(21)C1 s(11.96%)p2.45(29.33%)d4.91(58.71%) 0.000001718 - 2.625595156
146 RY*(22)C1 s(7.49%)p0.65(4.90%)d11.69(87.61%) 0.000003461 - 3.292377994
147 RY*(1)C2 s(2.25%)p39.24(88.35%)d4.18(9.40%) 0.006069566 - 1.369736692
148 RY*(2)C2 s(0.26%)p99.99(93.32%)d24.88(6.42%) 0.002951825 - 1.178446657
149 RY*(3)C2 s(0.46%)p99.99(86.86%)d27.49(12.68%) 0.001540483 - 0.856756674
150 RY*(4)C2 s(0.47%)p87.16(40.94%)d99.99(58.59%) 0.001238759 - 2.300246576
151 RY*(5)C2 s(20.60%)p0.95(19.52%)d2.91(59.87%) 0.000924205 - 2.237963412
152 RY*(6)C2 s(0.08%)p45.34(3.67%)d99.99(96.25%) 0.000445123 - 2.922348425
153 RY*(7)C2 s(45.51%)p0.79(36.02%)d0.41(18.48%) 0.000381142 - 1.270756042
154 RY*(8)C2 s(0.29%)p99.99(41.37%)d99.99(58.34%) 0.000248094 - 1.644896777
155 RY*(9)C2 s(25.57%)p1.29(32.87%)d1.63(41.56%) 0.000147215 - 1.690099032
156 RY*(10)C2 s(17.94%)p0.64(11.55%)d3.93(70.51%) 0.000121270 - 3.734273253
157 RY*(11)C2 s(5.82%)p6.50(37.86%)d9.67(56.31%) 0.000093184 - 2.619440507
158 RY*(12)C2 s(0.75%)p90.93(67.80%)d42.18(31.45%) 0.000049167 - 3.306888811
159 RY*(13)C2 s(4.10%)p2.12(8.71%)d21.27(87.20%) 0.000057213 - 2.900924690
160 RY*(14)C2 s(67.60%)p0.28(19.23%)d0.19(13.17%) 0.000020158 - 1.505302860
161 RY*(15)C2 s(3.12%)p17.65(55.14%)d13.36(41.74%) 0.000027632 - 1.384508425
162 RY*(16)C2 s(2.69%)p33.03(88.77%)d3.18(8.54%) 0.000002591 - 2.737157777
163 RY*(17)C2 s(0.18%)p99.99(55.13%)d99.99(44.69%) 0.000010347 - 1.757925138
164 RY*(18)C2 s(94.52%)p0.02(2.01%)d0.04(3.47%) 0.000002656 - 19.541395121
165 RY*(19)C2 s(0.47%)p30.57(14.43%)d99.99(85.10%) 0.000003190 - 1.524672555
166 RY*(20)C2 s(0.11%)p83.13(8.88%)d99.99(91.01%) 0.000002339 - 2.100329374
167 RY*(21)C2 s(1.15%)p26.09(29.96%)d60.00(68.89%) 0.000011476 - 3.566524473
168 RY*(22)C2 s(6.19%)p9.33(57.73%)d5.83(36.09%) 0.000004497 - 2.333015261
169 RY*(1)C3 s(0.68%)p99.99(89.68%)d14.21(9.64%) 0.006181417 - 1.292265088
170 RY*(2)C3 s(0.31%)p99.99(97.03%)d8.59(2.66%) 0.002185899 - 1.159172634
171 RY*(3)C3 s(0.19%)p99.99(80.64%)d99.99(19.17%) 0.001141233 - 0.463578642
172 RY*(4)C3 s(38.19%)p0.24(9.31%)d1.37(52.50%) 0.000748569 - 2.063350606
173 RY*(5)C3 s(1.16%)p0.79(0.92%)d84.40(97.92%) 0.000390060 - 2.669978412
174 RY*(6)C3 s(31.50%)p0.77(24.37%)d1.40(44.13%) 0.000376539 - 1.830828896
175 RY*(7)C3 s(9.52%)p3.94(37.56%)d5.56(52.91%) 0.000216325 - 2.672203061
176 RY*(8)C3 s(2.83%)p10.75(30.43%)d23.59(66.74%) 0.000130873 - 2.792584265
177 RY*(9)C3 s(3.40%)p19.06(64.87%)d9.32(31.73%) 0.000105402 - 1.071572289
178 RY*(10)C3 s(32.13%)p1.59(51.17%)d0.52(16.69%) 0.000086435 - 1.500025704
179 RY*(11)C3 s(14.90%)p0.74(10.98%)d4.97(74.12%) 0.000061943 - 1.764003087
180 RY*(12)C3 s(1.20%)p38.54(46.21%)d43.86(52.59%) 0.000040127 - 2.073271118
181 RY*(13)C3 s(9.40%)p6.04(56.74%)d3.60(33.86%) 0.000029552 - 3.366567841
182 RY*(14)C3 s(4.43%)p15.89(70.34%)d5.70(25.23%) 0.000026165 - 2.402611849
183 RY*(15)C3 s(1.89%)p13.34(25.16%)d38.68(72.95%) 0.000009733 - 2.086623996
184 RY*(16)C3 s(4.08%)p6.61(27.00%)d16.87(68.91%) 0.000003221 - 2.984177222
185 RY*(17)C3 s(1.99%)p38.61(77.00%)d10.54(21.01%) 0.000006973 - 2.490688576
186 RY*(18)C3 s(47.60%)p0.86(41.15%)d0.24(11.24%) 0.000013185 - 1.096506312
187 RY*(19)C3 s(88.03%)p0.13(11.14%)d0.01(0.84%) 0.000005408 - 18.520933443
188 RY*(20)C3 s(1.55%)p16.12(25.04%)d47.24(73.40%) 0.000008688 - 2.138110969
189 RY*(21)C3 s(2.84%)p6.32(17.93%)d27.91(79.23%) 0.000006250 - 3.520322097
190 RY*(22)C3 s(2.34%)p2.34(5.46%)d39.42(92.20%) 0.000005032 - 3.222736069
191 RY*(1)C4 s(0.07%)p99.99(88.02%)d99.99(11.91%) 0.005754110 - 1.345315146
192 RY*(2)C4 s(3.35%)p28.57(95.82%)d0.25(0.82%) 0.002147463 - 1.331696067
193 RY*(3)C4 s(0.64%)p99.99(81.63%)d27.63(17.73%) 0.001247381 - 0.698653287
194 RY*(4)C4 s(46.57%)p0.19(8.89%)d0.96(44.54%) 0.000673212 - 2.030099086
195 RY*(5)C4 s(0.16%)p99.99(29.98%)d99.99(69.86%) 0.000520902 - 1.937934484
196 RY*(6)C4 s(5.59%)p4.99(27.89%)d11.91(66.53%) 0.000365463 - 2.013117076
197 RY*(7)C4 s(35.19%)p0.55(19.40%)d1.29(45.41%) 0.000297529 - 1.638343602
198 RY*(8)C4 s(6.40%)p3.39(21.73%)d11.22(71.87%) 0.000162044 - 2.037127879
199 RY*(9)C4 s(10.99%)p5.59(61.43%)d2.51(27.58%) 0.000126900 - 2.169311806
200 RY*(10)C4 s(5.47%)p12.17(66.56%)d5.11(27.97%) 0.000089903 - 1.258257760
201 RY*(11)C4 s(7.28%)p9.76(71.04%)d2.98(21.68%) 0.000063232 - 4.292002747
202 RY*(12)C4 s(4.78%)p4.05(19.38%)d15.85(75.84%) 0.000044961 - 1.642213160
203 RY*(13)C4 s(0.28%)p99.99(30.50%)d99.99(69.22%) 0.000053205 - 3.274779081
204 RY*(14)C4 s(1.21%)p70.31(85.02%)d11.39(13.77%) 0.000017071 - 2.637660222
205 RY*(15)C4 s(1.13%)p40.42(45.66%)d47.11(53.21%) 0.000026238 - 1.591385806
206 RY*(16)C4 s(4.23%)p3.80(16.09%)d18.84(79.68%) 0.000018293 - 3.442741950
207 RY*(17)C4 s(71.38%)p0.31(22.41%)d0.09(6.21%) 0.000015007 - 0.864091792
208 RY*(18)C4 s(4.11%)p21.48(88.27%)d1.86(7.63%) 0.000017518 - 1.169344966
209 RY*(19)C4 s(90.08%)p0.08(7.51%)d0.03(2.41%) 0.000001952 - 19.395213721
210 RY*(20)C4 s(0.07%)p56.23(4.07%)d99.99(95.86%) 0.000005459 - 2.984553254
211 RY*(21)C4 s(0.85%)p3.45(2.94%)d99.99(96.21%) 0.000002262 - 3.478909281
212 RY*(22)C4 s(0.31%)p19.01(5.92%)d99.99(93.76%) 0.000007540 - 2.720688223
213 RY*(1)C5 s(1.07%)p85.43(91.50%)d6.93(7.43%) 0.006814372 - 1.312761809
214 RY*(2)C5 s(0.09%)p99.99(92.83%)d79.68(7.08%) 0.003726415 - 0.911190749
215 RY*(3)C5 s(1.40%)p69.77(97.97%)d0.44(0.62%) 0.002938754 - 1.303503585
216 RY*(4)C5 s(10.36%)p7.66(79.36%)d0.99(10.28%) 0.001627872 - 0.806552464
217 RY*(5)C5 s(0.23%)p99.99(79.09%)d89.41(20.67%) 0.001395433 - 1.097732605
218 RY*(6)C5 s(40.77%)p1.18(47.94%)d0.28(11.29%) 0.001150888 - 1.018757768
219 RY*(7)C5 s(25.50%)p0.73(18.65%)d2.19(55.85%) 0.000894993 - 2.204557908
220 RY*(8)C5 s(17.19%)p2.65(45.55%)d2.17(37.26%) 0.000773791 - 1.505270938
221 RY*(9)C5 s(0.71%)p19.83(14.04%)d99.99(85.25%) 0.000517563 - 2.887522782
222 RY*(10)C5 s(0.09%)p99.99(8.80%)d99.99(91.12%) 0.000477264 - 2.901902497
223 RY*(11)C5 s(0.41%)p44.89(18.47%)d99.99(81.12%) 0.000331010 - 2.453349706
224 RY*(12)C5 s(0.71%)p29.45(20.87%)d99.99(78.42%) 0.000253060 - 2.233161501
225 RY*(13)C5 s(0.45%)p14.57(6.60%)d99.99(92.95%) 0.000206150 - 2.488251565
226 RY*(14)C5 s(1.54%)p7.48(11.50%)d56.56(86.96%) 0.000138729 - 3.062384243
227 RY*(15)C5 s(4.08%)p3.91(15.95%)d19.61(79.97%) 0.000079313 - 2.436055459
228 RY*(16)C5 s(3.28%)p17.84(58.44%)d11.69(38.28%) 0.000037320 - 3.671696542
229 RY*(17)C5 s(4.63%)p16.71(77.31%)d3.90(18.06%) 0.000044944 - 3.367485267
230 RY*(18)C5 s(8.92%)p1.75(15.66%)d8.45(75.42%) 0.000023916 - 2.136235016
231 RY*(19)C5 s(8.27%)p1.43(11.79%)d9.67(79.94%) 0.000020707 - 4.583721781
232 RY*(20)C5 s(83.17%)p0.08(6.34%)d0.13(10.49%) 0.000018594 - 5.645383781
233 RY*(21)C5 s(87.01%)p0.01(0.82%)d0.14(12.17%) 0.000005164 - 15.095328463
234 RY*(22)C5 s(0.26%)p99.99(80.60%)d73.82(19.14%) 0.000007139 - 2.814248828
235 RY*(1)N6 s(0.93%)p99.99(98.30%)d0.82(0.77%) 0.011147914 - 0.831468749
236 RY*(2)N6 s(3.05%)p30.15(91.97%)d1.63(4.98%) 0.004311947 - 1.124977025
237 RY*(3)N6 s(48.33%)p0.88(42.37%)d0.19(9.30%) 0.002507984 - 0.859565607
238 RY*(4)N6 s(44.94%)p1.15(51.83%)d0.07(3.24%) 0.001861328 - 0.947845152
239 RY*(5)N6 s(27.17%)p2.31(62.71%)d0.37(10.13%) 0.001123016 - 1.801161645
240 RY*(6)N6 s(23.80%)p1.26(30.06%)d1.94(46.14%) 0.000867591 - 1.831393805
241 RY*(7)N6 s(0.30%)p99.99(79.49%)d67.77(20.21%) 0.000531501 - 1.103029110
242 RY*(8)N6 s(13.02%)p1.74(22.65%)d4.94(64.33%) 0.000467599 - 2.129927325
243 RY*(9)N6 s(1.78%)p41.38(73.61%)d13.84(24.61%) 0.000361898 - 1.852986280
244 RY*(10)N6 s(0.27%)p8.93(2.46%)d99.99(97.27%) 0.000330984 - 2.067567055
245 RY*(11)N6 s(3.65%)p1.04(3.80%)d25.36(92.55%) 0.000261070 - 1.718953502
246 RY*(12)N6 s(8.06%)p3.08(24.87%)d8.32(67.07%) 0.000206320 - 1.866943230
247 RY*(13)N6 s(18.85%)p0.79(14.94%)d3.51(66.21%) 0.000105990 - 2.137605621
248 RY*(14)N6 s(0.93%)p31.82(29.74%)d74.16(69.33%) 0.000061715 - 4.231647240
249 RY*(15)N6 s(1.27%)p12.54(15.97%)d64.99(82.76%) 0.000070278 - 3.918166459
250 RY*(16)N6 s(1.14%)p16.95(19.38%)d69.49(79.48%) 0.000056757 - 4.686872066
251 RY*(17)N6 s(0.86%)p14.65(12.56%)d99.99(86.59%) 0.000048262 - 4.379874427
252 RY*(18)N6 s(0.58%)p99.99(66.73%)d56.30(32.69%) 0.000016213 - 4.175866189
253 RY*(19)N6 s(2.73%)p23.06(63.04%)d12.52(34.22%) 0.000023836 - 4.283945041
254 RY*(20)N6 s(0.03%)p99.99(89.77%)d99.99(10.20%) 0.000004482 - 4.109328009
255 RY*(21)N6 s(98.42%)p0.01(0.55%)d0.01(1.03%) 0.000000488 - 34.809843921
256 RY*(22)N6 s(0.00%)p1.00(3.40%)d28.40(96.60%) 0.000002459 - 4.954585967
257 RY*(1)C7 s(0.11%)p99.99(97.70%)d19.80(2.19%) 0.008298831 - 1.101000758
258 RY*(2)C7 s(5.01%)p12.65(63.41%)d6.30(31.58%) 0.002052343 - 1.194042900
259 RY*(3)C7 s(9.42%)p9.17(86.39%)d0.44(4.19%) 0.001471868 - 0.981479146
260 RY*(4)C7 s(54.32%)p0.57(30.72%)d0.28(14.96%) 0.001059804 - 1.645503137
261 RY*(5)C7 s(7.05%)p1.48(10.47%)d11.70(82.48%) 0.000611844 - 2.101966616
262 RY*(6)C7 s(0.69%)p32.84(22.77%)d99.99(76.54%) 0.000398436 - 1.885479101
263 RY*(7)C7 s(3.11%)p9.08(28.20%)d22.11(68.69%) 0.000343692 - 1.669524259
264 RY*(8)C7 s(1.22%)p13.24(16.11%)d67.95(82.67%) 0.000291254 - 1.755543062
265 RY*(9)C7 s(6.21%)p3.89(24.16%)d11.21(69.63%) 0.000186841 - 1.485046034
266 RY*(10)C7 s(4.94%)p10.44(51.55%)d8.81(43.51%) 0.000108850 - 2.403159793
267 RY*(11)C7 s(2.62%)p20.30(53.27%)d16.81(44.11%) 0.000066235 - 1.654787925
268 RY*(12)C7 s(0.60%)p99.99(65.77%)d55.97(33.63%) 0.000048923 - 1.255383491
269 RY*(13)C7 s(6.23%)p10.63(66.23%)d4.42(27.54%) 0.000037893 - 3.511169446
270 RY*(14)C7 s(10.26%)p7.35(75.47%)d1.39(14.27%) 0.000039006 - 2.439453772
271 RY*(15)C7 s(8.81%)p2.20(19.34%)d8.16(71.85%) 0.000044228 - 1.942139988
272 RY*(16)C7 s(5.20%)p10.85(56.41%)d7.38(38.39%) 0.000014595 - 2.638050855
273 RY*(17)C7 s(0.18%)p45.02(8.17%)d99.99(91.65%) 0.000013825 - 3.400759796
274 RY*(18)C7 s(6.75%)p0.65(4.39%)d13.17(88.86%) 0.000014527 - 3.975386292
275 RY*(19)C7 s(73.61%)p0.15(11.27%)d0.21(15.12%) 0.000009754 - 1.816525904
276 RY*(20)C7 s(0.81%)p99.99(94.01%)d6.41(5.18%) 0.000013712 - 3.177436427
277 RY*(21)C7 s(86.20%)p0.10(9.03%)d0.06(4.78%) 0.000001054 - 19.833328439
278 RY*(22)C7 s(6.63%)p0.85(5.62%)d13.25(87.76%) 0.000005662 - 2.994375878
279 RY*(1)C8 s(0.92%)p99.66(91.69%)d8.03(7.39%) 0.005905471 - 1.452038457
280 RY*(2)C8 s(1.00%)p92.26(91.88%)d7.16(7.13%) 0.003954321 - 1.294897236
281 RY*(3)C8 s(2.06%)p44.97(92.82%)d2.48(5.11%) 0.002430366 - 0.742755297
282 RY*(4)C8 s(26.62%)p0.33(8.73%)d2.43(64.66%) 0.001007236 - 2.125995786
283 RY*(5)C8 s(35.45%)p0.60(21.17%)d1.22(43.38%) 0.000735661 - 1.897092226
284 RY*(6)C8 s(14.69%)p0.75(11.06%)d5.06(74.25%) 0.000553128 - 2.288254289
285 RY*(7)C8 s(7.83%)p4.17(32.63%)d7.60(59.53%) 0.000390896 - 2.983663059
286 RY*(8)C8 s(0.71%)p8.23(5.81%)d99.99(93.48%) 0.000288584 - 1.677088389
287 RY*(9)C8 s(1.26%)p3.14(3.96%)d75.14(94.78%) 0.000205437 - 2.304000023
288 RY*(10)C8 s(7.37%)p5.11(37.65%)d7.46(54.98%) 0.000152828 - 2.573960737
289 RY*(11)C8 s(12.78%)p3.96(50.60%)d2.87(36.62%) 0.000117218 - 1.974571545
290 RY*(12)C8 s(6.21%)p8.61(53.52%)d6.48(40.27%) 0.000076162 - 2.109651875
291 RY*(13)C8 s(3.07%)p3.62(11.12%)d27.91(85.80%) 0.000084013 - 3.236919254
292 RY*(14)C8 s(5.34%)p17.04(91.04%)d0.68(3.62%) 0.000082064 - 2.615453586
293 RY*(15)C8 s(0.75%)p37.66(28.37%)d94.07(70.87%) 0.000045826 - 3.152784141
294 RY*(16)C8 s(12.07%)p5.49(66.22%)d1.80(21.71%) 0.000031229 - 2.382903638
295 RY*(17)C8 s(2.81%)p23.79(66.94%)d10.75(30.25%) 0.000038344 - 3.519469118
296 RY*(18)C8 s(0.88%)p3.51(3.08%)d99.99(96.05%) 0.000009683 - 3.259432396
297 RY*(19)C8 s(68.18%)p0.18(12.54%)d0.28(19.28%) 0.000018633 - 6.415962595
298 RY*(20)C8 s(9.33%)p1.29(12.07%)d8.42(78.59%) 0.000018475 - 3.010652216
299 RY*(21)C8 s(1.49%)p60.86(90.58%)d5.33(7.93%) 0.000003599 - 2.964813702
300 RY*(22)C8 s(79.27%)p0.21(16.67%)d0.05(4.06%) 0.000004948 - 12.898329805
301 RY*(1)C9 s(3.41%)p27.58(93.95%)d0.78(2.64%) 0.006770297 - 1.274406840
302 RY*(2)C9 s(2.32%)p39.70(92.08%)d2.41(5.60%) 0.003726150 - 1.525675535
303 RY*(3)C9 s(0.13%)p66.51(8.57%)d99.99(91.30%) 0.001495437 - 1.933031305
304 RY*(4)C9 s(19.94%)p0.55(11.01%)d3.46(69.04%) 0.001254164 - 2.102028596
305 RY*(5)C9 s(55.39%)p0.10(5.49%)d0.71(39.13%) 0.000776611 - 2.539272847
306 RY*(6)C9 s(3.63%)p8.85(32.11%)d17.70(64.26%) 0.000613616 - 2.526150385
307 RY*(7)C9 s(3.03%)p5.28(16.03%)d26.69(80.94%) 0.000565745 - 1.891438253
308 RY*(8)C9 s(9.45%)p1.14(10.81%)d8.44(79.74%) 0.000436054 - 2.287699908
309 RY*(9)C9 s(1.53%)p44.55(68.00%)d19.96(30.47%) 0.000347188 - 1.639578133
310 RY*(10)C9 s(7.08%)p4.96(35.09%)d8.17(57.84%) 0.000250485 - 2.735359511
311 RY*(11)C9 s(4.14%)p9.19(38.06%)d13.96(57.80%) 0.000190906 - 2.490540585
312 RY*(12)C9 s(34.94%)p1.28(44.74%)d0.58(20.32%) 0.000067525 - 4.705576899
313 RY*(13)C9 s(0.19%)p99.99(70.06%)d99.99(29.75%) 0.000075206 - 2.549833166
314 RY*(14)C9 s(0.45%)p93.27(42.34%)d99.99(57.20%) 0.000060883 - 2.144208156
315 RY*(15)C9 s(4.04%)p9.94(40.11%)d13.84(55.85%) 0.000047145 - 2.206284118
316 RY*(16)C9 s(5.46%)p8.24(45.01%)d9.07(49.53%) 0.000039298 - 2.796067686
317 RY*(17)C9 s(32.99%)p1.20(39.61%)d0.83(27.40%) 0.000023010 - 1.907478180
318 RY*(18)C9 s(8.11%)p2.70(21.87%)d8.63(70.01%) 0.000017918 - 3.121449687
319 RY*(19)C9 s(90.36%)p0.08(7.01%)d0.03(2.62%) 0.000006286 - 13.841987459
320 RY*(20)C9 s(1.05%)p79.49(83.80%)d14.37(15.15%) 0.000006780 - 2.340525784
321 RY*(21)C9 s(1.91%)p46.99(89.85%)d4.31(8.24%) 0.000008674 - 2.783230761
322 RY*(22)C9 s(10.69%)p0.42(4.45%)d7.94(84.86%) 0.000003199 - 3.336051411
323 RY*(1)C10 s(0.71%)p99.99(92.95%)d8.90(6.33%) 0.006219977 - 1.387397321
324 RY*(2)C10 s(0.32%)p99.99(89.94%)d29.98(9.74%) 0.003815835 - 1.534809899
325 RY*(3)C10 s(0.12%)p97.28(11.46%)d99.99(88.42%) 0.001707988 - 1.561096407
326 RY*(4)C10 s(46.64%)p0.09(4.25%)d1.05(49.11%) 0.001391943 - 1.475403585
327 RY*(5)C10 s(0.30%)p99.99(44.04%)d99.99(55.66%) 0.000815100 - 1.610103314
328 RY*(6)C10 s(5.58%)p0.81(4.50%)d16.12(89.92%) 0.000792436 - 2.666059473
329 RY*(7)C10 s(5.07%)p5.43(27.49%)d13.31(67.44%) 0.000452473 - 2.446733111
330 RY*(8)C10 s(9.28%)p4.84(44.96%)d4.93(45.76%) 0.000387305 - 1.489304314
331 RY*(9)C10 s(16.95%)p2.88(48.79%)d2.02(34.27%) 0.000318879 - 2.177981063
332 RY*(10)C10 s(0.53%)p99.99(57.25%)d80.42(42.23%) 0.000232919 - 1.353706558
333 RY*(11)C10 s(8.66%)p3.15(27.28%)d7.40(64.06%) 0.000148114 - 2.477678707
334 RY*(12)C10 s(1.31%)p13.71(17.97%)d61.56(80.72%) 0.000111280 - 2.933244531
335 RY*(13)C10 s(1.59%)p20.20(32.15%)d41.62(66.26%) 0.000119726 - 2.582423966
336 RY*(14)C10 s(15.20%)p3.43(52.17%)d2.15(32.63%) 0.000071825 - 3.326669648
337 RY*(15)C10 s(63.50%)p0.27(17.25%)d0.30(19.24%) 0.000050028 - 3.970353798
338 RY*(16)C10 s(0.89%)p85.45(76.14%)d25.78(22.97%) 0.000029972 - 2.322511665
339 RY*(17)C10 s(17.30%)p3.51(60.65%)d1.27(22.05%) 0.000033808 - 4.068181882
340 RY*(18)C10 s(24.81%)p1.64(40.74%)d1.39(34.45%) 0.000021023 - 2.467034018
341 RY*(19)C10 s(69.74%)p0.41(28.58%)d0.02(1.68%) 0.000007524 - 12.972571920
342 RY*(20)C10 s(2.81%)p34.03(95.60%)d0.57(1.59%) 0.000003933 - 3.310103893
343 RY*(21)C10 s(0.34%)p62.72(21.55%)d99.99(78.10%) 0.000004213 - 2.399468558
344 RY*(22)C10 s(8.61%)p0.51(4.36%)d10.10(87.03%) 0.000004717 - 3.140959314
345 RY*(1)C11 s(0.09%)p99.99(85.53%)d99.99(14.38%) 0.004778595 - 1.385260923
346 RY*(2)C11 s(3.93%)p24.09(94.64%)d0.37(1.44%) 0.001945129 - 1.451093177
347 RY*(3)C11 s(0.21%)p99.99(90.97%)d41.60(8.82%) 0.001460374 - 0.430248444
348 RY*(4)C11 s(44.81%)p0.28(12.64%)d0.95(42.54%) 0.001001739 - 2.187076028
349 RY*(5)C11 s(0.14%)p22.46(3.04%)d99.99(96.82%) 0.000567955 - 2.057779718
350 RY*(6)C11 s(19.93%)p2.81(56.04%)d1.21(24.04%) 0.000481868 - 1.286693064
351 RY*(7)C11 s(23.83%)p0.70(16.76%)d2.49(59.41%) 0.000252808 - 1.870229712
352 RY*(8)C11 s(0.91%)p45.56(41.57%)d63.04(57.52%) 0.000224253 - 1.107404930
353 RY*(9)C11 s(19.60%)p2.65(51.86%)d1.46(28.53%) 0.000186584 - 1.055348165
354 RY*(10)C11 s(8.83%)p1.77(15.60%)d8.56(75.57%) 0.000095802 - 2.278292664
355 RY*(11)C11 s(5.58%)p6.80(37.92%)d10.12(56.49%) 0.000067211 - 2.663589009
356 RY*(12)C11 s(7.65%)p10.72(82.01%)d1.35(10.34%) 0.000053810 - 3.707235456
357 RY*(13)C11 s(17.73%)p2.52(44.72%)d2.12(37.55%) 0.000022124 - 2.036200121
358 RY*(14)C11 s(15.85%)p0.98(15.59%)d4.33(68.57%) 0.000024263 - 2.808690435
359 RY*(15)C11 s(26.47%)p1.52(40.37%)d1.25(33.16%) 0.000002908 - 2.278919663
360 RY*(16)C11 s(3.60%)p7.42(26.70%)d19.38(69.70%) 0.000007788 - 2.683396131
361 RY*(17)C11 s(0.32%)p99.99(96.93%)d8.68(2.76%) 0.000001888 - 2.861697140
362 RY*(18)C11 s(7.86%)p2.93(23.01%)d8.80(69.14%) 0.000009210 - 3.248845925
363 RY*(19)C11 s(85.61%)p0.14(12.36%)d0.02(2.04%) 0.000002867 - 18.709241542
364 RY*(20)C11 s(0.17%)p99.99(22.65%)d99.99(77.19%) 0.000003905 - 1.753104226
365 RY*(21)C11 s(6.67%)p2.69(17.94%)d11.30(75.39%) 0.000005950 - 2.743824840
366 RY*(22)C11 s(0.37%)p30.39(11.36%)d99.99(88.26%) 0.000002935 - 2.735620972
367 RY*(1)C12 s(0.23%)p99.99(89.09%)d47.24(10.69%) 0.006212710 - 1.259553386
368 RY*(2)C12 s(0.02%)p99.99(99.72%)d13.00(0.26%) 0.002303697 - 1.268387776
369 RY*(3)C12 s(0.35%)p99.99(74.42%)d73.08(25.24%) 0.001117150 - 0.527002413
370 RY*(4)C12 s(41.61%)p0.47(19.69%)d0.93(38.70%) 0.000536340 - 2.043143122
371 RY*(5)C12 s(17.18%)p1.17(20.06%)d3.65(62.75%) 0.000509607 - 2.142499733
372 RY*(6)C12 s(5.02%)p1.27(6.35%)d17.65(88.63%) 0.000429892 - 2.598377313
373 RY*(7)C12 s(35.13%)p0.34(11.97%)d1.51(52.90%) 0.000230029 - 2.350631367
374 RY*(8)C12 s(17.95%)p0.76(13.64%)d3.81(68.42%) 0.000119533 - 2.181378119
375 RY*(9)C12 s(28.34%)p1.04(29.47%)d1.49(42.19%) 0.000068546 - 1.764958964
376 RY*(10)C12 s(12.69%)p5.34(67.79%)d1.54(19.52%) 0.000056378 - 2.288350993
377 RY*(11)C12 s(7.20%)p11.06(79.56%)d1.84(13.25%) 0.000040819 - 2.938891243
378 RY*(12)C12 s(1.69%)p7.23(12.21%)d51.00(86.10%) 0.000038258 - 2.866036657
379 RY*(13)C12 s(0.27%)p96.71(26.20%)d99.99(73.53%) 0.000040049 - 1.177830614
380 RY*(14)C12 s(3.44%)p19.53(67.17%)d8.55(29.39%) 0.000017967 - 1.446729771
381 RY*(15)C12 s(88.59%)p0.08(6.90%)d0.05(4.51%) 0.000003144 - 18.108441681
382 RY*(16)C12 s(0.98%)p47.51(46.80%)d53.01(52.22%) 0.000009245 - 1.989389791
383 RY*(17)C12 s(26.50%)p0.31(8.29%)d2.46(65.21%) 0.000004862 - 2.719906368
384 RY*(18)C12 s(2.92%)p29.35(85.66%)d3.91(11.42%) 0.000007904 - 2.771133524
385 RY*(19)C12 s(4.19%)p2.27(9.52%)d20.61(86.29%) 0.000004811 - 3.500636529
386 RY*(20)C12 s(2.10%)p36.12(75.73%)d10.57(22.17%) 0.000007239 - 2.494698475
387 RY*(21)C12 s(0.35%)p99.99(47.01%)d99.99(52.63%) 0.000005306 - 1.091441082
388 RY*(22)C12 s(3.38%)p0.87(2.94%)d27.73(93.68%) 0.000001907 - 3.149633688
389 RY*(1)C13 s(0.41%)p99.99(91.64%)d19.40(7.95%) 0.005893070 - 1.401222964
390 RY*(2)C13 s(1.48%)p64.00(94.79%)d2.52(3.73%) 0.002389350 - 1.139694934
391 RY*(3)C13 s(11.65%)p5.68(66.12%)d1.91(22.23%) 0.001052961 - 0.694087751
392 RY*(4)C13 s(51.33%)p0.59(30.13%)d0.36(18.54%) 0.000774915 - 1.649195435
393 RY*(5)C13 s(5.56%)p4.59(25.53%)d12.38(68.91%) 0.000592979 - 2.175953747
394 RY*(6)C13 s(5.52%)p2.58(14.24%)d14.53(80.24%) 0.000475264 - 2.483935036
395 RY*(7)C13 s(15.16%)p0.58(8.79%)d5.01(76.04%) 0.000306670 - 1.838390566
396 RY*(8)C13 s(9.50%)p2.08(19.77%)d7.44(70.72%) 0.000192556 - 1.905824412
397 RY*(9)C13 s(6.75%)p6.45(43.58%)d7.35(49.66%) 0.000125579 - 1.529660328
398 RY*(10)C13 s(12.24%)p5.43(66.40%)d1.75(21.36%) 0.000078634 - 2.034978188
399 RY*(11)C13 s(20.63%)p1.01(20.93%)d2.83(58.44%) 0.000058702 - 1.363138336
400 RY*(12)C13 s(24.64%)p1.24(30.56%)d1.82(44.80%) 0.000047120 - 3.032961311
401 RY*(13)C13 s(2.11%)p38.20(80.59%)d8.20(17.30%) 0.000029167 - 2.806818435
402 RY*(14)C13 s(23.51%)p2.57(60.31%)d0.69(16.19%) 0.000022935 - 1.074799866
403 RY*(15)C13 s(0.86%)p30.50(26.30%)d84.45(72.84%) 0.000024858 - 2.880751705
404 RY*(16)C13 s(8.96%)p1.79(16.01%)d8.37(75.04%) 0.000026700 - 2.074343351
405 RY*(17)C13 s(5.85%)p12.27(71.74%)d3.83(22.41%) 0.000025141 - 2.667824515
406 RY*(18)C13 s(0.85%)p14.63(12.39%)d99.99(86.76%) 0.000004305 - 3.156086819
407 RY*(19)C13 s(0.78%)p24.86(19.30%)d99.99(79.93%) 0.000008273 - 3.343792977
408 RY*(20)C13 s(2.21%)p41.99(92.65%)d2.33(5.15%) 0.000004322 - 2.941045979
409 RY*(21)C13 s(1.03%)p3.33(3.44%)d92.46(95.52%) 0.000001676 - 3.458562626
410 RY*(22)C13 s(89.08%)p0.06(4.96%)d0.07(5.96%) 0.000002757 - 18.413300205
411 RY*(1)H14 s(99.58%)p0.00(0.42%) 0.000856922 - 1.609816071
412 RY*(2)H14 s(47.33%)p1.11(52.67%) 0.000251324 - 1.893973574
413 RY*(3)H14 s(40.51%)p1.47(59.49%) 0.000142719 - 2.085370509
414 RY*(4)H14 s(12.17%)p7.22(87.83%) 0.000043556 - 2.622134175
415 RY*(5)H14 s(0.45%)p99.99(99.55%) 0.000052149 - 2.628775819
416 RY*(1)H15 s(98.86%)p0.01(1.14%) 0.000641695 - 1.195072899
417 RY*(2)H15 s(0.41%)p99.99(99.59%) 0.000226977 - 1.932475842
418 RY*(3)H15 s(93.79%)p0.07(6.21%) 0.000165025 - 2.140283960
419 RY*(4)H15 s(0.50%)p99.99(99.50%) 0.000046941 - 2.602405664
420 RY*(5)H15 s(6.48%)p14.43(93.52%) 0.000039602 - 2.697415115
421 RY*(1)H16 s(99.73%)p0.00(0.27%) 0.000834073 - 1.189293150
422 RY*(2)H16 s(0.05%)p99.99(99.95%) 0.000258241 - 1.938823458
423 RY*(3)H16 s(93.08%)p0.07(6.92%) 0.000154829 - 1.960372230
424 RY*(4)H16 s(0.73%)p99.99(99.27%) 0.000042958 - 2.704244760
425 RY*(5)H16 s(6.45%)p14.50(93.55%) 0.000049052 - 2.685102181
426 RY*(1)O17 s(0.02%)p99.99(97.55%)d99.99(2.44%) 0.004518821 - 0.690501483
427 RY*(2)O17 s(13.25%)p6.28(83.19%)d0.27(3.56%) 0.003915340 - 0.766023733
428 RY*(3)O17 s(12.00%)p6.37(76.48%)d0.96(11.52%) 0.001190776 - 1.230110895
429 RY*(4)O17 s(23.38%)p3.13(73.09%)d0.15(3.53%) 0.000772004 - 1.183974725
430 RY*(5)O17 s(0.06%)p99.99(95.05%)d82.89(4.89%) 0.000482175 - 0.686253010
431 RY*(6)O17 s(0.12%)p41.33(4.87%)d99.99(95.01%) 0.000265333 - 2.690979018
432 RY*(7)O17 s(0.59%)p99.99(91.23%)d13.92(8.18%) 0.000209064 - 1.558221725
433 RY*(8)O17 s(24.82%)p0.88(21.79%)d2.15(53.39%) 0.000193452 - 2.111197124
434 RY*(9)O17 s(44.80%)p0.52(23.19%)d0.71(32.01%) 0.000091250 - 1.550757420
435 RY*(10)O17 s(1.98%)p35.35(69.82%)d14.28(28.21%) 0.000037959 - 4.544465467
436 RY*(11)O17 s(3.75%)p7.06(26.48%)d18.61(69.77%) 0.000040542 - 2.540651792
437 RY*(12)O17 s(65.33%)p0.05(3.43%)d0.48(31.24%) 0.000018994 - 2.321416042
438 RY*(13)O17 s(1.09%)p80.61(87.93%)d10.06(10.98%) 0.000002505 - 4.672687889
439 RY*(14)O17 s(2.94%)p1.03(3.02%)d32.00(94.04%) 0.000001627 - 6.581775568
440 RY*(15)O17 s(0.34%)p90.32(31.11%)d99.99(68.55%) 0.000010241 - 3.205120497
441 RY*(16)O17 s(1.30%)p3.59(4.66%)d72.44(94.04%) 0.000001241 - 6.667246751
442 RY*(17)O17 s(2.68%)p1.18(3.16%)d35.07(94.15%) 0.000010275 - 2.137832468
443 RY*(18)O17 s(0.61%)p6.58(3.99%)d99.99(95.41%) 0.000001183 - 6.688882000
444 RY*(19)O17 s(0.24%)p99.99(97.81%)d7.99(1.95%) 0.000001977 - 4.929460667
445 RY*(20)O17 s(0.60%)p1.66(1.00%)d99.99(98.40%) 0.000001118 - 6.721785197
446 RY*(21)O17 s(99.72%)p0.00(0.20%)d0.00(0.09%) 0.000000028 - 49.276420494
447 RY*(22)O17 s(0.33%)p3.72(1.24%)d99.99(98.43%) 0.000001145 - 6.717927123
448 RY*(1)C18 s(21.40%)p2.27(48.54%)d1.40(30.06%) 0.003040988 - 1.148435370
449 RY*(2)C18 s(0.01%)p1.00(28.17%)d2.55(71.82%) 0.002543425 - 1.309924937
450 RY*(3)C18 s(3.64%)p25.06(91.26%)d1.40(5.10%) 0.001560814 - 0.813017411
451 RY*(4)C18 s(6.26%)p9.32(58.27%)d5.67(35.47%) 0.000354528 - 1.769165160
452 RY*(5)C18 s(0.16%)p99.99(83.26%)d99.99(16.58%) 0.000317940 - 0.756952013
453 RY*(6)C18 s(8.04%)p4.69(37.72%)d6.75(54.24%) 0.000157829 - 1.484098214
454 RY*(7)C18 s(0.04%)p99.99(59.26%)d99.99(40.70%) 0.000097569 - 1.031553634
455 RY*(8)C18 s(8.49%)p4.97(42.17%)d5.81(49.34%) 0.000035695 - 1.837931507
456 RY*(9)C18 s(0.07%)p99.99(96.59%)d49.29(3.34%) 0.000007852 - 2.244243665
457 RY*(10)C18 s(46.77%)p0.50(23.17%)d0.64(30.06%) 0.000004594 - 1.072959408
458 RY*(11)C18 s(7.72%)p10.06(77.62%)d1.90(14.66%) 0.000010062 - 1.232921358
459 RY*(12)C18 s(0.78%)p99.99(94.39%)d6.15(4.82%) 0.000003963 - 1.966561275
460 RY*(13)C18 s(6.33%)p0.66(4.15%)d14.15(89.53%) 0.000004181 - 2.323245608
461 RY*(14)C18 s(0.85%)p9.48(8.03%)d99.99(91.13%) 0.000003956 - 2.737232365
462 RY*(15)C18 s(0.83%)p99.99(97.60%)d1.88(1.57%) 0.000002522 - 2.006714177
463 RY*(16)C18 s(86.22%)p0.13(11.61%)d0.03(2.17%) 0.000011196 - 0.934468960
464 RY*(17)C18 s(98.50%)p0.01(1.09%)d0.00(0.41%) 0.000000689 - 23.077028212
465 RY*(18)C18 s(0.20%)p23.43(4.73%)d99.99(95.07%) 0.000001344 - 3.171474317
466 RY*(19)C18 s(1.87%)p3.16(5.92%)d49.27(92.21%) 0.000000625 - 2.808371395
467 RY*(20)C18 s(0.58%)p12.43(7.17%)d99.99(92.26%) 0.000002032 - 2.942485390
468 RY*(21)C18 s(0.87%)p20.36(17.79%)d93.05(81.33%) 0.000001282 - 2.285268312
469 RY*(22)C18 s(0.21%)p9.85(2.06%)d99.99(97.73%) 0.000001847 - 2.515829647
470 RY*(1)H19 s(95.54%)p0.05(4.46%) 0.000363110 - 0.528154393
471 RY*(2)H19 s(63.99%)p0.56(36.01%) 0.000153837 - 2.155397112
472 RY*(3)H19 s(0.01%)p99.99(99.99%) 0.000132537 - 1.792000469
473 RY*(4)H19 s(35.15%)p1.84(64.85%) 0.000059182 - 2.166946911
474 RY*(5)H19 s(5.36%)p17.66(94.64%) 0.000017284 - 2.524013768
475 RY*(1)H20 s(97.72%)p0.02(2.28%) 0.001675972 - 0.555230274
476 RY*(2)H20 s(49.65%)p1.01(50.35%) 0.000216354 - 2.074987954
477 RY*(3)H20 s(13.53%)p6.39(86.47%) 0.000106399 - 1.943405031
478 RY*(4)H20 s(39.00%)p1.56(61.00%) 0.000088363 - 2.131872184
479 RY*(5)H20 s(0.15%)p99.99(99.85%) 0.000027363 - 2.584584274
480 RY*(1)H21 s(97.63%)p0.02(2.37%) 0.001671071 - 0.556962858
481 RY*(2)H21 s(48.10%)p1.08(51.90%) 0.000216452 - 2.071906847
482 RY*(3)H21 s(2.95%)p32.89(97.05%) 0.000099438 - 2.027754215
483 RY*(4)H21 s(51.18%)p0.95(48.82%) 0.000093545 - 2.053606783
484 RY*(5)H21 s(0.19%)p99.99(99.81%) 0.000027475 - 2.584424068
485 RY*(1)O22 s(0.60%)p99.99(94.30%)d8.58(5.10%) 0.002849071 - 0.623748702
486 RY*(2)O22 s(0.11%)p99.99(95.84%)d36.29(4.05%) 0.001409459 - 1.093847282
487 RY*(3)O22 s(1.61%)p45.50(73.39%)d15.50(25.00%) 0.000379917 - 0.883681668
488 RY*(4)O22 s(61.88%)p0.27(16.90%)d0.34(21.22%) 0.000228890 - 1.883993073
489 RY*(5)O22 s(11.63%)p4.16(48.42%)d3.43(39.95%) 0.000151266 - 2.687072877
490 RY*(6)O22 s(7.00%)p4.60(32.17%)d8.69(60.83%) 0.000106630 - 1.494646726
491 RY*(7)O22 s(0.80%)p62.42(49.93%)d61.58(49.27%) 0.000071474 - 1.764111876
492 RY*(8)O22 s(11.86%)p0.36(4.23%)d7.08(83.91%) 0.000078798 - 2.363379317
493 RY*(9)O22 s(7.64%)p9.86(75.34%)d2.23(17.02%) 0.000035203 - 1.404386788
494 RY*(10)O22 s(2.13%)p18.51(39.34%)d27.54(58.54%) 0.000037975 - 1.816661008
495 RY*(11)O22 s(13.02%)p4.78(62.31%)d1.89(24.67%) 0.000023562 - 1.684873457
496 RY*(12)O22 s(4.17%)p22.08(92.05%)d0.91(3.78%) 0.000007059 - 4.879048450
497 RY*(13)O22 s(19.39%)p0.29(5.65%)d3.87(74.96%) 0.000009333 - 1.684610684
498 RY*(14)O22 s(0.41%)p3.71(1.54%)d99.99(98.05%) 0.000002011 - 6.763356456
499 RY*(15)O22 s(48.76%)p0.35(16.84%)d0.71(34.40%) 0.000010363 - 1.636093792
500 RY*(16)O22 s(1.42%)p1.22(1.73%)d68.23(96.85%) 0.000001278 - 6.462171485
501 RY*(17)O22 s(5.68%)p16.25(92.26%)d0.36(2.06%) 0.000005622 - 5.114350379
502 RY*(18)O22 s(0.18%)p3.72(0.67%)d99.99(99.15%) 0.000001112 - 6.805159629
503 RY*(19)O22 s(0.73%)p99.99(92.34%)d9.52(6.93%) 0.000004925 - 4.750172783
504 RY*(20)O22 s(1.02%)p2.29(2.35%)d94.35(96.63%) 0.000001212 - 6.445719421
505 RY*(21)O22 s(99.87%)p0.00(0.09%)d0.00(0.04%) 0.000000045 - 49.678159267
506 RY*(22)O22 s(0.16%)p20.17(3.18%)d99.99(96.66%) 0.000002525 - 6.686936828
507 RY*(1)H23 s(94.12%)p0.06(5.88%) 0.001227148 - 2.006844250
508 RY*(2)H23 s(0.19%)p99.99(99.81%) 0.000781078 - 1.941385177
509 RY*(3)H23 s(24.22%)p3.13(75.78%) 0.000347217 - 2.155986063
510 RY*(4)H23 s(44.42%)p1.25(55.58%) 0.000114956 - 2.204251342
511 RY*(5)H23 s(37.11%)p1.69(62.89%) 0.000018315 - 1.985614105
512 RY*(1)H24 s(98.42%)p0.02(1.58%) 0.000757584 - 1.297301551
513 RY*(2)H24 s(60.42%)p0.66(39.58%) 0.000194433 - 2.013004354
514 RY*(3)H24 s(38.45%)p1.60(61.55%) 0.000142420 - 2.319097411
515 RY*(4)H24 s(2.69%)p36.23(97.31%) 0.000058816 - 2.362514275
516 RY*(5)H24 s(0.07%)p99.99(99.93%) 0.000060201 - 2.795083562
517 RY*(1)H25 s(96.11%)p0.04(3.89%) 0.001143692 - 1.548306049
518 RY*(2)H25 s(71.80%)p0.39(28.20%) 0.000209992 - 1.738816204
519 RY*(3)H25 s(26.29%)p2.80(73.71%) 0.000108692 - 2.162200749
520 RY*(4)H25 s(3.79%)p25.36(96.21%) 0.000069088 - 2.432287495
521 RY*(5)H25 s(2.05%)p47.87(97.95%) 0.000040672 - 2.786176866
522 RY*(1)C26 s(10.93%)p8.11(88.66%)d0.04(0.41%) 0.015316733 - 1.126269760
523 RY*(2)C26 s(3.43%)p21.09(72.38%)d7.05(24.19%) 0.005173337 - 1.791889785
524 RY*(3)C26 s(0.17%)p75.56(13.21%)d99.99(86.61%) 0.003072433 - 2.292475759
525 RY*(4)C26 s(16.74%)p2.29(38.29%)d2.69(44.97%) 0.001991404 - 2.070561947
526 RY*(5)C26 s(0.04%)p99.99(76.73%)d99.99(23.23%) 0.001264104 - 1.017275467
527 RY*(6)C26 s(36.19%)p0.58(21.15%)d1.18(42.66%) 0.000812255 - 1.788437676
528 RY*(7)C26 s(25.94%)p0.81(21.07%)d2.04(52.99%) 0.000437661 - 2.314151867
529 RY*(8)C26 s(7.48%)p9.96(74.51%)d2.41(18.01%) 0.000241518 - 1.994778208
530 RY*(9)C26 s(2.22%)p13.76(30.62%)d30.18(67.15%) 0.000196722 - 1.977544708
531 RY*(10)C26 s(27.33%)p0.51(13.90%)d2.15(58.77%) 0.000077797 - 8.146394442
532 RY*(11)C26 s(2.50%)p33.67(84.15%)d5.34(13.35%) 0.000039240 - 2.871958984
533 RY*(12)C26 s(17.53%)p3.40(59.66%)d1.30(22.80%) 0.000035107 - 6.278289204
534 RY*(13)C26 s(10.49%)p6.71(70.34%)d1.83(19.17%) 0.000036983 - 1.254973156
535 RY*(14)C26 s(5.06%)p13.56(68.64%)d5.20(26.30%) 0.000019971 - 2.413222276
536 RY*(15)C26 s(47.92%)p0.16(7.55%)d0.93(44.53%) 0.000004416 - 8.891289127
537 RY*(16)C26 s(4.76%)p0.40(1.89%)d19.60(93.35%) 0.000009788 - 3.794218089
538 RY*(17)C26 s(1.89%)p49.68(93.74%)d2.32(4.37%) 0.000008117 - 1.471020717
539 RY*(18)C26 s(1.90%)p4.03(7.64%)d47.65(90.46%) 0.000002197 - 3.185884218
540 RY*(19)C26 s(71.15%)p0.37(26.15%)d0.04(2.70%) 0.000008191 - 2.598580720
541 RY*(20)C26 s(1.62%)p10.01(16.21%)d50.74(82.17%) 0.000004953 - 3.104524870
542 RY*(21)C26 s(2.66%)p1.77(4.71%)d34.78(92.63%) 0.000001567 - 3.784120546
543 RY*(22)C26 s(2.06%)p4.45(9.18%)d43.05(88.76%) 0.000004811 - 2.830782270
544 RY*(1)O27 s(0.98%)p98.32(96.34%)d2.73(2.68%) 0.002821144 - 1.025614103
545 RY*(2)O27 s(0.16%)p99.99(93.92%)d36.16(5.91%) 0.001695876 - 0.739822311
546 RY*(3)O27 s(24.64%)p2.97(73.17%)d0.09(2.19%) 0.000483722 - 0.670344869
547 RY*(4)O27 s(19.27%)p0.84(16.28%)d3.34(64.45%) 0.000233630 - 1.953760288
548 RY*(5)O27 s(1.38%)p12.79(17.62%)d58.80(81.00%) 0.000095276 - 2.724617391
549 RY*(6)O27 s(7.86%)p3.01(23.69%)d8.70(68.45%) 0.000081844 - 1.855117275
550 RY*(7)O27 s(8.06%)p3.54(28.51%)d7.87(63.43%) 0.000087790 - 1.891205098
551 RY*(8)O27 s(0.17%)p99.99(92.21%)d43.95(7.62%) 0.000024465 - 1.474488618
552 RY*(9)O27 s(87.13%)p0.03(2.92%)d0.11(9.95%) 0.000029634 - 1.362432345
553 RY*(10)O27 s(22.19%)p2.82(62.50%)d0.69(15.30%) 0.000027847 - 2.273060124
554 RY*(11)O27 s(18.19%)p0.29(5.32%)d4.20(76.48%) 0.000031684 - 2.143545318
555 RY*(12)O27 s(6.87%)p12.43(85.34%)d1.14(7.80%) 0.000027012 - 1.472558585
556 RY*(13)O27 s(0.05%)p99.99(90.52%)d99.99(9.43%) 0.000003262 - 4.176460734
557 RY*(14)O27 s(0.21%)p3.93(0.83%)d99.99(98.95%) 0.000000255 - 6.749182954
558 RY*(15)O27 s(99.78%)p0.00(0.15%)d0.00(0.07%) 0.000000061 - 49.585728815
559 RY*(16)O27 s(0.17%)p6.12(1.04%)d99.99(98.79%) 0.000000248 - 6.619604638
560 RY*(17)O27 s(0.77%)p10.62(8.20%)d99.99(91.03%) 0.000003055 - 1.618181230
561 RY*(18)O27 s(0.06%)p43.38(2.76%)d99.99(97.18%) 0.000000452 - 6.664839160
562 RY*(19)O27 s(0.47%)p99.99(98.27%)d2.70(1.26%) 0.000001611 - 4.877033716
563 RY*(20)O27 s(1.07%)p1.64(1.74%)d91.19(97.19%) 0.000001996 - 6.525935294
564 RY*(21)O27 s(0.21%)p99.99(99.37%)d2.07(0.43%) 0.000000543 - 5.028699298
565 RY*(22)O27 s(0.34%)p1.52(0.52%)d99.99(99.14%) 0.000000325 - 6.755561028
566 RY*(1)C28 s(9.05%)p9.32(84.35%)d0.73(6.60%) 0.001877684 - 0.829665189
567 RY*(2)C28 s(9.26%)p5.29(48.94%)d4.52(41.80%) 0.000935529 - 1.023721973
568 RY*(3)C28 s(3.05%)p6.45(19.66%)d25.37(77.29%) 0.000601700 - 1.066388506
569 RY*(4)C28 s(7.20%)p7.76(55.90%)d5.12(36.90%) 0.000459791 - 0.868528835
570 RY*(5)C28 s(9.86%)p2.46(24.27%)d6.68(65.87%) 0.000257167 - 1.469775141
571 RY*(6)C28 s(14.69%)p2.34(34.32%)d3.47(50.99%) 0.000206180 - 1.451360503
572 RY*(7)C28 s(23.76%)p1.32(31.39%)d1.89(44.85%) 0.000083879 - 1.068453506
573 RY*(8)C28 s(12.43%)p6.21(77.18%)d0.84(10.38%) 0.000092726 - 2.395928543
574 RY*(9)C28 s(0.81%)p87.91(71.35%)d34.29(27.83%) 0.000060369 - 0.732284434
575 RY*(10)C28 s(15.18%)p2.49(37.82%)d3.10(46.99%) 0.000033591 - 1.680118818
576 RY*(11)C28 s(9.58%)p7.74(74.19%)d1.69(16.22%) 0.000026279 - 1.145113525
577 RY*(12)C28 s(6.03%)p13.91(83.82%)d1.68(10.15%) 0.000005392 - 2.538144082
578 RY*(13)C28 s(1.34%)p20.22(27.02%)d53.60(71.64%) 0.000010862 - 1.410501889
579 RY*(14)C28 s(14.82%)p4.84(71.73%)d0.91(13.46%) 0.000012035 - 1.162556694
580 RY*(15)C28 s(95.87%)p0.03(3.19%)d0.01(0.94%) 0.000000121 - 22.492097037
581 RY*(16)C28 s(0.36%)p1.81(0.65%)d99.99(99.00%) 0.000005362 - 3.250719207
582 RY*(17)C28 s(3.71%)p23.79(88.32%)d2.15(7.97%) 0.000007384 - 2.574420588
583 RY*(18)C28 s(0.52%)p12.00(6.29%)d99.99(93.18%) 0.000000915 - 3.378616134
584 RY*(19)C28 s(0.51%)p12.38(6.27%)d99.99(93.22%) 0.000001409 - 3.403082135
585 RY*(20)C28 s(1.02%)p4.24(4.34%)d92.38(94.63%) 0.000001556 - 3.418847519
586 RY*(21)C28 s(60.94%)p0.48(29.22%)d0.16(9.84%) 0.000008930 - 0.985800137
587 RY*(22)C28 s(0.04%)p99.99(20.17%)d99.99(79.79%) 0.000005389 - 2.826926314
588 RY*(1)H29 s(95.60%)p0.05(4.40%) 0.000732768 - 1.117913604
589 RY*(2)H29 s(81.90%)p0.22(18.10%) 0.000208875 - 1.940884591
590 RY*(3)H29 s(0.62%)p99.99(99.38%) 0.000093344 - 2.040121298
591 RY*(4)H29 s(18.12%)p4.52(81.88%) 0.000079996 - 1.905217901
592 RY*(5)H29 s(3.78%)p25.43(96.22%) 0.000034307 - 2.734921608
593 RY*(1)H30 s(95.90%)p0.04(4.10%) 0.000791084 - 0.980742487
594 RY*(2)H30 s(66.94%)p0.49(33.06%) 0.000187082 - 2.053604374
595 RY*(3)H30 s(2.82%)p34.46(97.18%) 0.000107668 - 2.029505116
596 RY*(4)H30 s(30.51%)p2.28(69.49%) 0.000098916 - 1.959336134
597 RY*(5)H30 s(3.85%)p25.00(96.15%) 0.000031714 - 2.701567810
598 RY*(1)H31 s(97.18%)p0.03(2.82%) 0.000991211 - 1.028713975
599 RY*(2)H31 s(74.32%)p0.35(25.68%) 0.000134586 - 2.188416802
600 RY*(3)H31 s(10.04%)p8.96(89.96%) 0.000102912 - 1.983239122
601 RY*(4)H31 s(3.73%)p25.80(96.27%) 0.000097008 - 2.014829378
602 RY*(5)H31 s(14.75%)p5.78(85.25%) 0.000027491 - 2.485503540
603 RY*(1)C32 s(0.06%)p99.99(88.41%)d99.99(11.52%) 0.005809242 - 1.358424280
604 RY*(2)C32 s(3.07%)p31.22(95.72%)d0.40(1.21%) 0.002107031 - 1.338845236
605 RY*(3)C32 s(0.91%)p86.07(78.30%)d22.86(20.79%) 0.001294775 - 0.760610680
606 RY*(4)C32 s(61.91%)p0.13(8.12%)d0.48(29.97%) 0.000734857 - 1.994273071
607 RY*(5)C32 s(0.42%)p76.19(32.15%)d99.99(67.43%) 0.000503134 - 1.851781851
608 RY*(6)C32 s(9.37%)p2.99(27.96%)d6.69(62.68%) 0.000407992 - 1.720325286
609 RY*(7)C32 s(19.25%)p1.01(19.50%)d3.18(61.24%) 0.000269670 - 2.015450558
610 RY*(8)C32 s(9.87%)p4.84(47.75%)d4.30(42.38%) 0.000170319 - 2.421649197
611 RY*(9)C32 s(10.92%)p2.94(32.16%)d5.21(56.92%) 0.000100438 - 2.016480160
612 RY*(10)C32 s(2.35%)p21.75(51.07%)d19.84(46.58%) 0.000085331 - 1.739615046
613 RY*(11)C32 s(1.71%)p24.00(41.07%)d33.44(57.22%) 0.000050264 - 3.558171199
614 RY*(12)C32 s(6.53%)p5.32(34.78%)d8.98(58.69%) 0.000053091 - 3.018116771
615 RY*(13)C32 s(2.60%)p10.18(26.43%)d27.35(70.98%) 0.000037614 - 1.529199744
616 RY*(14)C32 s(11.09%)p4.68(51.93%)d3.33(36.98%) 0.000026010 - 1.444152350
617 RY*(15)C32 s(9.87%)p6.12(60.46%)d3.00(29.67%) 0.000026515 - 2.952010673
618 RY*(16)C32 s(4.23%)p4.61(19.51%)d18.03(76.26%) 0.000013063 - 2.567434578
619 RY*(17)C32 s(4.30%)p18.50(79.62%)d3.74(16.07%) 0.000007376 - 3.015486265
620 RY*(18)C32 s(50.18%)p0.79(39.51%)d0.21(10.31%) 0.000008009 - 1.530504259
621 RY*(19)C32 s(1.67%)p14.43(24.04%)d44.61(74.30%) 0.000005069 - 2.807071624
622 RY*(20)C32 s(82.64%)p0.19(15.93%)d0.02(1.43%) 0.000002527 - 17.902006660
623 RY*(21)C32 s(2.28%)p2.15(4.91%)d40.72(92.81%) 0.000002233 - 3.335211958
624 RY*(22)C32 s(4.92%)p4.24(20.82%)d15.10(74.26%) 0.000005498 - 2.820217786
625 RY*(1)C33 s(0.47%)p99.99(89.71%)d20.68(9.82%) 0.005965650 - 1.305936209
626 RY*(2)C33 s(0.08%)p99.99(97.95%)d24.37(1.97%) 0.002132616 - 1.127044695
627 RY*(3)C33 s(0.09%)p99.99(85.59%)d99.99(14.32%) 0.001064567 - 0.450392260
628 RY*(4)C33 s(25.46%)p0.49(12.52%)d2.44(62.01%) 0.000746394 - 2.181366811
629 RY*(5)C33 s(3.80%)p0.60(2.28%)d24.70(93.92%) 0.000402239 - 2.481241200
630 RY*(6)C33 s(48.06%)p0.27(13.14%)d0.81(38.79%) 0.000376087 - 1.338408648
631 RY*(7)C33 s(0.56%)p72.30(40.18%)d99.99(59.27%) 0.000254478 - 3.081020683
632 RY*(8)C33 s(1.78%)p20.20(36.04%)d34.84(62.18%) 0.000130858 - 2.600197121
633 RY*(9)C33 s(25.57%)p2.04(52.28%)d0.87(22.16%) 0.000093768 - 1.458504847
634 RY*(10)C33 s(6.84%)p7.19(49.20%)d6.43(43.96%) 0.000086846 - 0.984378350
635 RY*(11)C33 s(15.75%)p1.08(16.98%)d4.27(67.27%) 0.000072638 - 1.412073217
636 RY*(12)C33 s(5.35%)p11.46(61.31%)d6.23(33.34%) 0.000043623 - 1.359530870
637 RY*(13)C33 s(4.45%)p9.46(42.09%)d12.02(53.46%) 0.000037257 - 3.187187583
638 RY*(14)C33 s(0.57%)p99.99(64.20%)d61.28(35.22%) 0.000012284 - 2.386460923
639 RY*(15)C33 s(0.66%)p13.57(8.90%)d99.99(90.45%) 0.000008212 - 2.896236849
640 RY*(16)C33 s(3.03%)p2.08(6.31%)d29.90(90.65%) 0.000006498 - 2.662123809
641 RY*(17)C33 s(1.21%)p77.40(93.34%)d4.52(5.45%) 0.000007728 - 2.928114036
642 RY*(18)C33 s(4.49%)p13.74(61.70%)d7.53(33.81%) 0.000015809 - 2.523671514
643 RY*(19)C33 s(54.06%)p0.65(35.24%)d0.20(10.71%) 0.000012554 - 1.159486504
644 RY*(20)C33 s(2.98%)p2.95(8.79%)d29.63(88.24%) 0.000001896 - 3.050588915
645 RY*(21)C33 s(2.06%)p8.24(16.96%)d39.36(80.98%) 0.000004362 - 3.223144015
646 RY*(22)C33 s(92.83%)p0.06(5.44%)d0.02(1.73%) 0.000007441 - 19.211048897
647 RY*(1)H34 s(99.92%)p0.00(0.08%) 0.000716173 - 1.295545892
648 RY*(2)H34 s(2.20%)p44.37(97.80%) 0.000206336 - 1.938567437
649 RY*(3)H34 s(88.22%)p0.13(11.78%) 0.000173373 - 2.006813891
650 RY*(4)H34 s(3.37%)p28.67(96.63%) 0.000050659 - 2.635705645
651 RY*(5)H34 s(6.33%)p14.80(93.67%) 0.000037622 - 2.659237386
652 RY*(1)H35 s(99.71%)p0.00(0.29%) 0.000632108 - 1.542192379
653 RY*(2)H35 s(4.21%)p22.78(95.79%) 0.000205943 - 1.971485141
654 RY*(3)H35 s(91.46%)p0.09(8.54%) 0.000157493 - 1.774400832
655 RY*(4)H35 s(3.09%)p31.35(96.91%) 0.000065728 - 2.803088690
656 RY*(5)H35 s(1.57%)p62.89(98.43%) 0.000038475 - 2.647511103
657 RY*(1)H36 s(99.74%)p0.00(0.26%) 0.000675615 - 1.639264856
658 RY*(2)H36 s(0.04%)p99.99(99.96%) 0.000202117 - 1.984965191
659 RY*(3)H36 s(92.36%)p0.08(7.64%) 0.000147936 - 1.844294828
660 RY*(4)H36 s(5.47%)p17.29(94.53%) 0.000066280 - 2.751937238
661 RY*(5)H36 s(2.42%)p40.27(97.58%) 0.000035993 - 2.650293003
662 RY*(1)H37 s(99.93%)p0.00(0.07%) 0.000656014 - 1.306300910
663 RY*(2)H37 s(8.09%)p11.36(91.91%) 0.000209312 - 1.940494971
664 RY*(3)H37 s(81.51%)p0.23(18.49%) 0.000161563 - 2.029504711
665 RY*(4)H37 s(1.40%)p70.48(98.60%) 0.000051194 - 2.602960823
666 RY*(5)H37 s(9.11%)p9.98(90.89%) 0.000046793 - 2.687998754
667 RY*(1)H38 s(95.57%)p0.05(4.43%) 0.000793403 - 0.870543513
668 RY*(2)H38 s(43.53%)p1.30(56.47%) 0.000109368 - 2.075693829
669 RY*(3)H38 s(14.39%)p5.95(85.61%) 0.000100770 - 1.978763618
670 RY*(4)H38 s(34.20%)p1.92(65.80%) 0.000069684 - 2.289539297
671 RY*(5)H38 s(12.33%)p7.11(87.67%) 0.000024473 - 2.477271902
672 RY*(1)H39 s(96.79%)p0.03(3.21%) 0.000798967 - 0.752381525
673 RY*(2)H39 s(48.77%)p1.05(51.23%) 0.000143883 - 2.025384698
674 RY*(3)H39 s(0.97%)p99.99(99.03%) 0.000097052 - 1.981453957
675 RY*(4)H39 s(51.24%)p0.95(48.76%) 0.000062844 - 2.258005807
676 RY*(5)H39 s(2.25%)p43.41(97.75%) 0.000036986 - 2.701992888
677 RY*(1)H40 s(96.87%)p0.03(3.13%) 0.000793443 - 0.729590608
678 RY*(2)H40 s(49.12%)p1.04(50.88%) 0.000148310 - 2.021545555
679 RY*(3)H40 s(1.30%)p75.78(98.70%) 0.000097917 - 1.971818265
680 RY*(4)H40 s(50.92%)p0.96(49.08%) 0.000059667 - 2.172983171
681 RY*(5)H40 s(1.81%)p54.21(98.19%) 0.000041446 - 2.789235201

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-C2 2188, 2189 1.982659115 - -0.633180690
2 BD(1)C1-H38 2190, 2191 1.989304614 - -0.507075843
3 BD(1)C1-H39 2192, 2193 1.980967443 - -0.505076034
4 BD(1)C1-H40 2194, 2195 1.977678365 - -0.504117802
5 BD(1)C2-C3 2196, 2197 1.973364842 - -0.695889675
6 BD(1)C2-C33 2198, 2199 1.973614141 - -0.698102478
7 BD(2)C2-C33 2200, 2201 1.647002567 - -0.252047499
8 BD(1)C3-C4 2202, 2203 1.974652492 - -0.700950796
9 BD(2)C3-C4 2204, 2205 1.668805452 - -0.254846224
10 BD(1)C3-H37 2206, 2207 1.978667539 - -0.517205154
11 BD(1)C4-C5 2208, 2209 1.971227827 - -0.703799152
12 BD(1)C4-H36 2210, 2211 1.976819827 - -0.517509785
13 BD(1)C5-N6 2212, 2213 1.982083244 - -0.761175140
14 BD(1)C5-C32 2214, 2215 1.971959561 - -0.705686462
15 BD(2)C5-C32 2216, 2217 1.672072380 - -0.260490147
16 BD(1)N6-C7 2218, 2219 1.973671824 - -0.705882762
17 BD(1)N6-C26 2220, 2221 1.984033979 - -0.804433359
18 BD(1)C7-C8 2222, 2223 1.973290229 - -0.619540695
19 BD(1)C7-H24 2224, 2225 1.980732511 - -0.501269289
20 BD(1)C7-H25 2226, 2227 1.973548820 - -0.494624180
21 BD(1)C8-C9 2228, 2229 1.969587908 - -0.703076072
22 BD(2)C8-C9 2230, 2231 1.670532138 - -0.254513116
23 BD(1)C8-C13 2232, 2233 1.969697513 - -0.679891360
24 BD(1)C9-C10 2234, 2235 1.969531243 - -0.704958648
25 BD(1)C9-O22 2236, 2237 1.992444221 - -0.904031486
26 BD(1)C10-C11 2238, 2239 1.976415629 - -0.718108466
27 BD(2)C10-C11 2240, 2241 1.716645964 - -0.266139727
28 BD(1)C10-O17 2242, 2243 1.990507294 - -0.898045996
29 BD(1)C11-C12 2244, 2245 1.972945402 - -0.689479050
30 BD(1)C11-H16 2246, 2247 1.976074555 - -0.524786648
31 BD(1)C12-C13 2248, 2249 1.977228709 - -0.691953390
32 BD(2)C12-C13 2250, 2251 1.704157962 - -0.243959399
33 BD(1)C12-H15 2252, 2253 1.978960324 - -0.507216941
34 BD(1)C13-H14 2254, 2255 1.977203543 - -0.498840885
35 BD(1)O17-C18 2256, 2257 1.992960124 - -0.840719841
36 BD(1)C18-H19 2258, 2259 1.991412075 - -0.541222846
37 BD(1)C18-H20 2260, 2261 1.994672703 - -0.543217095
38 BD(1)C18-H21 2262, 2263 1.994678897 - -0.543383275
39 BD(1)O22-H23 2264, 2265 1.987337898 - -0.738078993
40 BD(1)C26-O27 2266, 2267 1.992094057 - -1.042602820
41 BD(2)C26-O27 2268, 2269 1.988216496 - -0.355215051
42 BD(1)C26-C28 2270, 2271 1.982613993 - -0.631303842
43 BD(1)C28-H29 2272, 2273 1.978598971 - -0.507075081
44 BD(1)C28-H30 2274, 2275 1.972436320 - -0.504903624
45 BD(1)C28-H31 2276, 2277 1.986510355 - -0.500075732
46 BD(1)C32-C33 2278, 2279 1.974589727 - -0.700038870
47 BD(1)C32-H35 2280, 2281 1.977026166 - -0.519055107
48 BD(1)C33-H34 2282, 2283 1.978929227 - -0.517591074
49 CR(1)C1 2284 1.999296916 - -10.030194031
50 CR(1)C2 2285 1.999036631 - -10.044239354
51 CR(1)C3 2286 1.999036663 - -10.029504862
52 CR(1)C4 2287 1.999013732 - -10.029935232
53 CR(1)C5 2288 1.998909914 - -10.070831716
54 CR(1)N6 2289 1.999201498 - -14.170060064
55 CR(1)C7 2290 1.999134274 - -10.061958165
56 CR(1)C8 2291 1.998924690 - -10.029636083
57 CR(1)C9 2292 1.998594974 - -10.095986791
58 CR(1)C10 2293 1.998692442 - -10.101022795
59 CR(1)C11 2294 1.999057827 - -10.028813037
60 CR(1)C12 2295 1.999173282 - -10.021469339
61 CR(1)C13 2296 1.999065818 - -10.013279550
62 CR(1)O17 2297 1.999707181 - -18.972619720
63 CR(1)C18 2298 1.999254555 - -10.113205484
64 CR(1)O22 2299 1.999750479 - -18.935762005
65 CR(1)C26 2300 1.999320583 - -10.140679937
66 CR(1)O27 2301 1.999748332 - -18.816369707
67 CR(1)C28 2302 1.999265484 - -10.025414085
68 CR(1)C32 2303 1.999007946 - -10.030772825
69 CR(1)C33 2304 1.999040895 - -10.029852817
70 LP(1)N6 2305 1.693787486 - -0.243094769
71 LP(1)O17 2306 1.959799590 - -0.569946687
72 LP(2)O17 2307 1.863761059 - -0.331634508
73 LP(1)O22 2308 1.977953719 - -0.609980746
74 LP(2)O22 2309 1.878788654 - -0.322116507
75 LP(1)O27 2310 1.977448251 - -0.670140744
76 LP(2)O27 2311 1.869989766 - -0.240557248
77 RY*(1)C1 2312 0.003424487 - 0.697900184
78 RY*(2)C1 2313 0.000954190 - 0.899090753
79 RY*(3)C1 2314 0.000375604 - 0.950062015
80 RY*(4)C1 2315 0.000253990 - 1.696634776
81 RY*(5)C1 2316 0.000230083 - 2.077615425
82 RY*(6)C1 2317 0.000065254 - 1.499100912
83 RY*(7)C1 2318 0.000071672 - 1.377181998
84 RY*(8)C1 2319 0.000020839 - 0.880092276
85 RY*(9)C1 2320 0.000006981 - 0.563876654
86 RY*(10)C1 2321 0.000015633 - 1.421998210
87 RY*(11)C1 2322 0.000001678 - 2.855947828
88 RY*(12)C1 2323 0.000001777 - 3.019745631
89 RY*(13)C1 2324 0.000010858 - 0.754083454
90 RY*(14)C1 2325 0.000005825 - 2.939878671
91 RY*(15)C1 2326 0.000004289 - 1.478553894
92 RY*(16)C1 2327 0.000003603 - 3.031905796
93 RY*(17)C1 2328 0.000000713 - 22.668648624
94 RY*(18)C1 2329 0.000002557 - 2.260550686
95 RY*(19)C1 2330 0.000005750 - 1.692029107
96 RY*(20)C1 2331 0.000004612 - 2.149127896
97 RY*(21)C1 2332 0.000001718 - 2.625595156
98 RY*(22)C1 2333 0.000003461 - 3.292377994
99 RY*(1)C2 2334 0.006069566 - 1.369736692
100 RY*(2)C2 2335 0.002951825 - 1.178446657
101 RY*(3)C2 2336 0.001540483 - 0.856756674
102 RY*(4)C2 2337 0.001238759 - 2.300246576
103 RY*(5)C2 2338 0.000924205 - 2.237963412
104 RY*(6)C2 2339 0.000445123 - 2.922348425
105 RY*(7)C2 2340 0.000381142 - 1.270756042
106 RY*(8)C2 2341 0.000248094 - 1.644896777
107 RY*(9)C2 2342 0.000147215 - 1.690099032
108 RY*(10)C2 2343 0.000121270 - 3.734273253
109 RY*(11)C2 2344 0.000093184 - 2.619440507
110 RY*(12)C2 2345 0.000049167 - 3.306888811
111 RY*(13)C2 2346 0.000057213 - 2.900924690
112 RY*(14)C2 2347 0.000020158 - 1.505302860
113 RY*(15)C2 2348 0.000027632 - 1.384508425
114 RY*(16)C2 2349 0.000002591 - 2.737157777
115 RY*(17)C2 2350 0.000010347 - 1.757925138
116 RY*(18)C2 2351 0.000002656 - 19.541395121
117 RY*(19)C2 2352 0.000003190 - 1.524672555
118 RY*(20)C2 2353 0.000002339 - 2.100329374
119 RY*(21)C2 2354 0.000011476 - 3.566524473
120 RY*(22)C2 2355 0.000004497 - 2.333015261
121 RY*(1)C3 2356 0.006181417 - 1.292265088
122 RY*(2)C3 2357 0.002185899 - 1.159172634
123 RY*(3)C3 2358 0.001141233 - 0.463578642
124 RY*(4)C3 2359 0.000748569 - 2.063350606
125 RY*(5)C3 2360 0.000390060 - 2.669978412
126 RY*(6)C3 2361 0.000376539 - 1.830828896
127 RY*(7)C3 2362 0.000216325 - 2.672203061
128 RY*(8)C3 2363 0.000130873 - 2.792584265
129 RY*(9)C3 2364 0.000105402 - 1.071572289
130 RY*(10)C3 2365 0.000086435 - 1.500025704
131 RY*(11)C3 2366 0.000061943 - 1.764003087
132 RY*(12)C3 2367 0.000040127 - 2.073271118
133 RY*(13)C3 2368 0.000029552 - 3.366567841
134 RY*(14)C3 2369 0.000026165 - 2.402611849
135 RY*(15)C3 2370 0.000009733 - 2.086623996
136 RY*(16)C3 2371 0.000003221 - 2.984177222
137 RY*(17)C3 2372 0.000006973 - 2.490688576
138 RY*(18)C3 2373 0.000013185 - 1.096506311
139 RY*(19)C3 2374 0.000005408 - 18.520933443
140 RY*(20)C3 2375 0.000008688 - 2.138110969
141 RY*(21)C3 2376 0.000006250 - 3.520322097
142 RY*(22)C3 2377 0.000005032 - 3.222736069
143 RY*(1)C4 2378 0.005754110 - 1.345315146
144 RY*(2)C4 2379 0.002147463 - 1.331696067
145 RY*(3)C4 2380 0.001247381 - 0.698653287
146 RY*(4)C4 2381 0.000673212 - 2.030099086
147 RY*(5)C4 2382 0.000520902 - 1.937934484
148 RY*(6)C4 2383 0.000365463 - 2.013117076
149 RY*(7)C4 2384 0.000297529 - 1.638343602
150 RY*(8)C4 2385 0.000162044 - 2.037127879
151 RY*(9)C4 2386 0.000126900 - 2.169311806
152 RY*(10)C4 2387 0.000089903 - 1.258257760
153 RY*(11)C4 2388 0.000063232 - 4.292002747
154 RY*(12)C4 2389 0.000044961 - 1.642213160
155 RY*(13)C4 2390 0.000053205 - 3.274779081
156 RY*(14)C4 2391 0.000017071 - 2.637660222
157 RY*(15)C4 2392 0.000026238 - 1.591385806
158 RY*(16)C4 2393 0.000018293 - 3.442741950
159 RY*(17)C4 2394 0.000015007 - 0.864091792
160 RY*(18)C4 2395 0.000017518 - 1.169344966
161 RY*(19)C4 2396 0.000001952 - 19.395213721
162 RY*(20)C4 2397 0.000005459 - 2.984553254
163 RY*(21)C4 2398 0.000002262 - 3.478909281
164 RY*(22)C4 2399 0.000007540 - 2.720688223
165 RY*(1)C5 2400 0.006814372 - 1.312761809
166 RY*(2)C5 2401 0.003726415 - 0.911190749
167 RY*(3)C5 2402 0.002938754 - 1.303503585
168 RY*(4)C5 2403 0.001627872 - 0.806552464
169 RY*(5)C5 2404 0.001395433 - 1.097732605
170 RY*(6)C5 2405 0.001150888 - 1.018757768
171 RY*(7)C5 2406 0.000894993 - 2.204557908
172 RY*(8)C5 2407 0.000773791 - 1.505270938
173 RY*(9)C5 2408 0.000517563 - 2.887522782
174 RY*(10)C5 2409 0.000477264 - 2.901902497
175 RY*(11)C5 2410 0.000331010 - 2.453349706
176 RY*(12)C5 2411 0.000253060 - 2.233161501
177 RY*(13)C5 2412 0.000206150 - 2.488251565
178 RY*(14)C5 2413 0.000138729 - 3.062384243
179 RY*(15)C5 2414 0.000079313 - 2.436055459
180 RY*(16)C5 2415 0.000037320 - 3.671696542
181 RY*(17)C5 2416 0.000044944 - 3.367485267
182 RY*(18)C5 2417 0.000023916 - 2.136235016
183 RY*(19)C5 2418 0.000020707 - 4.583721781
184 RY*(20)C5 2419 0.000018594 - 5.645383781
185 RY*(21)C5 2420 0.000005164 - 15.095328463
186 RY*(22)C5 2421 0.000007139 - 2.814248828
187 RY*(1)N6 2422 0.011147914 - 0.831468749
188 RY*(2)N6 2423 0.004311947 - 1.124977025
189 RY*(3)N6 2424 0.002507984 - 0.859565607
190 RY*(4)N6 2425 0.001861328 - 0.947845152
191 RY*(5)N6 2426 0.001123016 - 1.801161645
192 RY*(6)N6 2427 0.000867591 - 1.831393805
193 RY*(7)N6 2428 0.000531501 - 1.103029110
194 RY*(8)N6 2429 0.000467599 - 2.129927325
195 RY*(9)N6 2430 0.000361898 - 1.852986280
196 RY*(10)N6 2431 0.000330984 - 2.067567055
197 RY*(11)N6 2432 0.000261070 - 1.718953502
198 RY*(12)N6 2433 0.000206320 - 1.866943230
199 RY*(13)N6 2434 0.000105990 - 2.137605621
200 RY*(14)N6 2435 0.000061715 - 4.231647240
201 RY*(15)N6 2436 0.000070278 - 3.918166459
202 RY*(16)N6 2437 0.000056757 - 4.686872066
203 RY*(17)N6 2438 0.000048262 - 4.379874427
204 RY*(18)N6 2439 0.000016213 - 4.175866189
205 RY*(19)N6 2440 0.000023836 - 4.283945041
206 RY*(20)N6 2441 0.000004482 - 4.109328009
207 RY*(21)N6 2442 0.000000488 - 34.809843921
208 RY*(22)N6 2443 0.000002459 - 4.954585967
209 RY*(1)C7 2444 0.008298831 - 1.101000758
210 RY*(2)C7 2445 0.002052343 - 1.194042900
211 RY*(3)C7 2446 0.001471868 - 0.981479146
212 RY*(4)C7 2447 0.001059804 - 1.645503137
213 RY*(5)C7 2448 0.000611844 - 2.101966616
214 RY*(6)C7 2449 0.000398436 - 1.885479101
215 RY*(7)C7 2450 0.000343692 - 1.669524259
216 RY*(8)C7 2451 0.000291254 - 1.755543062
217 RY*(9)C7 2452 0.000186841 - 1.485046034
218 RY*(10)C7 2453 0.000108850 - 2.403159793
219 RY*(11)C7 2454 0.000066235 - 1.654787925
220 RY*(12)C7 2455 0.000048923 - 1.255383491
221 RY*(13)C7 2456 0.000037893 - 3.511169446
222 RY*(14)C7 2457 0.000039006 - 2.439453772
223 RY*(15)C7 2458 0.000044228 - 1.942139988
224 RY*(16)C7 2459 0.000014595 - 2.638050855
225 RY*(17)C7 2460 0.000013825 - 3.400759796
226 RY*(18)C7 2461 0.000014527 - 3.975386292
227 RY*(19)C7 2462 0.000009754 - 1.816525904
228 RY*(20)C7 2463 0.000013712 - 3.177436427
229 RY*(21)C7 2464 0.000001054 - 19.833328439
230 RY*(22)C7 2465 0.000005662 - 2.994375878
231 RY*(1)C8 2466 0.005905471 - 1.452038457
232 RY*(2)C8 2467 0.003954321 - 1.294897236
233 RY*(3)C8 2468 0.002430366 - 0.742755297
234 RY*(4)C8 2469 0.001007236 - 2.125995786
235 RY*(5)C8 2470 0.000735661 - 1.897092226
236 RY*(6)C8 2471 0.000553128 - 2.288254289
237 RY*(7)C8 2472 0.000390896 - 2.983663059
238 RY*(8)C8 2473 0.000288584 - 1.677088389
239 RY*(9)C8 2474 0.000205437 - 2.304000023
240 RY*(10)C8 2475 0.000152828 - 2.573960737
241 RY*(11)C8 2476 0.000117218 - 1.974571545
242 RY*(12)C8 2477 0.000076162 - 2.109651875
243 RY*(13)C8 2478 0.000084013 - 3.236919254
244 RY*(14)C8 2479 0.000082064 - 2.615453586
245 RY*(15)C8 2480 0.000045826 - 3.152784141
246 RY*(16)C8 2481 0.000031229 - 2.382903638
247 RY*(17)C8 2482 0.000038344 - 3.519469118
248 RY*(18)C8 2483 0.000009683 - 3.259432396
249 RY*(19)C8 2484 0.000018633 - 6.415962595
250 RY*(20)C8 2485 0.000018475 - 3.010652216
251 RY*(21)C8 2486 0.000003599 - 2.964813702
252 RY*(22)C8 2487 0.000004948 - 12.898329805
253 RY*(1)C9 2488 0.006770297 - 1.274406840
254 RY*(2)C9 2489 0.003726150 - 1.525675535
255 RY*(3)C9 2490 0.001495437 - 1.933031305
256 RY*(4)C9 2491 0.001254164 - 2.102028596
257 RY*(5)C9 2492 0.000776611 - 2.539272847
258 RY*(6)C9 2493 0.000613616 - 2.526150385
259 RY*(7)C9 2494 0.000565745 - 1.891438253
260 RY*(8)C9 2495 0.000436054 - 2.287699908
261 RY*(9)C9 2496 0.000347188 - 1.639578133
262 RY*(10)C9 2497 0.000250485 - 2.735359511
263 RY*(11)C9 2498 0.000190906 - 2.490540585
264 RY*(12)C9 2499 0.000067525 - 4.705576899
265 RY*(13)C9 2500 0.000075206 - 2.549833166
266 RY*(14)C9 2501 0.000060883 - 2.144208156
267 RY*(15)C9 2502 0.000047145 - 2.206284118
268 RY*(16)C9 2503 0.000039298 - 2.796067686
269 RY*(17)C9 2504 0.000023010 - 1.907478180
270 RY*(18)C9 2505 0.000017918 - 3.121449687
271 RY*(19)C9 2506 0.000006286 - 13.841987459
272 RY*(20)C9 2507 0.000006780 - 2.340525784
273 RY*(21)C9 2508 0.000008674 - 2.783230761
274 RY*(22)C9 2509 0.000003199 - 3.336051411
275 RY*(1)C10 2510 0.006219977 - 1.387397321
276 RY*(2)C10 2511 0.003815835 - 1.534809899
277 RY*(3)C10 2512 0.001707988 - 1.561096407
278 RY*(4)C10 2513 0.001391943 - 1.475403585
279 RY*(5)C10 2514 0.000815100 - 1.610103314
280 RY*(6)C10 2515 0.000792436 - 2.666059473
281 RY*(7)C10 2516 0.000452473 - 2.446733111
282 RY*(8)C10 2517 0.000387305 - 1.489304314
283 RY*(9)C10 2518 0.000318879 - 2.177981063
284 RY*(10)C10 2519 0.000232919 - 1.353706558
285 RY*(11)C10 2520 0.000148114 - 2.477678707
286 RY*(12)C10 2521 0.000111280 - 2.933244531
287 RY*(13)C10 2522 0.000119726 - 2.582423966
288 RY*(14)C10 2523 0.000071825 - 3.326669648
289 RY*(15)C10 2524 0.000050028 - 3.970353798
290 RY*(16)C10 2525 0.000029972 - 2.322511665
291 RY*(17)C10 2526 0.000033808 - 4.068181882
292 RY*(18)C10 2527 0.000021023 - 2.467034018
293 RY*(19)C10 2528 0.000007524 - 12.972571920
294 RY*(20)C10 2529 0.000003933 - 3.310103893
295 RY*(21)C10 2530 0.000004213 - 2.399468558
296 RY*(22)C10 2531 0.000004717 - 3.140959314
297 RY*(1)C11 2532 0.004778595 - 1.385260923
298 RY*(2)C11 2533 0.001945129 - 1.451093177
299 RY*(3)C11 2534 0.001460374 - 0.430248444
300 RY*(4)C11 2535 0.001001739 - 2.187076028
301 RY*(5)C11 2536 0.000567955 - 2.057779718
302 RY*(6)C11 2537 0.000481868 - 1.286693064
303 RY*(7)C11 2538 0.000252808 - 1.870229712
304 RY*(8)C11 2539 0.000224253 - 1.107404930
305 RY*(9)C11 2540 0.000186584 - 1.055348165
306 RY*(10)C11 2541 0.000095802 - 2.278292664
307 RY*(11)C11 2542 0.000067211 - 2.663589009
308 RY*(12)C11 2543 0.000053810 - 3.707235456
309 RY*(13)C11 2544 0.000022124 - 2.036200121
310 RY*(14)C11 2545 0.000024263 - 2.808690435
311 RY*(15)C11 2546 0.000002908 - 2.278919663
312 RY*(16)C11 2547 0.000007788 - 2.683396131
313 RY*(17)C11 2548 0.000001888 - 2.861697140
314 RY*(18)C11 2549 0.000009210 - 3.248845925
315 RY*(19)C11 2550 0.000002867 - 18.709241542
316 RY*(20)C11 2551 0.000003905 - 1.753104226
317 RY*(21)C11 2552 0.000005950 - 2.743824840
318 RY*(22)C11 2553 0.000002935 - 2.735620972
319 RY*(1)C12 2554 0.006212710 - 1.259553386
320 RY*(2)C12 2555 0.002303697 - 1.268387776
321 RY*(3)C12 2556 0.001117150 - 0.527002413
322 RY*(4)C12 2557 0.000536340 - 2.043143122
323 RY*(5)C12 2558 0.000509607 - 2.142499733
324 RY*(6)C12 2559 0.000429892 - 2.598377313
325 RY*(7)C12 2560 0.000230029 - 2.350631367
326 RY*(8)C12 2561 0.000119533 - 2.181378119
327 RY*(9)C12 2562 0.000068546 - 1.764958964
328 RY*(10)C12 2563 0.000056378 - 2.288350993
329 RY*(11)C12 2564 0.000040819 - 2.938891243
330 RY*(12)C12 2565 0.000038258 - 2.866036657
331 RY*(13)C12 2566 0.000040049 - 1.177830614
332 RY*(14)C12 2567 0.000017967 - 1.446729771
333 RY*(15)C12 2568 0.000003144 - 18.108441681
334 RY*(16)C12 2569 0.000009245 - 1.989389791
335 RY*(17)C12 2570 0.000004862 - 2.719906368
336 RY*(18)C12 2571 0.000007904 - 2.771133524
337 RY*(19)C12 2572 0.000004811 - 3.500636529
338 RY*(20)C12 2573 0.000007239 - 2.494698475
339 RY*(21)C12 2574 0.000005306 - 1.091441082
340 RY*(22)C12 2575 0.000001907 - 3.149633688
341 RY*(1)C13 2576 0.005893070 - 1.401222964
342 RY*(2)C13 2577 0.002389350 - 1.139694934
343 RY*(3)C13 2578 0.001052961 - 0.694087751
344 RY*(4)C13 2579 0.000774915 - 1.649195435
345 RY*(5)C13 2580 0.000592979 - 2.175953747
346 RY*(6)C13 2581 0.000475264 - 2.483935036
347 RY*(7)C13 2582 0.000306670 - 1.838390566
348 RY*(8)C13 2583 0.000192556 - 1.905824412
349 RY*(9)C13 2584 0.000125579 - 1.529660328
350 RY*(10)C13 2585 0.000078634 - 2.034978188
351 RY*(11)C13 2586 0.000058702 - 1.363138336
352 RY*(12)C13 2587 0.000047120 - 3.032961311
353 RY*(13)C13 2588 0.000029167 - 2.806818435
354 RY*(14)C13 2589 0.000022935 - 1.074799866
355 RY*(15)C13 2590 0.000024858 - 2.880751705
356 RY*(16)C13 2591 0.000026700 - 2.074343351
357 RY*(17)C13 2592 0.000025141 - 2.667824515
358 RY*(18)C13 2593 0.000004305 - 3.156086819
359 RY*(19)C13 2594 0.000008273 - 3.343792977
360 RY*(20)C13 2595 0.000004322 - 2.941045979
361 RY*(21)C13 2596 0.000001676 - 3.458562626
362 RY*(22)C13 2597 0.000002757 - 18.413300205
363 RY*(1)H14 2598 0.000856922 - 1.609816071
364 RY*(2)H14 2599 0.000251324 - 1.893973574
365 RY*(3)H14 2600 0.000142719 - 2.085370509
366 RY*(4)H14 2601 0.000043556 - 2.622134175
367 RY*(5)H14 2602 0.000052149 - 2.628775819
368 RY*(1)H15 2603 0.000641695 - 1.195072899
369 RY*(2)H15 2604 0.000226977 - 1.932475842
370 RY*(3)H15 2605 0.000165025 - 2.140283960
371 RY*(4)H15 2606 0.000046941 - 2.602405664
372 RY*(5)H15 2607 0.000039602 - 2.697415115
373 RY*(1)H16 2608 0.000834073 - 1.189293150
374 RY*(2)H16 2609 0.000258241 - 1.938823458
375 RY*(3)H16 2610 0.000154829 - 1.960372230
376 RY*(4)H16 2611 0.000042958 - 2.704244760
377 RY*(5)H16 2612 0.000049052 - 2.685102181
378 RY*(1)O17 2613 0.004518821 - 0.690501483
379 RY*(2)O17 2614 0.003915340 - 0.766023733
380 RY*(3)O17 2615 0.001190776 - 1.230110895
381 RY*(4)O17 2616 0.000772004 - 1.183974725
382 RY*(5)O17 2617 0.000482175 - 0.686253010
383 RY*(6)O17 2618 0.000265333 - 2.690979018
384 RY*(7)O17 2619 0.000209064 - 1.558221725
385 RY*(8)O17 2620 0.000193452 - 2.111197124
386 RY*(9)O17 2621 0.000091250 - 1.550757420
387 RY*(10)O17 2622 0.000037959 - 4.544465467
388 RY*(11)O17 2623 0.000040542 - 2.540651792
389 RY*(12)O17 2624 0.000018994 - 2.321416042
390 RY*(13)O17 2625 0.000002505 - 4.672687889
391 RY*(14)O17 2626 0.000001627 - 6.581775568
392 RY*(15)O17 2627 0.000010241 - 3.205120497
393 RY*(16)O17 2628 0.000001241 - 6.667246751
394 RY*(17)O17 2629 0.000010275 - 2.137832468
395 RY*(18)O17 2630 0.000001183 - 6.688882000
396 RY*(19)O17 2631 0.000001977 - 4.929460667
397 RY*(20)O17 2632 0.000001118 - 6.721785197
398 RY*(21)O17 2633 0.000000028 - 49.276420494
399 RY*(22)O17 2634 0.000001145 - 6.717927123
400 RY*(1)C18 2635 0.003040988 - 1.148435370
401 RY*(2)C18 2636 0.002543425 - 1.309924937
402 RY*(3)C18 2637 0.001560814 - 0.813017411
403 RY*(4)C18 2638 0.000354528 - 1.769165160
404 RY*(5)C18 2639 0.000317940 - 0.756952013
405 RY*(6)C18 2640 0.000157829 - 1.484098214
406 RY*(7)C18 2641 0.000097569 - 1.031553634
407 RY*(8)C18 2642 0.000035695 - 1.837931507
408 RY*(9)C18 2643 0.000007852 - 2.244243665
409 RY*(10)C18 2644 0.000004594 - 1.072959408
410 RY*(11)C18 2645 0.000010062 - 1.232921358
411 RY*(12)C18 2646 0.000003963 - 1.966561275
412 RY*(13)C18 2647 0.000004181 - 2.323245608
413 RY*(14)C18 2648 0.000003956 - 2.737232365
414 RY*(15)C18 2649 0.000002522 - 2.006714177
415 RY*(16)C18 2650 0.000011196 - 0.934468960
416 RY*(17)C18 2651 0.000000689 - 23.077028212
417 RY*(18)C18 2652 0.000001344 - 3.171474317
418 RY*(19)C18 2653 0.000000625 - 2.808371395
419 RY*(20)C18 2654 0.000002032 - 2.942485390
420 RY*(21)C18 2655 0.000001282 - 2.285268312
421 RY*(22)C18 2656 0.000001847 - 2.515829647
422 RY*(1)H19 2657 0.000363110 - 0.528154393
423 RY*(2)H19 2658 0.000153837 - 2.155397112
424 RY*(3)H19 2659 0.000132537 - 1.792000469
425 RY*(4)H19 2660 0.000059182 - 2.166946911
426 RY*(5)H19 2661 0.000017284 - 2.524013768
427 RY*(1)H20 2662 0.001675972 - 0.555230274
428 RY*(2)H20 2663 0.000216354 - 2.074987954
429 RY*(3)H20 2664 0.000106399 - 1.943405031
430 RY*(4)H20 2665 0.000088363 - 2.131872184
431 RY*(5)H20 2666 0.000027363 - 2.584584274
432 RY*(1)H21 2667 0.001671071 - 0.556962858
433 RY*(2)H21 2668 0.000216452 - 2.071906847
434 RY*(3)H21 2669 0.000099438 - 2.027754215
435 RY*(4)H21 2670 0.000093545 - 2.053606783
436 RY*(5)H21 2671 0.000027475 - 2.584424068
437 RY*(1)O22 2672 0.002849071 - 0.623748702
438 RY*(2)O22 2673 0.001409459 - 1.093847282
439 RY*(3)O22 2674 0.000379917 - 0.883681668
440 RY*(4)O22 2675 0.000228890 - 1.883993073
441 RY*(5)O22 2676 0.000151266 - 2.687072877
442 RY*(6)O22 2677 0.000106630 - 1.494646726
443 RY*(7)O22 2678 0.000071474 - 1.764111876
444 RY*(8)O22 2679 0.000078798 - 2.363379317
445 RY*(9)O22 2680 0.000035203 - 1.404386788
446 RY*(10)O22 2681 0.000037975 - 1.816661008
447 RY*(11)O22 2682 0.000023562 - 1.684873457
448 RY*(12)O22 2683 0.000007059 - 4.879048450
449 RY*(13)O22 2684 0.000009333 - 1.684610684
450 RY*(14)O22 2685 0.000002011 - 6.763356456
451 RY*(15)O22 2686 0.000010363 - 1.636093792
452 RY*(16)O22 2687 0.000001278 - 6.462171485
453 RY*(17)O22 2688 0.000005622 - 5.114350379
454 RY*(18)O22 2689 0.000001112 - 6.805159629
455 RY*(19)O22 2690 0.000004925 - 4.750172783
456 RY*(20)O22 2691 0.000001212 - 6.445719421
457 RY*(21)O22 2692 0.000000045 - 49.678159267
458 RY*(22)O22 2693 0.000002525 - 6.686936828
459 RY*(1)H23 2694 0.001227148 - 2.006844250
460 RY*(2)H23 2695 0.000781078 - 1.941385177
461 RY*(3)H23 2696 0.000347217 - 2.155986063
462 RY*(4)H23 2697 0.000114956 - 2.204251342
463 RY*(5)H23 2698 0.000018315 - 1.985614105
464 RY*(1)H24 2699 0.000757584 - 1.297301551
465 RY*(2)H24 2700 0.000194433 - 2.013004354
466 RY*(3)H24 2701 0.000142420 - 2.319097411
467 RY*(4)H24 2702 0.000058816 - 2.362514275
468 RY*(5)H24 2703 0.000060201 - 2.795083562
469 RY*(1)H25 2704 0.001143692 - 1.548306049
470 RY*(2)H25 2705 0.000209992 - 1.738816204
471 RY*(3)H25 2706 0.000108692 - 2.162200749
472 RY*(4)H25 2707 0.000069088 - 2.432287495
473 RY*(5)H25 2708 0.000040672 - 2.786176866
474 RY*(1)C26 2709 0.015316733 - 1.126269760
475 RY*(2)C26 2710 0.005173337 - 1.791889785
476 RY*(3)C26 2711 0.003072433 - 2.292475759
477 RY*(4)C26 2712 0.001991404 - 2.070561947
478 RY*(5)C26 2713 0.001264104 - 1.017275467
479 RY*(6)C26 2714 0.000812255 - 1.788437676
480 RY*(7)C26 2715 0.000437661 - 2.314151867
481 RY*(8)C26 2716 0.000241518 - 1.994778208
482 RY*(9)C26 2717 0.000196722 - 1.977544708
483 RY*(10)C26 2718 0.000077797 - 8.146394442
484 RY*(11)C26 2719 0.000039240 - 2.871958984
485 RY*(12)C26 2720 0.000035107 - 6.278289204
486 RY*(13)C26 2721 0.000036983 - 1.254973156
487 RY*(14)C26 2722 0.000019971 - 2.413222276
488 RY*(15)C26 2723 0.000004416 - 8.891289127
489 RY*(16)C26 2724 0.000009788 - 3.794218089
490 RY*(17)C26 2725 0.000008117 - 1.471020717
491 RY*(18)C26 2726 0.000002197 - 3.185884218
492 RY*(19)C26 2727 0.000008191 - 2.598580720
493 RY*(20)C26 2728 0.000004953 - 3.104524870
494 RY*(21)C26 2729 0.000001567 - 3.784120546
495 RY*(22)C26 2730 0.000004811 - 2.830782270
496 RY*(1)O27 2731 0.002821144 - 1.025614103
497 RY*(2)O27 2732 0.001695876 - 0.739822311
498 RY*(3)O27 2733 0.000483722 - 0.670344869
499 RY*(4)O27 2734 0.000233630 - 1.953760288
500 RY*(5)O27 2735 0.000095276 - 2.724617391
501 RY*(6)O27 2736 0.000081844 - 1.855117275
502 RY*(7)O27 2737 0.000087790 - 1.891205098
503 RY*(8)O27 2738 0.000024465 - 1.474488618
504 RY*(9)O27 2739 0.000029634 - 1.362432345
505 RY*(10)O27 2740 0.000027847 - 2.273060124
506 RY*(11)O27 2741 0.000031684 - 2.143545318
507 RY*(12)O27 2742 0.000027012 - 1.472558585
508 RY*(13)O27 2743 0.000003262 - 4.176460734
509 RY*(14)O27 2744 0.000000255 - 6.749182954
510 RY*(15)O27 2745 0.000000061 - 49.585728815
511 RY*(16)O27 2746 0.000000248 - 6.619604638
512 RY*(17)O27 2747 0.000003055 - 1.618181230
513 RY*(18)O27 2748 0.000000452 - 6.664839160
514 RY*(19)O27 2749 0.000001611 - 4.877033716
515 RY*(20)O27 2750 0.000001996 - 6.525935294
516 RY*(21)O27 2751 0.000000543 - 5.028699298
517 RY*(22)O27 2752 0.000000325 - 6.755561028
518 RY*(1)C28 2753 0.001877684 - 0.829665189
519 RY*(2)C28 2754 0.000935529 - 1.023721973
520 RY*(3)C28 2755 0.000601700 - 1.066388506
521 RY*(4)C28 2756 0.000459791 - 0.868528835
522 RY*(5)C28 2757 0.000257167 - 1.469775141
523 RY*(6)C28 2758 0.000206180 - 1.451360503
524 RY*(7)C28 2759 0.000083879 - 1.068453506
525 RY*(8)C28 2760 0.000092726 - 2.395928543
526 RY*(9)C28 2761 0.000060369 - 0.732284434
527 RY*(10)C28 2762 0.000033591 - 1.680118818
528 RY*(11)C28 2763 0.000026279 - 1.145113525
529 RY*(12)C28 2764 0.000005392 - 2.538144082
530 RY*(13)C28 2765 0.000010862 - 1.410501889
531 RY*(14)C28 2766 0.000012035 - 1.162556694
532 RY*(15)C28 2767 0.000000121 - 22.492097037
533 RY*(16)C28 2768 0.000005362 - 3.250719207
534 RY*(17)C28 2769 0.000007384 - 2.574420588
535 RY*(18)C28 2770 0.000000915 - 3.378616134
536 RY*(19)C28 2771 0.000001409 - 3.403082135
537 RY*(20)C28 2772 0.000001556 - 3.418847519
538 RY*(21)C28 2773 0.000008930 - 0.985800137
539 RY*(22)C28 2774 0.000005389 - 2.826926314
540 RY*(1)H29 2775 0.000732768 - 1.117913604
541 RY*(2)H29 2776 0.000208875 - 1.940884591
542 RY*(3)H29 2777 0.000093344 - 2.040121298
543 RY*(4)H29 2778 0.000079996 - 1.905217901
544 RY*(5)H29 2779 0.000034307 - 2.734921608
545 RY*(1)H30 2780 0.000791084 - 0.980742487
546 RY*(2)H30 2781 0.000187082 - 2.053604374
547 RY*(3)H30 2782 0.000107668 - 2.029505116
548 RY*(4)H30 2783 0.000098916 - 1.959336134
549 RY*(5)H30 2784 0.000031714 - 2.701567810
550 RY*(1)H31 2785 0.000991211 - 1.028713975
551 RY*(2)H31 2786 0.000134586 - 2.188416802
552 RY*(3)H31 2787 0.000102912 - 1.983239122
553 RY*(4)H31 2788 0.000097008 - 2.014829378
554 RY*(5)H31 2789 0.000027491 - 2.485503540
555 RY*(1)C32 2790 0.005809242 - 1.358424280
556 RY*(2)C32 2791 0.002107031 - 1.338845236
557 RY*(3)C32 2792 0.001294775 - 0.760610680
558 RY*(4)C32 2793 0.000734857 - 1.994273071
559 RY*(5)C32 2794 0.000503134 - 1.851781851
560 RY*(6)C32 2795 0.000407992 - 1.720325286
561 RY*(7)C32 2796 0.000269670 - 2.015450558
562 RY*(8)C32 2797 0.000170319 - 2.421649197
563 RY*(9)C32 2798 0.000100438 - 2.016480160
564 RY*(10)C32 2799 0.000085331 - 1.739615046
565 RY*(11)C32 2800 0.000050264 - 3.558171199
566 RY*(12)C32 2801 0.000053091 - 3.018116771
567 RY*(13)C32 2802 0.000037614 - 1.529199744
568 RY*(14)C32 2803 0.000026010 - 1.444152350
569 RY*(15)C32 2804 0.000026515 - 2.952010673
570 RY*(16)C32 2805 0.000013063 - 2.567434578
571 RY*(17)C32 2806 0.000007376 - 3.015486265
572 RY*(18)C32 2807 0.000008009 - 1.530504259
573 RY*(19)C32 2808 0.000005069 - 2.807071624
574 RY*(20)C32 2809 0.000002527 - 17.902006660
575 RY*(21)C32 2810 0.000002233 - 3.335211958
576 RY*(22)C32 2811 0.000005498 - 2.820217786
577 RY*(1)C33 2812 0.005965650 - 1.305936209
578 RY*(2)C33 2813 0.002132616 - 1.127044695
579 RY*(3)C33 2814 0.001064567 - 0.450392260
580 RY*(4)C33 2815 0.000746394 - 2.181366811
581 RY*(5)C33 2816 0.000402239 - 2.481241200
582 RY*(6)C33 2817 0.000376087 - 1.338408648
583 RY*(7)C33 2818 0.000254478 - 3.081020683
584 RY*(8)C33 2819 0.000130858 - 2.600197121
585 RY*(9)C33 2820 0.000093768 - 1.458504847
586 RY*(10)C33 2821 0.000086846 - 0.984378350
587 RY*(11)C33 2822 0.000072638 - 1.412073217
588 RY*(12)C33 2823 0.000043623 - 1.359530870
589 RY*(13)C33 2824 0.000037257 - 3.187187583
590 RY*(14)C33 2825 0.000012284 - 2.386460923
591 RY*(15)C33 2826 0.000008212 - 2.896236849
592 RY*(16)C33 2827 0.000006498 - 2.662123809
593 RY*(17)C33 2828 0.000007728 - 2.928114036
594 RY*(18)C33 2829 0.000015809 - 2.523671514
595 RY*(19)C33 2830 0.000012555 - 1.159486504
596 RY*(20)C33 2831 0.000001896 - 3.050588915
597 RY*(21)C33 2832 0.000004362 - 3.223144015
598 RY*(22)C33 2833 0.000007441 - 19.211048897
599 RY*(1)H34 2834 0.000716173 - 1.295545892
600 RY*(2)H34 2835 0.000206336 - 1.938567437
601 RY*(3)H34 2836 0.000173373 - 2.006813891
602 RY*(4)H34 2837 0.000050659 - 2.635705645
603 RY*(5)H34 2838 0.000037622 - 2.659237386
604 RY*(1)H35 2839 0.000632108 - 1.542192379
605 RY*(2)H35 2840 0.000205943 - 1.971485141
606 RY*(3)H35 2841 0.000157493 - 1.774400832
607 RY*(4)H35 2842 0.000065728 - 2.803088690
608 RY*(5)H35 2843 0.000038475 - 2.647511103
609 RY*(1)H36 2844 0.000675615 - 1.639264856
610 RY*(2)H36 2845 0.000202117 - 1.984965191
611 RY*(3)H36 2846 0.000147936 - 1.844294828
612 RY*(4)H36 2847 0.000066280 - 2.751937238
613 RY*(5)H36 2848 0.000035993 - 2.650293003
614 RY*(1)H37 2849 0.000656014 - 1.306300910
615 RY*(2)H37 2850 0.000209312 - 1.940494971
616 RY*(3)H37 2851 0.000161563 - 2.029504711
617 RY*(4)H37 2852 0.000051194 - 2.602960823
618 RY*(5)H37 2853 0.000046793 - 2.687998754
619 RY*(1)H38 2854 0.000793403 - 0.870543513
620 RY*(2)H38 2855 0.000109368 - 2.075693829
621 RY*(3)H38 2856 0.000100770 - 1.978763618
622 RY*(4)H38 2857 0.000069684 - 2.289539297
623 RY*(5)H38 2858 0.000024473 - 2.477271902
624 RY*(1)H39 2859 0.000798967 - 0.752381525
625 RY*(2)H39 2860 0.000143883 - 2.025384698
626 RY*(3)H39 2861 0.000097052 - 1.981453957
627 RY*(4)H39 2862 0.000062844 - 2.258005807
628 RY*(5)H39 2863 0.000036986 - 2.701992888
629 RY*(1)H40 2864 0.000793443 - 0.729590608
630 RY*(2)H40 2865 0.000148310 - 2.021545555
631 RY*(3)H40 2866 0.000097917 - 1.971818265
632 RY*(4)H40 2867 0.000059667 - 2.172983171
633 RY*(5)H40 2868 0.000041446 - 2.789235201
634 BD*(1)C1-C2 0.016090454 - 0.409934168
635 BD*(1)C1-H38 0.004197742 - 0.392875146
636 BD*(1)C1-H39 0.007947398 - 0.388314047
637 BD*(1)C1-H40 0.009432825 - 0.386657643
638 BD*(1)C2-C3 0.024351488 - 0.569234528
639 BD*(1)C2-C33 0.023594091 - 0.574104202
640 BD*(2)C2-C33 0.341487151 - 0.032481741
641 BD*(1)C3-C4 0.014364750 - 0.573594590
642 BD*(2)C3-C4 0.319827973 - 0.028581337
643 BD*(1)C3-H37 0.014580561 - 0.426185370
644 BD*(1)C4-C5 0.029210777 - 0.566385918
645 BD*(1)C4-H36 0.013442867 - 0.435126785
646 BD*(1)C5-N6 0.038888937 - 0.401098668
647 BD*(1)C5-C32 0.028884881 - 0.569375710
648 BD*(2)C5-C32 0.359679574 - 0.027554674
649 BD*(1)N6-C7 0.038963080 - 0.330079021
650 BD*(1)N6-C26 0.085935845 - 0.462763834
651 BD*(1)C7-C8 0.027661542 - 0.415547094
652 BD*(1)C7-H24 0.012828265 - 0.414279118
653 BD*(1)C7-H25 0.015737629 - 0.418032060
654 BD*(1)C8-C9 0.028395205 - 0.581367309
655 BD*(2)C8-C9 0.383343101 - 0.036235350
656 BD*(1)C8-C13 0.020639142 - 0.578852693
657 BD*(1)C9-C10 0.035105855 - 0.542304084
658 BD*(1)C9-O22 0.020413374 - 0.346197380
659 BD*(1)C10-C11 0.025336317 - 0.569959162
660 BD*(2)C10-C11 0.396098557 - 0.023819325
661 BD*(1)C10-O17 0.029262070 - 0.337949774
662 BD*(1)C11-C12 0.014900739 - 0.571543727
663 BD*(1)C11-H16 0.013969392 - 0.432029045
664 BD*(1)C12-C13 0.014630294 - 0.596300096
665 BD*(2)C12-C13 0.326730534 - 0.042291719
666 BD*(1)C12-H15 0.013728536 - 0.441925975
667 BD*(1)C13-H14 0.014208523 - 0.461400418
668 BD*(1)O17-C18 0.009685652 - 0.275165416
669 BD*(1)C18-H19 0.008791149 - 0.377575578
670 BD*(1)C18-H20 0.018578050 - 0.362368000
671 BD*(1)C18-H21 0.018772918 - 0.361766246
672 BD*(1)O22-H23 0.013129735 - 0.412391110
673 BD*(1)C26-O27 0.013654292 - 0.612406610
674 BD*(2)C26-O27 0.296044524 - 0.022079488
675 BD*(1)C26-C28 0.052911689 - 0.384829141
676 BD*(1)C28-H29 0.006277096 - 0.402301202
677 BD*(1)C28-H30 0.005829851 - 0.395523175
678 BD*(1)C28-H31 0.003663257 - 0.414759926
679 BD*(1)C32-C33 0.014468499 - 0.569220066
680 BD*(1)C32-H35 0.013418466 - 0.429878690
681 BD*(1)C33-H34 0.014633392 - 0.428180153

Quote

KNOWLEDGE IS EXPERIMENT'S DAUGHTER. -- LEONARDO DA VINCI, IN "PENSIERI" CA. 1492