WebMO Job Summary

385351: C17H18O2 5-hydroxy-5,5-diphenylpentan-2-one conformer 3, 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)
Method B3LYP
Stoichiometry C17H18O2
Symmetry C1
Basis 6-311+G(2d,p)
RB3LYP Energy -809.336676614 Hartree
Dipole Moment 1.5659 Debye
Server class (386934)
CPU time 3281.4 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 0.4343789 0.01448932048
b 0.2911448 0.00971154518
c 0.2060126 0.00687184065

Partial Charges

Atom Symbol Charge
1 C 1.069239  
2 C -0.345050  
3 C -0.525353  
4 C 0.372461  
5 C -0.593644  
6 H 0.144094  
7 H 0.141136  
8 H 0.131873  
9 O -0.440751  
10 H 0.142487  
11 H 0.154644  
12 H 0.145709  
13 H 0.126317  
14 C 0.720764  
15 C -0.331605  
16 C -0.259703  
17 C -0.134779  
18 C -0.396019  
19 C -0.335368  
20 H 0.109612  
21 H 0.084983  
22 H 0.084927  
23 H 0.085372  
24 H 0.109141  
25 C 0.740866  
26 C 0.096958  
27 C -0.140609  
28 C -0.105233  
29 C -0.272529  
30 C -0.871852  
31 H 0.100209  
32 H 0.083350  
33 H 0.082854  
34 H 0.083265  
35 H 0.119831  
36 O -0.416655  
37 H 0.239060  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -19.13434
2 - 2 - -19.11487
3 - 2 - -10.26332
4 - 2 - -10.25035
5 - 2 - -10.18895
6 - 2 - -10.18605
7 - 2 - -10.18008
8 - 2 - -10.17948
9 - 2 - -10.17912
10 - 2 - -10.17858
11 - 2 - -10.17846
12 - 2 - -10.17718
13 - 2 - -10.17704
14 - 2 - -10.17612
15 - 2 - -10.17591
16 - 2 - -10.1757
17 - 2 - -10.17557
18 - 2 - -10.17497
19 - 2 - -10.17211
20 - 2 - -1.04918
21 - 2 - -1.03897
22 - 2 - -0.87137
23 - 2 - -0.86164
24 - 2 - -0.81166
25 - 2 - -0.77963
26 - 2 - -0.7563
27 - 2 - -0.75289
28 - 2 - -0.75069
29 - 2 - -0.74389
30 - 2 - -0.68946
31 - 2 - -0.64071
32 - 2 - -0.61683
33 - 2 - -0.60834
34 - 2 - -0.60599
35 - 2 - -0.57608
36 - 2 - -0.54431
37 - 2 - -0.52464
38 - 2 - -0.52322
39 - 2 - -0.50138
40 - 2 - -0.48312
41 - 2 - -0.48137
42 - 2 - -0.46543
43 - 2 - -0.4605
44 - 2 - -0.45296
45 - 2 - -0.4513
46 - 2 - -0.44443
47 - 2 - -0.43822
48 - 2 - -0.42893
49 - 2 - -0.42795
50 - 2 - -0.42499
51 - 2 - -0.42112
52 - 2 - -0.39535
53 - 2 - -0.38035
54 - 2 - -0.37926
55 - 2 - -0.37071
56 - 2 - -0.36921
57 - 2 - -0.36768
58 - 2 - -0.35873
59 - 2 - -0.3534
60 - 2 - -0.35014
61 - 2 - -0.34478
62 - 2 - -0.32643
63 - 2 - -0.30008
64 - 2 - -0.26397
65 - 2 - -0.26241
66 - 2 - -0.25988
67 - 2 - -0.25574
68 - 2 - -0.24729
69 - 0 - -0.02843
70 - 0 - -0.02377
71 - 0 - -0.0228
72 - 0 - -0.01791
73 - 0 - -0.01038
74 - 0 - -0.00551
75 - 0 - 0.00526
76 - 0 - 0.00881
77 - 0 - 0.01485
78 - 0 - 0.01751
79 - 0 - 0.02811
80 - 0 - 0.03274
81 - 0 - 0.03728
82 - 0 - 0.04024
83 - 0 - 0.04575
84 - 0 - 0.04741
85 - 0 - 0.05248
86 - 0 - 0.0546
87 - 0 - 0.06261
88 - 0 - 0.06697
89 - 0 - 0.07002
90 - 0 - 0.07388
91 - 0 - 0.0742
92 - 0 - 0.08431
93 - 0 - 0.0885
94 - 0 - 0.09429
95 - 0 - 0.095
96 - 0 - 0.10012
97 - 0 - 0.10426
98 - 0 - 0.10589
99 - 0 - 0.1104
100 - 0 - 0.11336
101 - 0 - 0.11905
102 - 0 - 0.11918
103 - 0 - 0.12641
104 - 0 - 0.1294
105 - 0 - 0.13696
106 - 0 - 0.14033
107 - 0 - 0.14354
108 - 0 - 0.14437
109 - 0 - 0.14765
110 - 0 - 0.15093
111 - 0 - 0.15398
112 - 0 - 0.15598
113 - 0 - 0.1598
114 - 0 - 0.16136
115 - 0 - 0.16548
116 - 0 - 0.1671
117 - 0 - 0.17234
118 - 0 - 0.17904
119 - 0 - 0.17984
120 - 0 - 0.18321
121 - 0 - 0.18561
122 - 0 - 0.189
123 - 0 - 0.19014
124 - 0 - 0.19458
125 - 0 - 0.19638
126 - 0 - 0.20013
127 - 0 - 0.20351
128 - 0 - 0.2045
129 - 0 - 0.20884
130 - 0 - 0.20975
131 - 0 - 0.21294
132 - 0 - 0.21591
133 - 0 - 0.22061
134 - 0 - 0.22275
135 - 0 - 0.22609
136 - 0 - 0.22778
137 - 0 - 0.23141
138 - 0 - 0.233
139 - 0 - 0.23438
140 - 0 - 0.23611
141 - 0 - 0.24087
142 - 0 - 0.24394
143 - 0 - 0.2516
144 - 0 - 0.25778
145 - 0 - 0.25971
146 - 0 - 0.26167
147 - 0 - 0.26396
148 - 0 - 0.26607
149 - 0 - 0.26723
150 - 0 - 0.27027
151 - 0 - 0.27527
152 - 0 - 0.28061
153 - 0 - 0.28267
154 - 0 - 0.28984
155 - 0 - 0.29441
156 - 0 - 0.30217
157 - 0 - 0.30371
158 - 0 - 0.30639
159 - 0 - 0.31218
160 - 0 - 0.31817
161 - 0 - 0.32013
162 - 0 - 0.32366
163 - 0 - 0.32522
164 - 0 - 0.32958
165 - 0 - 0.33529
166 - 0 - 0.33872
167 - 0 - 0.34077
168 - 0 - 0.34782
169 - 0 - 0.35744
170 - 0 - 0.36498
171 - 0 - 0.36768
172 - 0 - 0.3723
173 - 0 - 0.37948
174 - 0 - 0.38845
175 - 0 - 0.39032
176 - 0 - 0.39871
177 - 0 - 0.41436
178 - 0 - 0.41872
179 - 0 - 0.43117
180 - 0 - 0.43932
181 - 0 - 0.44388
182 - 0 - 0.44933
183 - 0 - 0.45759
184 - 0 - 0.46391
185 - 0 - 0.47394
186 - 0 - 0.4778
187 - 0 - 0.4917
188 - 0 - 0.50149
189 - 0 - 0.50673
190 - 0 - 0.50776
191 - 0 - 0.51196
192 - 0 - 0.51378
193 - 0 - 0.51689
194 - 0 - 0.52011
195 - 0 - 0.52497
196 - 0 - 0.53136
197 - 0 - 0.5367
198 - 0 - 0.5383
199 - 0 - 0.54573
200 - 0 - 0.54694
201 - 0 - 0.55662
202 - 0 - 0.56033
203 - 0 - 0.56722
204 - 0 - 0.57425
205 - 0 - 0.57635
206 - 0 - 0.5871
207 - 0 - 0.58966
208 - 0 - 0.5975
209 - 0 - 0.60059
210 - 0 - 0.60495
211 - 0 - 0.61117
212 - 0 - 0.61617
213 - 0 - 0.6207
214 - 0 - 0.62742
215 - 0 - 0.63086
216 - 0 - 0.63541
217 - 0 - 0.64306
218 - 0 - 0.64513
219 - 0 - 0.646
220 - 0 - 0.65022
221 - 0 - 0.65107
222 - 0 - 0.65679
223 - 0 - 0.66272
224 - 0 - 0.66543
225 - 0 - 0.66981
226 - 0 - 0.67188
227 - 0 - 0.67281
228 - 0 - 0.68456
229 - 0 - 0.69127
230 - 0 - 0.69748
231 - 0 - 0.7008
232 - 0 - 0.70845
233 - 0 - 0.7095
234 - 0 - 0.71717
235 - 0 - 0.71985
236 - 0 - 0.72144
237 - 0 - 0.7267
238 - 0 - 0.73288
239 - 0 - 0.73576
240 - 0 - 0.74482
241 - 0 - 0.74862
242 - 0 - 0.75546
243 - 0 - 0.76472
244 - 0 - 0.76562
245 - 0 - 0.76758
246 - 0 - 0.77448
247 - 0 - 0.7807
248 - 0 - 0.78838
249 - 0 - 0.79132
250 - 0 - 0.79524
251 - 0 - 0.80191
252 - 0 - 0.80598
253 - 0 - 0.8096
254 - 0 - 0.81305
255 - 0 - 0.81444
256 - 0 - 0.81654
257 - 0 - 0.82358
258 - 0 - 0.82803
259 - 0 - 0.83485
260 - 0 - 0.83878
261 - 0 - 0.84348
262 - 0 - 0.85301
263 - 0 - 0.85654
264 - 0 - 0.86225
265 - 0 - 0.86549
266 - 0 - 0.8816
267 - 0 - 0.88439
268 - 0 - 0.88741
269 - 0 - 0.90508
270 - 0 - 0.92257
271 - 0 - 0.93013
272 - 0 - 0.94331
273 - 0 - 0.9558
274 - 0 - 0.96294
275 - 0 - 0.979
276 - 0 - 0.98694
277 - 0 - 0.99752
278 - 0 - 1.00228
279 - 0 - 1.0109
280 - 0 - 1.01975
281 - 0 - 1.02752
282 - 0 - 1.03162
283 - 0 - 1.04089
284 - 0 - 1.05098
285 - 0 - 1.05935
286 - 0 - 1.07559
287 - 0 - 1.0818
288 - 0 - 1.09218
289 - 0 - 1.0999
290 - 0 - 1.1093
291 - 0 - 1.11787
292 - 0 - 1.12314
293 - 0 - 1.13211
294 - 0 - 1.14232
295 - 0 - 1.15376
296 - 0 - 1.16415
297 - 0 - 1.17646
298 - 0 - 1.18004
299 - 0 - 1.19029
300 - 0 - 1.20062
301 - 0 - 1.20907
302 - 0 - 1.22315
303 - 0 - 1.22385
304 - 0 - 1.23427
305 - 0 - 1.24104
306 - 0 - 1.24266
307 - 0 - 1.25108
308 - 0 - 1.25807
309 - 0 - 1.26581
310 - 0 - 1.27053
311 - 0 - 1.27769
312 - 0 - 1.28183
313 - 0 - 1.29008
314 - 0 - 1.2975
315 - 0 - 1.30723
316 - 0 - 1.31334
317 - 0 - 1.32233
318 - 0 - 1.32375
319 - 0 - 1.3413
320 - 0 - 1.3491
321 - 0 - 1.35272
322 - 0 - 1.35714
323 - 0 - 1.36314
324 - 0 - 1.36698
325 - 0 - 1.37052
326 - 0 - 1.37438
327 - 0 - 1.38041
328 - 0 - 1.3919
329 - 0 - 1.40551
330 - 0 - 1.41585
331 - 0 - 1.42744
332 - 0 - 1.43995
333 - 0 - 1.44176
334 - 0 - 1.45518
335 - 0 - 1.46582
336 - 0 - 1.48045
337 - 0 - 1.48659
338 - 0 - 1.49609
339 - 0 - 1.50143
340 - 0 - 1.51361
341 - 0 - 1.53496
342 - 0 - 1.5436
343 - 0 - 1.54924
344 - 0 - 1.55866
345 - 0 - 1.5641
346 - 0 - 1.57103
347 - 0 - 1.57993
348 - 0 - 1.58516
349 - 0 - 1.59586
350 - 0 - 1.60853
351 - 0 - 1.61988
352 - 0 - 1.62573
353 - 0 - 1.63095
354 - 0 - 1.65016
355 - 0 - 1.65179
356 - 0 - 1.65439
357 - 0 - 1.67598
358 - 0 - 1.6815
359 - 0 - 1.69477
360 - 0 - 1.70164
361 - 0 - 1.71794
362 - 0 - 1.72895
363 - 0 - 1.78043
364 - 0 - 1.78228
365 - 0 - 1.7902
366 - 0 - 1.79779
367 - 0 - 1.80194
368 - 0 - 1.80558
369 - 0 - 1.81795
370 - 0 - 1.82955
371 - 0 - 1.84256
372 - 0 - 1.85936
373 - 0 - 1.87294
374 - 0 - 1.91515
375 - 0 - 1.92125
376 - 0 - 1.92552
377 - 0 - 1.95107
378 - 0 - 1.95676
379 - 0 - 1.97537
380 - 0 - 1.98669
381 - 0 - 2.00335
382 - 0 - 2.00966
383 - 0 - 2.01607
384 - 0 - 2.02533
385 - 0 - 2.06492
386 - 0 - 2.11883
387 - 0 - 2.12926
388 - 0 - 2.15715
389 - 0 - 2.16718
390 - 0 - 2.172
391 - 0 - 2.1967
392 - 0 - 2.20337
393 - 0 - 2.2184
394 - 0 - 2.23859
395 - 0 - 2.24492
396 - 0 - 2.25524
397 - 0 - 2.26107
398 - 0 - 2.28107
399 - 0 - 2.30831
400 - 0 - 2.31907
401 - 0 - 2.33453
402 - 0 - 2.35108
403 - 0 - 2.3566
404 - 0 - 2.36318
405 - 0 - 2.36458
406 - 0 - 2.36646
407 - 0 - 2.39068
408 - 0 - 2.41922
409 - 0 - 2.43253
410 - 0 - 2.45482
411 - 0 - 2.46835
412 - 0 - 2.48226
413 - 0 - 2.5074
414 - 0 - 2.53162
415 - 0 - 2.56397
416 - 0 - 2.60048
417 - 0 - 2.61067
418 - 0 - 2.61698
419 - 0 - 2.62002
420 - 0 - 2.64752
421 - 0 - 2.66395
422 - 0 - 2.6681
423 - 0 - 2.67159
424 - 0 - 2.67933
425 - 0 - 2.68445
426 - 0 - 2.69543
427 - 0 - 2.72779
428 - 0 - 2.73441
429 - 0 - 2.74858
430 - 0 - 2.75442
431 - 0 - 2.75979
432 - 0 - 2.7645
433 - 0 - 2.77224
434 - 0 - 2.776
435 - 0 - 2.78842
436 - 0 - 2.82064
437 - 0 - 2.83326
438 - 0 - 2.84279
439 - 0 - 2.84617
440 - 0 - 2.84974
441 - 0 - 2.8582
442 - 0 - 2.85938
443 - 0 - 2.88446
444 - 0 - 2.89544
445 - 0 - 2.90915
446 - 0 - 2.91838
447 - 0 - 2.93768
448 - 0 - 2.94323
449 - 0 - 2.94991
450 - 0 - 2.96475
451 - 0 - 2.9797
452 - 0 - 2.988
453 - 0 - 2.99484
454 - 0 - 3.02228
455 - 0 - 3.03024
456 - 0 - 3.04755
457 - 0 - 3.06913
458 - 0 - 3.07588
459 - 0 - 3.08671
460 - 0 - 3.11503
461 - 0 - 3.12409
462 - 0 - 3.13713
463 - 0 - 3.14191
464 - 0 - 3.14712
465 - 0 - 3.15736
466 - 0 - 3.18042
467 - 0 - 3.18757
468 - 0 - 3.19733
469 - 0 - 3.21431
470 - 0 - 3.22275
471 - 0 - 3.22927
472 - 0 - 3.23969
473 - 0 - 3.25696
474 - 0 - 3.27562
475 - 0 - 3.28972
476 - 0 - 3.30109
477 - 0 - 3.30378
478 - 0 - 3.30587
479 - 0 - 3.31167
480 - 0 - 3.32507
481 - 0 - 3.33001
482 - 0 - 3.33352
483 - 0 - 3.3459
484 - 0 - 3.35364
485 - 0 - 3.35753
486 - 0 - 3.36066
487 - 0 - 3.36416
488 - 0 - 3.39226
489 - 0 - 3.40354
490 - 0 - 3.40749
491 - 0 - 3.41464
492 - 0 - 3.43492
493 - 0 - 3.44269
494 - 0 - 3.44851
495 - 0 - 3.45665
496 - 0 - 3.47562
497 - 0 - 3.47816
498 - 0 - 3.4936
499 - 0 - 3.50787
500 - 0 - 3.51486
501 - 0 - 3.52196
502 - 0 - 3.53233
503 - 0 - 3.53758
504 - 0 - 3.54759
505 - 0 - 3.55193
506 - 0 - 3.56194
507 - 0 - 3.58031
508 - 0 - 3.58468
509 - 0 - 3.58937
510 - 0 - 3.59452
511 - 0 - 3.60391
512 - 0 - 3.60456
513 - 0 - 3.6098
514 - 0 - 3.61248
515 - 0 - 3.63028
516 - 0 - 3.63552
517 - 0 - 3.6544
518 - 0 - 3.66095
519 - 0 - 3.67077
520 - 0 - 3.67785
521 - 0 - 3.69275
522 - 0 - 3.70719
523 - 0 - 3.72416
524 - 0 - 3.72949
525 - 0 - 3.73434
526 - 0 - 3.74555
527 - 0 - 3.75902
528 - 0 - 3.764
529 - 0 - 3.77068
530 - 0 - 3.77595
531 - 0 - 3.7825
532 - 0 - 3.79839
533 - 0 - 3.8089
534 - 0 - 3.82221
535 - 0 - 3.83069
536 - 0 - 3.83742
537 - 0 - 3.84805
538 - 0 - 3.85219
539 - 0 - 3.86056
540 - 0 - 3.88086
541 - 0 - 3.89494
542 - 0 - 3.90757
543 - 0 - 3.91738
544 - 0 - 3.92776
545 - 0 - 3.93412
546 - 0 - 3.93791
547 - 0 - 3.95155
548 - 0 - 3.95956
549 - 0 - 3.96566
550 - 0 - 3.97034
551 - 0 - 3.99362
552 - 0 - 3.99939
553 - 0 - 4.01938
554 - 0 - 4.05298
555 - 0 - 4.06976
556 - 0 - 4.09035
557 - 0 - 4.10931
558 - 0 - 4.15161
559 - 0 - 4.18428
560 - 0 - 4.19037
561 - 0 - 4.19904
562 - 0 - 4.24557
563 - 0 - 4.24937
564 - 0 - 4.27871
565 - 0 - 4.28025
566 - 0 - 4.3004
567 - 0 - 4.36935
568 - 0 - 4.43584
569 - 0 - 4.47709
570 - 0 - 4.54395
571 - 0 - 4.5472
572 - 0 - 4.55941
573 - 0 - 4.61014
574 - 0 - 4.63369
575 - 0 - 4.67014
576 - 0 - 4.68714
577 - 0 - 4.84316
578 - 0 - 4.84533
579 - 0 - 4.87977
580 - 0 - 4.94226
581 - 0 - 5.09832
582 - 0 - 5.22053
583 - 0 - 5.30177
584 - 0 - 5.30805
585 - 0 - 5.36083
586 - 0 - 5.56539
587 - 0 - 5.86318
588 - 0 - 6.00029
589 - 0 - 6.83499
590 - 0 - 6.88169
591 - 0 - 6.93891
592 - 0 - 7.07038
593 - 0 - 7.08492
594 - 0 - 7.11845
595 - 0 - 7.22739
596 - 0 - 7.23793
597 - 0 - 7.26534
598 - 0 - 7.41021
599 - 0 - 23.70591
600 - 0 - 23.72634
601 - 0 - 23.89439
602 - 0 - 23.9273
603 - 0 - 23.98484
604 - 0 - 24.00886
605 - 0 - 24.01379
606 - 0 - 24.03898
607 - 0 - 24.05459
608 - 0 - 24.08194
609 - 0 - 24.09279
610 - 0 - 24.12232
611 - 0 - 24.13885
612 - 0 - 24.14801
613 - 0 - 24.15396
614 - 0 - 24.19269
615 - 0 - 24.23276
616 - 0 - 50.00898
617 - 0 - 50.09391
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C 0.25691  
2 C -0.39768  
3 C -0.48114  
4 C 0.59475  
5 C -0.66562  
6 H 0.22335  
7 H 0.22261  
8 H 0.21621  
9 O -0.57439  
10 H 0.22775  
11 H 0.23502  
12 H 0.21627  
13 H 0.21233  
14 C -0.06043  
15 C -0.20774  
16 C -0.19504  
17 C -0.20138  
18 C -0.19619  
19 C -0.18834  
20 H 0.21910  
21 H 0.20608  
22 H 0.20590  
23 H 0.20618  
24 H 0.21277  
25 C -0.04492  
26 C -0.20487  
27 C -0.19428  
28 C -0.20863  
29 C -0.19528  
30 C -0.20459  
31 H 0.20778  
32 H 0.20536  
33 H 0.20487  
34 H 0.20441  
35 H 0.22783  
36 O -0.75804  
37 H 0.47310  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.998887884 - -10.115912712
2 C1 Val(2S) 0.873931150 - -0.191275874
3 C1 Ryd(4S) 0.002645741 - 3.190057678
4 C1 Ryd(3S) 0.001475405 - 1.388887527
5 C1 Ryd(5S) 0.000058530 - 19.028104106
6 C1 Val(2p) 1.047263310 - -0.100579013
7 C1 Ryd(3p) 0.003582031 - 0.908959309
8 C1 Ryd(4p) 0.001257614 - 1.623094040
9 C1 Ryd(5p) 0.000190413 - 1.693606016
10 C1 Val(2p) 1.058598548 - -0.100322720
11 C1 Ryd(3p) 0.004310790 - 0.880303863
12 C1 Ryd(4p) 0.001296263 - 1.565252649
13 C1 Ryd(5p) 0.000183235 - 1.732997285
14 C1 Val(2p) 0.732154841 - -0.084151188
15 C1 Ryd(3p) 0.009745023 - 0.903222011
16 C1 Ryd(4p) 0.000548400 - 1.252542865
17 C1 Ryd(5p) 0.000222875 - 2.281648843
18 C1 Ryd(3d) 0.000854204 - 2.002623307
19 C1 Ryd(4d) 0.000161054 - 3.291996137
20 C1 Ryd(3d) 0.001251319 - 2.014029764
21 C1 Ryd(4d) 0.000224836 - 3.114124311
22 C1 Ryd(3d) 0.000779610 - 2.097707633
23 C1 Ryd(4d) 0.000414558 - 3.267016096
24 C1 Ryd(3d) 0.000910068 - 2.096786933
25 C1 Ryd(4d) 0.000328912 - 3.554958875
26 C1 Ryd(3d) 0.001486675 - 2.359472573
27 C1 Ryd(4d) 0.000330111 - 3.438269205
28 C2 Cor(1S) 1.999197619 - -10.030316911
29 C2 Val(2S) 1.016438413 - -0.224949688
30 C2 Ryd(3S) 0.001902603 - 1.175914776
31 C2 Ryd(4S) 0.000061168 - 1.851193986
32 C2 Ryd(5S) 0.000006535 - 22.458271299
33 C2 Val(2p) 1.031650293 - -0.083802678
34 C2 Ryd(3p) 0.004257803 - 0.891945863
35 C2 Ryd(4p) 0.000084764 - 1.053665544
36 C2 Ryd(5p) 0.000127719 - 3.183152132
37 C2 Val(2p) 1.151822916 - -0.095062322
38 C2 Ryd(3p) 0.004319928 - 0.714363476
39 C2 Ryd(4p) 0.000230096 - 0.835158082
40 C2 Ryd(5p) 0.000095138 - 3.304395992
41 C2 Val(2p) 1.176636689 - -0.093761950
42 C2 Ryd(3p) 0.004547416 - 0.690361480
43 C2 Ryd(4p) 0.000157306 - 0.806681307
44 C2 Ryd(5p) 0.000050096 - 3.261094708
45 C2 Ryd(3d) 0.000869135 - 1.622725045
46 C2 Ryd(4d) 0.000180415 - 3.389424410
47 C2 Ryd(3d) 0.000590356 - 1.572528278
48 C2 Ryd(4d) 0.000275864 - 3.213446985
49 C2 Ryd(3d) 0.000990356 - 1.556989240
50 C2 Ryd(4d) 0.000191288 - 3.171864522
51 C2 Ryd(3d) 0.000845958 - 1.703787889
52 C2 Ryd(4d) 0.000239713 - 3.540635939
53 C2 Ryd(3d) 0.001774021 - 1.664970702
54 C2 Ryd(4d) 0.000133745 - 3.500253528
55 C3 Cor(1S) 1.999158901 - -10.036446628
56 C3 Val(2S) 1.040962223 - -0.237986230
57 C3 Ryd(3S) 0.001211197 - 1.200443360
58 C3 Ryd(4S) 0.000066776 - 1.619454049
59 C3 Ryd(5S) 0.000006070 - 22.629446957
60 C3 Val(2p) 1.062801469 - -0.095119610
61 C3 Ryd(4p) 0.002585484 - 0.783410278
62 C3 Ryd(3p) 0.000202375 - 0.666640484
63 C3 Ryd(5p) 0.000174467 - 3.301761682
64 C3 Val(2p) 1.166418977 - -0.105059784
65 C3 Ryd(3p) 0.002081736 - 0.679324805
66 C3 Ryd(4p) 0.000087945 - 0.686734396
67 C3 Ryd(5p) 0.000067272 - 3.234004922
68 C3 Val(2p) 1.196856540 - -0.105873502
69 C3 Ryd(4p) 0.001961897 - 0.668958409
70 C3 Ryd(3p) 0.000194782 - 0.497679909
71 C3 Ryd(5p) 0.000059420 - 3.234781422
72 C3 Ryd(3d) 0.001252801 - 1.675941834
73 C3 Ryd(4d) 0.000184115 - 3.396936462
74 C3 Ryd(3d) 0.000794434 - 1.508412320
75 C3 Ryd(4d) 0.000189890 - 3.176428954
76 C3 Ryd(3d) 0.000771225 - 1.551039838
77 C3 Ryd(4d) 0.000094303 - 3.206287001
78 C3 Ryd(3d) 0.001054709 - 1.598012958
79 C3 Ryd(4d) 0.000215964 - 3.449281519
80 C3 Ryd(3d) 0.001605216 - 1.607727258
81 C3 Ryd(4d) 0.000078973 - 3.417695662
82 C4 Cor(1S) 1.999394843 - -10.139412420
83 C4 Val(2S) 0.860477220 - -0.171617001
84 C4 Ryd(3S) 0.005062208 - 0.755451498
85 C4 Ryd(4S) 0.000151797 - 2.683297927
86 C4 Ryd(5S) 0.000023613 - 20.824590256
87 C4 Val(2p) 0.994345406 - -0.058272382
88 C4 Ryd(4p) 0.004262100 - 1.332456422
89 C4 Ryd(3p) 0.000526487 - 0.658254581
90 C4 Ryd(5p) 0.000127803 - 2.362473142
91 C4 Val(2p) 0.788099110 - -0.029714425
92 C4 Ryd(4p) 0.012571053 - 0.942665049
93 C4 Ryd(3p) 0.000506178 - 0.579670468
94 C4 Ryd(5p) 0.000098352 - 2.560344720
95 C4 Val(2p) 0.729265115 - -0.087443346
96 C4 Ryd(4p) 0.004737204 - 0.806079623
97 C4 Ryd(3p) 0.000380321 - 0.508649781
98 C4 Ryd(5p) 0.000125027 - 2.485145133
99 C4 Ryd(4d) 0.001498424 - 3.074733675
100 C4 Ryd(3d) 0.000023748 - 3.012118098
101 C4 Ryd(4d) 0.000735524 - 2.819085104
102 C4 Ryd(3d) 0.000024825 - 2.564985092
103 C4 Ryd(4d) 0.000716629 - 3.106703648
104 C4 Ryd(3d) 0.000103097 - 2.605904402
105 C4 Ryd(4d) 0.001171893 - 3.152616477
106 C4 Ryd(3d) 0.000027493 - 2.931465906
107 C4 Ryd(4d) 0.000726758 - 2.895568368
108 C4 Ryd(3d) 0.000068951 - 2.596470317
109 C5 Cor(1S) 1.999265990 - -10.035115793
110 C5 Val(2S) 1.115522211 - -0.271785827
111 C5 Ryd(3S) 0.000332390 - 0.622028098
112 C5 Ryd(4S) 0.000274252 - 1.058514885
113 C5 Ryd(5S) 0.000001345 - 23.333006358
114 C5 Val(2p) 1.120281612 - -0.114214927
115 C5 Ryd(4p) 0.001366739 - 0.640268937
116 C5 Ryd(3p) 0.000317253 - 0.286379546
117 C5 Ryd(5p) 0.000074247 - 2.873183291
118 C5 Val(2p) 1.214550377 - -0.110150829
119 C5 Ryd(4p) 0.001870382 - 0.644110730
120 C5 Ryd(3p) 0.000047962 - 0.342946780
121 C5 Ryd(5p) 0.000022628 - 3.013667964
122 C5 Val(2p) 1.204921645 - -0.111828228
123 C5 Ryd(4p) 0.000672635 - 0.600227035
124 C5 Ryd(3p) 0.000033469 - 0.294190866
125 C5 Ryd(5p) 0.000020903 - 2.984538856
126 C5 Ryd(3d) 0.000971206 - 1.659377724
127 C5 Ryd(4d) 0.000147981 - 3.074433995
128 C5 Ryd(3d) 0.000343402 - 1.409540877
129 C5 Ryd(4d) 0.000118196 - 2.854919576
130 C5 Ryd(3d) 0.001245846 - 1.607079684
131 C5 Ryd(4d) 0.000034664 - 3.071430122
132 C5 Ryd(3d) 0.001559797 - 1.684205395
133 C5 Ryd(4d) 0.000073692 - 3.111070980
134 C5 Ryd(3d) 0.001512848 - 1.683654011
135 C5 Ryd(4d) 0.000038746 - 3.116762129
136 H6 Val(1S) 0.774619322 - 0.035291389
137 H6 Ryd(2S) 0.001464063 - 0.889835267
138 H6 Ryd(3S) 0.000091099 - 1.880203508
139 H6 Ryd(2p) 0.000159681 - 2.394907114
140 H6 Ryd(2p) 0.000191361 - 2.403970191
141 H6 Ryd(2p) 0.000128713 - 1.967033314
142 H7 Val(1S) 0.776045819 - 0.015507124
143 H7 Ryd(2S) 0.000802301 - 0.615086288
144 H7 Ryd(3S) 0.000076088 - 2.184707029
145 H7 Ryd(2p) 0.000141450 - 2.020592347
146 H7 Ryd(2p) 0.000193335 - 2.508323777
147 H7 Ryd(2p) 0.000133838 - 2.159860037
148 H8 Val(1S) 0.782433542 - 0.015955504
149 H8 Ryd(2S) 0.000820743 - 0.585050368
150 H8 Ryd(3S) 0.000077034 - 2.203979403
151 H8 Ryd(2p) 0.000132680 - 2.012066233
152 H8 Ryd(2p) 0.000111369 - 1.974879006
153 H8 Ryd(2p) 0.000216216 - 2.731851573
154 O9 Cor(1S) 1.999744577 - -18.843788559
155 O9 Val(2S) 1.692665181 - -0.892530996
156 O9 Ryd(4S) 0.000751583 - 1.525501672
157 O9 Ryd(3S) 0.000115844 - 1.330368685
158 O9 Ryd(5S) 0.000000245 - 49.492071535
159 O9 Val(2p) 1.874690706 - -0.265783871
160 O9 Ryd(3p) 0.005302665 - 0.731408206
161 O9 Ryd(4p) 0.000073280 - 1.201174074
162 O9 Ryd(5p) 0.000008222 - 5.113309548
163 O9 Val(2p) 1.552657655 - -0.295177913
164 O9 Ryd(3p) 0.000814114 - 0.626039986
165 O9 Ryd(4p) 0.000077836 - 1.357301349
166 O9 Ryd(5p) 0.000051364 - 5.213876988
167 O9 Val(2p) 1.426835286 - -0.265405476
168 O9 Ryd(3p) 0.000826979 - 0.585653202
169 O9 Ryd(4p) 0.000048488 - 1.146253576
170 O9 Ryd(5p) 0.000026701 - 5.018399615
171 O9 Ryd(3d) 0.004225798 - 1.766604294
172 O9 Ryd(4d) 0.000058061 - 6.947391587
173 O9 Ryd(3d) 0.001554317 - 1.596569216
174 O9 Ryd(4d) 0.000022906 - 6.812346934
175 O9 Ryd(3d) 0.005887343 - 1.926541963
176 O9 Ryd(4d) 0.000018781 - 6.972902901
177 O9 Ryd(3d) 0.004641406 - 1.831980014
178 O9 Ryd(4d) 0.000019059 - 6.931425507
179 O9 Ryd(3d) 0.003262922 - 1.630731867
180 O9 Ryd(4d) 0.000010314 - 6.854946308
181 H10 Val(1S) 0.770717054 - 0.031355065
182 H10 Ryd(2S) 0.000879868 - 1.141815016
183 H10 Ryd(3S) 0.000133642 - 1.874297795
184 H10 Ryd(2p) 0.000176697 - 2.300978322
185 H10 Ryd(2p) 0.000222360 - 2.813710137
186 H10 Ryd(2p) 0.000116558 - 2.188459856
187 H11 Val(1S) 0.763054266 - 0.033870017
188 H11 Ryd(2S) 0.001092302 - 1.091082069
189 H11 Ryd(3S) 0.000273299 - 1.921459491
190 H11 Ryd(2p) 0.000188693 - 2.228122113
191 H11 Ryd(2p) 0.000128865 - 2.115487010
192 H11 Ryd(2p) 0.000242627 - 2.897948874
193 H12 Val(1S) 0.781799351 - 0.045115618
194 H12 Ryd(2S) 0.001110550 - 1.291455636
195 H12 Ryd(3S) 0.000292224 - 1.892986646
196 H12 Ryd(2p) 0.000170167 - 2.416942163
197 H12 Ryd(2p) 0.000246226 - 2.954428615
198 H12 Ryd(2p) 0.000114073 - 2.248121290
199 H13 Val(1S) 0.785310948 - 0.041337305
200 H13 Ryd(2S) 0.001611666 - 0.560692282
201 H13 Ryd(3S) 0.000241845 - 2.442558741
202 H13 Ryd(2p) 0.000163981 - 2.382179347
203 H13 Ryd(2p) 0.000133389 - 2.244243990
204 H13 Ryd(2p) 0.000213061 - 3.004795064
205 C14 Cor(1S) 1.998939162 - -10.038915331
206 C14 Val(2S) 0.882871360 - -0.141661760
207 C14 Ryd(4S) 0.001948473 - 1.762712345
208 C14 Ryd(3S) 0.001392033 - 1.491364241
209 C14 Ryd(5S) 0.000023754 - 21.231080647
210 C14 Val(2p) 1.053129740 - -0.058605062
211 C14 Ryd(4p) 0.006756709 - 1.140762670
212 C14 Ryd(3p) 0.001325266 - 0.817228259
213 C14 Ryd(5p) 0.000128047 - 3.561099429
214 C14 Val(2p) 1.047047788 - -0.084820678
215 C14 Ryd(4p) 0.004874467 - 0.900742016
216 C14 Ryd(3p) 0.000718251 - 0.669362942
217 C14 Ryd(5p) 0.000097432 - 3.400218900
218 C14 Val(2p) 1.051292458 - -0.091339326
219 C14 Ryd(4p) 0.003290439 - 0.813216024
220 C14 Ryd(3p) 0.000968063 - 0.629567392
221 C14 Ryd(5p) 0.000087762 - 3.377020242
222 C14 Ryd(3d) 0.000609763 - 1.810190920
223 C14 Ryd(4d) 0.000516408 - 3.622235426
224 C14 Ryd(3d) 0.000662955 - 1.768618434
225 C14 Ryd(4d) 0.000487099 - 3.594569158
226 C14 Ryd(3d) 0.001084903 - 2.152794215
227 C14 Ryd(4d) 0.000223899 - 3.553624452
228 C14 Ryd(3d) 0.000667074 - 1.832837061
229 C14 Ryd(4d) 0.000533139 - 3.673563618
230 C14 Ryd(3d) 0.000405392 - 1.428881924
231 C14 Ryd(4d) 0.000349081 - 3.506257890
232 C15 Cor(1S) 1.999025906 - -10.028956718
233 C15 Val(2S) 0.937195872 - -0.160541754
234 C15 Ryd(3S) 0.001099313 - 1.406205782
235 C15 Ryd(4S) 0.000035084 - 2.254527336
236 C15 Ryd(5S) 0.000009505 - 19.954008039
237 C15 Val(2p) 1.135646241 - -0.060888343
238 C15 Ryd(4p) 0.004532490 - 1.246758774
239 C15 Ryd(3p) 0.000121071 - 0.629854453
240 C15 Ryd(5p) 0.000110714 - 3.467285585
241 C15 Val(2p) 1.058641349 - -0.081255761
242 C15 Ryd(4p) 0.002834966 - 0.819564063
243 C15 Ryd(3p) 0.000222958 - 0.478791417
244 C15 Ryd(5p) 0.000082868 - 3.188185265
245 C15 Val(2p) 1.059967198 - -0.086935562
246 C15 Ryd(4p) 0.002934736 - 0.804364971
247 C15 Ryd(3p) 0.000346000 - 0.459579232
248 C15 Ryd(5p) 0.000070040 - 3.117311065
249 C15 Ryd(3d) 0.000531931 - 1.904033525
250 C15 Ryd(4d) 0.000452928 - 3.400040198
251 C15 Ryd(3d) 0.000457555 - 1.758326511
252 C15 Ryd(4d) 0.000439373 - 3.339491841
253 C15 Ryd(3d) 0.001194757 - 1.925938868
254 C15 Ryd(4d) 0.000146660 - 3.446839259
255 C15 Ryd(3d) 0.000743981 - 1.857142847
256 C15 Ryd(4d) 0.000273227 - 3.438635500
257 C15 Ryd(3d) 0.000516892 - 1.593061849
258 C15 Ryd(4d) 0.000108365 - 3.209372965
259 C16 Cor(1S) 1.999149299 - -10.032206089
260 C16 Val(2S) 0.947517474 - -0.167546497
261 C16 Ryd(4S) 0.001043473 - 1.498363399
262 C16 Ryd(3S) 0.000098396 - 1.096603810
263 C16 Ryd(5S) 0.000010026 - 20.916032271
264 C16 Val(2p) 1.062918818 - -0.050199183
265 C16 Ryd(4p) 0.004299433 - 0.837040443
266 C16 Ryd(3p) 0.000300853 - 0.669525297
267 C16 Ryd(5p) 0.000196120 - 3.321505020
268 C16 Val(2p) 1.091018894 - -0.082615185
269 C16 Ryd(4p) 0.004440402 - 0.863769635
270 C16 Ryd(3p) 0.000260936 - 0.416179206
271 C16 Ryd(5p) 0.000037276 - 3.084570099
272 C16 Val(2p) 1.074520338 - -0.087322194
273 C16 Ryd(4p) 0.004009689 - 0.801418752
274 C16 Ryd(3p) 0.000307470 - 0.412921440
275 C16 Ryd(5p) 0.000035678 - 3.042326445
276 C16 Ryd(3d) 0.000533587 - 1.814861155
277 C16 Ryd(4d) 0.000264471 - 3.305129536
278 C16 Ryd(3d) 0.000482616 - 1.799103995
279 C16 Ryd(4d) 0.000271482 - 3.272951190
280 C16 Ryd(3d) 0.001060052 - 1.682358068
281 C16 Ryd(4d) 0.000343707 - 3.323636994
282 C16 Ryd(3d) 0.000798876 - 2.220055707
283 C16 Ryd(4d) 0.000462259 - 3.409463318
284 C16 Ryd(3d) 0.000502876 - 1.643560355
285 C16 Ryd(4d) 0.000153655 - 3.080450492
286 C17 Cor(1S) 1.999143677 - -10.031578479
287 C17 Val(2S) 0.950665418 - -0.167801775
288 C17 Ryd(3S) 0.001031557 - 1.255719130
289 C17 Ryd(4S) 0.000086168 - 2.281993461
290 C17 Ryd(5S) 0.000006617 - 20.154821870
291 C17 Val(2p) 1.157915657 - -0.057430632
292 C17 Ryd(4p) 0.006365677 - 1.079798119
293 C17 Ryd(3p) 0.000314085 - 0.393658831
294 C17 Ryd(5p) 0.000070353 - 3.432558451
295 C17 Val(2p) 1.042934880 - -0.080124536
296 C17 Ryd(4p) 0.003271830 - 0.704419723
297 C17 Ryd(3p) 0.000388402 - 0.438477903
298 C17 Ryd(5p) 0.000103650 - 3.114567045
299 C17 Val(2p) 1.030770585 - -0.084646633
300 C17 Ryd(4p) 0.002938206 - 0.659787699
301 C17 Ryd(3p) 0.000438343 - 0.425741105
302 C17 Ryd(5p) 0.000096164 - 3.061873980
303 C17 Ryd(3d) 0.000554751 - 1.846910069
304 C17 Ryd(4d) 0.000378137 - 3.211084769
305 C17 Ryd(3d) 0.000544580 - 1.821171747
306 C17 Ryd(4d) 0.000273156 - 3.159020013
307 C17 Ryd(3d) 0.001227086 - 2.206591621
308 C17 Ryd(4d) 0.000160199 - 3.310018827
309 C17 Ryd(3d) 0.000648380 - 1.854826599
310 C17 Ryd(4d) 0.000449977 - 3.287685681
311 C17 Ryd(3d) 0.000363599 - 1.613222036
312 C17 Ryd(4d) 0.000235071 - 3.057566007
313 C18 Cor(1S) 1.999145564 - -10.031585707
314 C18 Val(2S) 0.948175493 - -0.166972270
315 C18 Ryd(4S) 0.001040598 - 1.441218469
316 C18 Ryd(3S) 0.000076946 - 0.942063407
317 C18 Ryd(5S) 0.000008754 - 21.074472406
318 C18 Val(2p) 1.126815935 - -0.053558531
319 C18 Ryd(4p) 0.005829388 - 1.006386970
320 C18 Ryd(3p) 0.000291506 - 0.573420882
321 C18 Ryd(5p) 0.000130864 - 3.328417862
322 C18 Val(2p) 1.052013217 - -0.080043451
323 C18 Ryd(4p) 0.003394341 - 0.743899083
324 C18 Ryd(3p) 0.000320866 - 0.515155218
325 C18 Ryd(5p) 0.000081728 - 3.076321821
326 C18 Val(2p) 1.050317914 - -0.085564463
327 C18 Ryd(4p) 0.003259484 - 0.730144729
328 C18 Ryd(3p) 0.000338236 - 0.451545698
329 C18 Ryd(5p) 0.000062813 - 3.030920259
330 C18 Ryd(3d) 0.000573155 - 1.945371167
331 C18 Ryd(4d) 0.000482037 - 3.336781748
332 C18 Ryd(3d) 0.000504763 - 1.794193255
333 C18 Ryd(4d) 0.000463232 - 3.281664307
334 C18 Ryd(3d) 0.001184584 - 1.964179811
335 C18 Ryd(4d) 0.000134985 - 3.347836118
336 C18 Ryd(3d) 0.000700061 - 1.859099743
337 C18 Ryd(4d) 0.000276031 - 3.362965528
338 C18 Ryd(3d) 0.000433737 - 1.568384039
339 C18 Ryd(4d) 0.000130250 - 3.101016032
340 C19 Cor(1S) 1.999029360 - -10.026253619
341 C19 Val(2S) 0.939139625 - -0.157758153
342 C19 Ryd(3S) 0.001341314 - 1.303229471
343 C19 Ryd(4S) 0.000029582 - 4.616408005
344 C19 Ryd(5S) 0.000007853 - 17.819765082
345 C19 Val(2p) 1.072101377 - -0.053423585
346 C19 Ryd(4p) 0.003751488 - 1.015849882
347 C19 Ryd(3p) 0.000241440 - 0.689028056
348 C19 Ryd(5p) 0.000181817 - 3.492524892
349 C19 Val(2p) 1.089529678 - -0.080935341
350 C19 Ryd(4p) 0.003858342 - 0.923244766
351 C19 Ryd(3p) 0.000187190 - 0.512258880
352 C19 Ryd(5p) 0.000041625 - 3.212818194
353 C19 Val(2p) 1.069855720 - -0.085662229
354 C19 Ryd(4p) 0.003777721 - 0.823901209
355 C19 Ryd(3p) 0.000255402 - 0.471230160
356 C19 Ryd(5p) 0.000043494 - 3.152514930
357 C19 Ryd(3d) 0.000583645 - 1.794657385
358 C19 Ryd(4d) 0.000284484 - 3.450962730
359 C19 Ryd(3d) 0.000532699 - 1.738805653
360 C19 Ryd(4d) 0.000302955 - 3.412098234
361 C19 Ryd(3d) 0.001175855 - 1.661549800
362 C19 Ryd(4d) 0.000249124 - 3.447375270
363 C19 Ryd(3d) 0.000754317 - 2.114724550
364 C19 Ryd(4d) 0.000436797 - 3.522946176
365 C19 Ryd(3d) 0.000527856 - 1.603107180
366 C19 Ryd(4d) 0.000122906 - 3.202521353
367 H20 Val(1S) 0.779475109 - 0.059913579
368 H20 Ryd(3S) 0.000638420 - 1.671821202
369 H20 Ryd(2S) 0.000147918 - 1.499796050
370 H20 Ryd(2p) 0.000076866 - 2.636334486
371 H20 Ryd(2p) 0.000287702 - 2.532952342
372 H20 Ryd(2p) 0.000276167 - 2.434542332
373 H21 Val(1S) 0.792558171 - 0.046269840
374 H21 Ryd(2S) 0.000539445 - 1.093961537
375 H21 Ryd(3S) 0.000159332 - 1.979532334
376 H21 Ryd(2p) 0.000256361 - 2.769032856
377 H21 Ryd(2p) 0.000193097 - 2.330770796
378 H21 Ryd(2p) 0.000217501 - 2.288825175
379 H22 Val(1S) 0.792837049 - 0.045952629
380 H22 Ryd(2S) 0.000431864 - 1.092348595
381 H22 Ryd(3S) 0.000161721 - 1.959015993
382 H22 Ryd(2p) 0.000359140 - 2.855079718
383 H22 Ryd(2p) 0.000158706 - 2.296180897
384 H22 Ryd(2p) 0.000152164 - 2.225374664
385 H23 Val(1S) 0.792469102 - 0.045842810
386 H23 Ryd(2S) 0.000526374 - 1.107819368
387 H23 Ryd(3S) 0.000156780 - 1.978681261
388 H23 Ryd(2p) 0.000063500 - 2.576202335
389 H23 Ryd(2p) 0.000312899 - 2.454222103
390 H23 Ryd(2p) 0.000292476 - 2.362355740
391 H24 Val(1S) 0.785900016 - 0.051754091
392 H24 Ryd(3S) 0.000533867 - 1.573789565
393 H24 Ryd(2S) 0.000143654 - 1.554643020
394 H24 Ryd(2p) 0.000237804 - 2.825844558
395 H24 Ryd(2p) 0.000201183 - 2.406300361
396 H24 Ryd(2p) 0.000217919 - 2.366824470
397 C25 Cor(1S) 1.998927209 - -10.035391494
398 C25 Val(2S) 0.880932463 - -0.137774964
399 C25 Ryd(3S) 0.002643814 - 1.490323077
400 C25 Ryd(4S) 0.001203973 - 1.578123389
401 C25 Ryd(5S) 0.000032497 - 20.654439731
402 C25 Val(2p) 1.008709903 - -0.104227495
403 C25 Ryd(4p) 0.003181843 - 0.685078192
404 C25 Ryd(3p) 0.000982995 - 0.503878555
405 C25 Ryd(5p) 0.000023898 - 2.992101415
406 C25 Val(2p) 1.048182113 - -0.058247274
407 C25 Ryd(4p) 0.007603220 - 1.145019643
408 C25 Ryd(3p) 0.001255412 - 0.741089442
409 C25 Ryd(5p) 0.000118654 - 3.318382149
410 C25 Val(2p) 1.079537028 - -0.060788377
411 C25 Ryd(4p) 0.005159694 - 1.069516946
412 C25 Ryd(3p) 0.000862820 - 0.729717749
413 C25 Ryd(5p) 0.000179507 - 3.756295498
414 C25 Ryd(3d) 0.000487483 - 1.472929624
415 C25 Ryd(4d) 0.000200735 - 3.524560023
416 C25 Ryd(3d) 0.000320928 - 1.460082390
417 C25 Ryd(4d) 0.000300646 - 3.363294631
418 C25 Ryd(3d) 0.000587362 - 2.265541496
419 C25 Ryd(4d) 0.000720128 - 3.712777529
420 C25 Ryd(3d) 0.000978408 - 1.780087457
421 C25 Ryd(4d) 0.000290788 - 3.618308135
422 C25 Ryd(3d) 0.000869327 - 2.325039384
423 C25 Ryd(4d) 0.000626969 - 3.560850155
424 C26 Cor(1S) 1.999003542 - -10.020968234
425 C26 Val(2S) 0.939535061 - -0.152913085
426 C26 Ryd(3S) 0.001212475 - 1.395414092
427 C26 Ryd(4S) 0.000029310 - 7.379797023
428 C26 Ryd(5S) 0.000007381 - 15.010198206
429 C26 Val(2p) 0.994428115 - -0.102258435
430 C26 Ryd(4p) 0.001198674 - 0.612474944
431 C26 Ryd(3p) 0.000299125 - 0.431636801
432 C26 Ryd(5p) 0.000035409 - 2.903742260
433 C26 Val(2p) 1.072197547 - -0.050755453
434 C26 Ryd(4p) 0.004013152 - 1.049409689
435 C26 Ryd(3p) 0.000169200 - 0.692283466
436 C26 Ryd(5p) 0.000160684 - 3.458081732
437 C26 Val(2p) 1.180889783 - -0.054951888
438 C26 Ryd(4p) 0.006565796 - 1.156659236
439 C26 Ryd(3p) 0.000136182 - 0.490935147
440 C26 Ryd(5p) 0.000065853 - 3.526619261
441 C26 Ryd(3d) 0.000331098 - 1.543228869
442 C26 Ryd(4d) 0.000166221 - 3.222888059
443 C26 Ryd(3d) 0.000499660 - 1.410942165
444 C26 Ryd(4d) 0.000045472 - 3.099636978
445 C26 Ryd(3d) 0.000820174 - 2.037430995
446 C26 Ryd(4d) 0.000472748 - 3.616304061
447 C26 Ryd(3d) 0.001100290 - 2.094324107
448 C26 Ryd(4d) 0.000165537 - 3.474396621
449 C26 Ryd(3d) 0.000785453 - 1.874334462
450 C26 Ryd(4d) 0.000533301 - 3.563729492
451 C27 Cor(1S) 1.999145526 - -10.028620288
452 C27 Val(2S) 0.947957835 - -0.163649989
453 C27 Ryd(4S) 0.001011022 - 1.478493478
454 C27 Ryd(3S) 0.000057506 - 1.277411671
455 C27 Ryd(5S) 0.000010816 - 20.804576374
456 C27 Val(2p) 1.004135921 - -0.105969726
457 C27 Ryd(4p) 0.001504817 - 0.567642843
458 C27 Ryd(3p) 0.000367133 - 0.366597087
459 C27 Ryd(5p) 0.000015430 - 2.809107162
460 C27 Val(2p) 1.113992950 - -0.049877763
461 C27 Ryd(4p) 0.005541529 - 0.979513249
462 C27 Ryd(3p) 0.000286878 - 0.543149277
463 C27 Ryd(5p) 0.000130291 - 3.366507566
464 C27 Val(2p) 1.109552132 - -0.052767088
465 C27 Ryd(4p) 0.005370722 - 0.954567314
466 C27 Ryd(3p) 0.000229171 - 0.538341485
467 C27 Ryd(5p) 0.000126676 - 3.408966695
468 C27 Ryd(3d) 0.000379158 - 1.494301404
469 C27 Ryd(4d) 0.000113761 - 3.025206018
470 C27 Ryd(3d) 0.000319030 - 1.491057197
471 C27 Ryd(4d) 0.000129881 - 3.011785420
472 C27 Ryd(3d) 0.000702939 - 2.343414323
473 C27 Ryd(4d) 0.000829741 - 3.583392567
474 C27 Ryd(3d) 0.001067068 - 1.890499869
475 C27 Ryd(4d) 0.000136462 - 3.288789590
476 C27 Ryd(3d) 0.000886445 - 2.048810271
477 C27 Ryd(4d) 0.000279496 - 3.430024792
478 C28 Cor(1S) 1.999143780 - -10.027894947
479 C28 Val(2S) 0.950120430 - -0.164374959
480 C28 Ryd(3S) 0.001066924 - 1.240813766
481 C28 Ryd(4S) 0.000083352 - 2.579509567
482 C28 Ryd(5S) 0.000006401 - 19.872685805
483 C28 Val(2p) 1.007814403 - -0.106238667
484 C28 Ryd(4p) 0.001631110 - 0.535032433
485 C28 Ryd(3p) 0.000412902 - 0.359612038
486 C28 Ryd(5p) 0.000023887 - 2.794984339
487 C28 Val(2p) 1.157823960 - -0.055333610
488 C28 Ryd(4p) 0.006386719 - 1.090907446
489 C28 Ryd(3p) 0.000295022 - 0.393768905
490 C28 Ryd(5p) 0.000064532 - 3.409305956
491 C28 Val(2p) 1.073613332 - -0.051857843
492 C28 Ryd(4p) 0.004738983 - 0.817747793
493 C28 Ryd(3p) 0.000409964 - 0.551248175
494 C28 Ryd(5p) 0.000183147 - 3.392116919
495 C28 Ryd(3d) 0.000403509 - 1.481723538
496 C28 Ryd(4d) 0.000072421 - 2.935615025
497 C28 Ryd(3d) 0.000306343 - 1.610623313
498 C28 Ryd(4d) 0.000145257 - 3.018565107
499 C28 Ryd(3d) 0.000732548 - 2.133212013
500 C28 Ryd(4d) 0.000529500 - 3.472656731
501 C28 Ryd(3d) 0.000953826 - 1.711986619
502 C28 Ryd(4d) 0.000309359 - 3.232616362
503 C28 Ryd(3d) 0.000897568 - 2.335828971
504 C28 Ryd(4d) 0.000457746 - 3.456168148
505 C29 Cor(1S) 1.999148842 - -10.029483854
506 C29 Val(2S) 0.947138628 - -0.164476615
507 C29 Ryd(4S) 0.001025150 - 1.461281140
508 C29 Ryd(3S) 0.000093458 - 0.678322035
509 C29 Ryd(5S) 0.000010729 - 21.363907322
510 C29 Val(2p) 1.001147772 - -0.106312109
511 C29 Ryd(4p) 0.001532780 - 0.549841789
512 C29 Ryd(3p) 0.000459588 - 0.410623699
513 C29 Ryd(5p) 0.000020982 - 2.770557275
514 C29 Val(2p) 1.065146787 - -0.049865589
515 C29 Ryd(4p) 0.004314997 - 0.819154386
516 C29 Ryd(3p) 0.000305442 - 0.743237864
517 C29 Ryd(5p) 0.000171567 - 3.303368789
518 C29 Val(2p) 1.162941361 - -0.056524675
519 C29 Ryd(4p) 0.006771331 - 1.104899911
520 C29 Ryd(3p) 0.000250474 - 0.518616896
521 C29 Ryd(5p) 0.000062224 - 3.278624444
522 C29 Ryd(3d) 0.000367779 - 1.647845476
523 C29 Ryd(4d) 0.000117369 - 3.036267291
524 C29 Ryd(3d) 0.000387869 - 1.498936046
525 C29 Ryd(4d) 0.000079383 - 2.918847369
526 C29 Ryd(3d) 0.000745642 - 2.144446593
527 C29 Ryd(4d) 0.000343349 - 3.481617001
528 C29 Ryd(3d) 0.001091763 - 2.198555665
529 C29 Ryd(4d) 0.000194905 - 3.301398903
530 C29 Ryd(3d) 0.000738242 - 1.925941635
531 C29 Ryd(4d) 0.000674407 - 3.400547382
532 C30 Cor(1S) 1.999018951 - -10.025379121
533 C30 Val(2S) 0.935858119 - -0.157009164
534 C30 Ryd(3S) 0.001430534 - 1.267439399
535 C30 Ryd(4S) 0.000034113 - 1.496805847
536 C30 Ryd(5S) 0.000006601 - 20.973919594
537 C30 Val(2p) 1.009104162 - -0.106692847
538 C30 Ryd(4p) 0.001189660 - 0.662139791
539 C30 Ryd(3p) 0.000473329 - 0.498143057
540 C30 Ryd(5p) 0.000042896 - 2.880996424
541 C30 Val(2p) 1.127354832 - -0.059988799
542 C30 Ryd(4p) 0.004206003 - 1.223546079
543 C30 Ryd(3p) 0.000130037 - 0.717880356
544 C30 Ryd(5p) 0.000107208 - 3.473502215
545 C30 Val(2p) 1.115735445 - -0.055310843
546 C30 Ryd(4p) 0.004608906 - 1.060044443
547 C30 Ryd(3p) 0.000219809 - 0.507201124
548 C30 Ryd(5p) 0.000130987 - 3.321921718
549 C30 Ryd(3d) 0.000336058 - 1.449809304
550 C30 Ryd(4d) 0.000152627 - 3.149749792
551 C30 Ryd(3d) 0.000430165 - 1.497733439
552 C30 Ryd(4d) 0.000071881 - 3.190091972
553 C30 Ryd(3d) 0.000800438 - 2.175034796
554 C30 Ryd(4d) 0.000704000 - 3.674569983
555 C30 Ryd(3d) 0.001147010 - 1.908765601
556 C30 Ryd(4d) 0.000139239 - 3.417804088
557 C30 Ryd(3d) 0.000874292 - 2.036215539
558 C30 Ryd(4d) 0.000285579 - 3.585922810
559 H31 Val(1S) 0.790057453 - 0.049860515
560 H31 Ryd(2S) 0.001360904 - 0.689960868
561 H31 Ryd(3S) 0.000244367 - 2.407714253
562 H31 Ryd(2p) 0.000220497 - 2.042073805
563 H31 Ryd(2p) 0.000165010 - 2.801068540
564 H31 Ryd(2p) 0.000173550 - 2.803199633
565 H32 Val(1S) 0.793251508 - 0.047666282
566 H32 Ryd(2S) 0.000569068 - 1.114058461
567 H32 Ryd(3S) 0.000158645 - 1.990583240
568 H32 Ryd(2p) 0.000207264 - 1.961655180
569 H32 Ryd(2p) 0.000069286 - 2.582406064
570 H32 Ryd(2p) 0.000381044 - 2.862049751
571 H33 Val(1S) 0.793820354 - 0.048233844
572 H33 Ryd(2S) 0.000476466 - 1.095815310
573 H33 Ryd(3S) 0.000160765 - 1.949499891
574 H33 Ryd(2p) 0.000214416 - 1.957239353
575 H33 Ryd(2p) 0.000367567 - 2.860745938
576 H33 Ryd(2p) 0.000087466 - 2.571999620
577 H34 Val(1S) 0.794268085 - 0.048664057
578 H34 Ryd(2S) 0.000482355 - 1.125523456
579 H34 Ryd(3S) 0.000170333 - 1.951790242
580 H34 Ryd(2p) 0.000220530 - 1.969858937
581 H34 Ryd(2p) 0.000235358 - 2.732391271
582 H34 Ryd(2p) 0.000209148 - 2.698815088
583 H35 Val(1S) 0.770802270 - 0.071857493
584 H35 Ryd(3S) 0.000570099 - 1.668331909
585 H35 Ryd(2S) 0.000151539 - 1.548772315
586 H35 Ryd(2p) 0.000202583 - 2.026026821
587 H35 Ryd(2p) 0.000090921 - 2.649094432
588 H35 Ryd(2p) 0.000354031 - 2.963969139
589 O36 Cor(1S) 1.999779522 - -18.917168845
590 O36 Val(2S) 1.676823417 - -0.912268867
591 O36 Ryd(4S) 0.000306245 - 2.772196360
592 O36 Ryd(3S) 0.000115439 - 1.759266323
593 O36 Ryd(5S) 0.000000411 - 49.156617054
594 O36 Val(2p) 1.910783901 - -0.308802194
595 O36 Ryd(3p) 0.002731277 - 0.770479056
596 O36 Ryd(4p) 0.000101163 - 1.237617560
597 O36 Ryd(5p) 0.000012585 - 5.114349139
598 O36 Val(2p) 1.663900599 - -0.298815520
599 O36 Ryd(3p) 0.001880363 - 1.043196177
600 O36 Ryd(4p) 0.000121699 - 1.324527329
601 O36 Ryd(5p) 0.000036378 - 5.301270795
602 O36 Val(2p) 1.486622690 - -0.302504010
603 O36 Ryd(3p) 0.002160161 - 0.760908536
604 O36 Ryd(4p) 0.000245982 - 1.270414620
605 O36 Ryd(5p) 0.000057492 - 4.881850687
606 O36 Ryd(3d) 0.002884948 - 1.740277887
607 O36 Ryd(4d) 0.000005452 - 6.860732402
608 O36 Ryd(3d) 0.001352066 - 1.930026900
609 O36 Ryd(4d) 0.000032128 - 7.013874043
610 O36 Ryd(3d) 0.002015043 - 1.926052019
611 O36 Ryd(4d) 0.000044596 - 6.993598965
612 O36 Ryd(3d) 0.003176783 - 1.768510090
613 O36 Ryd(4d) 0.000008430 - 6.879284296
614 O36 Ryd(3d) 0.002821669 - 2.042214186
615 O36 Ryd(4d) 0.000020407 - 7.080550493
616 H37 Val(1S) 0.524588446 - 0.119306985
617 H37 Ryd(3S) 0.000614168 - 2.185133717
618 H37 Ryd(2S) 0.000181313 - 0.838817227
619 H37 Ryd(2p) 0.000771969 - 2.133615473
620 H37 Ryd(2p) 0.000363860 - 2.791818060
621 H37 Ryd(2p) 0.000379293 - 2.401724451

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(C2) 1s(27.31%)p2.66(72.65%)d0.00(0.05%) 1.021701574 - -0.130852678
2 BD(1)C2(C1) 2s(28.00%)p2.57(71.88%)d0.00(0.12%) 0.983505960 - -0.109246590
3 BD(1)C1(C14) 1s(27.50%)p2.63(72.43%)d0.00(0.07%) 1.008710295 - -0.117265171
4 BD(1)C14(C1) 14s(30.89%)p2.24(69.05%)d0.00(0.06%) 1.000018359 - -0.109788503
5 BD(1)C1(C25) 1s(26.75%)p2.74(73.18%)d0.00(0.08%) 1.009857917 - -0.116476356
6 BD(1)C25(C1) 25s(30.87%)p2.24(69.07%)d0.00(0.06%) 0.994628657 - -0.107752832
7 BD(1)C1(O36) 1s(18.49%)p4.40(81.39%)d0.01(0.12%) 0.676409055 - -0.099250651
8 BD(1)O36(C1) 36s(31.28%)p2.19(68.54%)d0.01(0.18%) 1.349919848 - -0.465062118
9 BD(1)C2(C3) 2s(27.92%)p2.58(72.01%)d0.00(0.07%) 0.991361234 - -0.108753501
10 BD(1)C3(C2) 3s(29.47%)p2.39(70.47%)d0.00(0.06%) 1.001690861 - -0.112704253
11 BD(1)C2(H12) 2s(21.96%)p3.55(77.95%)d0.00(0.10%) 1.206487752 - -0.133194085
12 BD(1)H12(C2) 12s(99.98%)p0.00(0.02%) 0.781978595 - 0.047102805
13 BD(1)C2(H13) 2s(22.13%)p3.51(77.75%)d0.01(0.11%) 1.201116052 - -0.133285309
14 BD(1)H13(C2) 13s(99.98%)p0.00(0.02%) 0.785467473 - 0.043151730
15 BD(1)C3(C4) 3s(26.67%)p2.74(73.20%)d0.00(0.13%) 1.057814161 - -0.129426557
16 BD(1)C4(C3) 4s(35.10%)p1.85(64.86%)d0.00(0.04%) 0.988266935 - -0.113690882
17 BD(1)C3(H10) 3s(22.08%)p3.52(77.81%)d0.00(0.10%) 1.203949948 - -0.143297684
18 BD(1)H10(C3) 10s(99.98%)p0.00(0.02%) 0.770881846 - 0.033197697
19 BD(1)C3(H11) 3s(21.80%)p3.58(78.09%)d0.00(0.11%) 1.208903677 - -0.144362682
20 BD(1)H11(C3) 11s(99.98%)p0.00(0.02%) 0.763233733 - 0.036088399
21 BD(1)C4(C5) 4s(34.24%)p1.92(65.72%)d0.00(0.04%) 0.998561999 - -0.130055591
22 BD(1)C5(C4) 5s(28.36%)p2.52(71.49%)d0.01(0.15%) 1.046507689 - -0.133805493
23 BD(1)C4(O9) 4s(30.70%)p2.25(69.18%)d0.00(0.12%) 0.689363894 - 0.037758359
24 BD(1)O9(C4) 9s(43.37%)p1.29(56.14%)d0.01(0.49%) 1.321981681 - -0.509129918
25 BD(2)C4(O9) 4s(0.00%)p1.00(99.85%)d0.00(0.15%) 0.703528558 - -0.114167040
26 BD(2)O9(C4) 9s(0.00%)p1.00(99.59%)d0.00(0.41%) 1.375361662 - -0.252732641
27 BD(1)C5(H6) 5s(24.76%)p3.04(75.17%)d0.00(0.07%) 1.218396692 - -0.152155424
28 BD(1)H6(C5) 6s(99.97%)p0.00(0.03%) 0.774820016 - 0.037073958
29 BD(1)C5(H7) 5s(23.18%)p3.31(76.71%)d0.00(0.11%) 1.198194541 - -0.154464747
30 BD(1)H7(C5) 7s(99.98%)p0.00(0.02%) 0.776216475 - 0.016822948
31 BD(1)C5(H8) 5s(23.67%)p3.22(76.23%)d0.00(0.10%) 1.198399798 - -0.153787200
32 BD(1)H8(C5) 8s(99.98%)p0.00(0.02%) 0.782609716 - 0.017393776
33 BD(1)C14(C15) 14s(35.10%)p1.85(64.83%)d0.00(0.07%) 1.010466767 - -0.073837915
34 BD(1)C15(C14) 15s(36.01%)p1.77(63.88%)d0.00(0.11%) 0.986298002 - -0.058902004
35 BD(2)C14(C15) 14s(0.01%)p1.00(99.97%)d0.00(0.03%) 1.016629679 - -0.111657622
36 BD(2)C15(C14) 15s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.000659613 - -0.113642611
37 BD(1)C14(C19) 14s(33.91%)p1.95(66.01%)d0.00(0.08%) 1.010907505 - -0.072058435
38 BD(1)C19(C14) 19s(35.72%)p1.80(64.17%)d0.00(0.11%) 0.983547734 - -0.057442296
39 BD(1)C15(C16) 15s(35.64%)p1.80(64.26%)d0.00(0.10%) 1.004751539 - -0.068321333
40 BD(1)C16(C15) 16s(35.72%)p1.80(64.17%)d0.00(0.12%) 0.988266426 - -0.060527878
41 BD(1)C15(H24) 15s(28.20%)p2.54(71.75%)d0.00(0.05%) 1.205480570 - -0.131771596
42 BD(1)H24(C15) 24s(99.96%)p0.00(0.04%) 0.786214459 - 0.054175748
43 BD(1)C16(C17) 16s(35.93%)p1.78(63.96%)d0.00(0.11%) 0.998796579 - -0.064760619
44 BD(1)C17(C16) 17s(35.78%)p1.79(64.10%)d0.00(0.11%) 0.996437424 - -0.062417430
45 BD(2)C16(C17) 16s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.996482195 - -0.112796734
46 BD(2)C17(C16) 17s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.996685386 - -0.112899057
47 BD(1)C16(H23) 16s(28.21%)p2.54(71.75%)d0.00(0.04%) 1.200171966 - -0.132724964
48 BD(1)H23(C16) 23s(99.96%)p0.00(0.04%) 0.792817651 - 0.047961496
49 BD(1)C17(C18) 17s(35.58%)p1.81(64.31%)d0.00(0.11%) 0.996954441 - -0.064398016
50 BD(1)C18(C17) 18s(35.67%)p1.80(64.22%)d0.00(0.11%) 0.998462883 - -0.065904135
51 BD(1)C17(H22) 17s(28.50%)p2.51(71.46%)d0.00(0.04%) 1.200343983 - -0.132935868
52 BD(1)H22(C17) 22s(99.96%)p0.00(0.04%) 0.793186306 - 0.048002916
53 BD(1)C18(C19) 18s(35.97%)p1.78(63.92%)d0.00(0.11%) 0.991056554 - -0.059188446
54 BD(1)C19(C18) 19s(35.92%)p1.78(63.98%)d0.00(0.10%) 1.001911815 - -0.064839316
55 BD(2)C18(C19) 18s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.995139381 - -0.112045322
56 BD(2)C19(C18) 19s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.978976111 - -0.109746374
57 BD(1)C18(H21) 18s(28.22%)p2.54(71.74%)d0.00(0.04%) 1.200440312 - -0.132448387
58 BD(1)H21(C18) 21s(99.96%)p0.00(0.04%) 0.792907263 - 0.048392857
59 BD(1)C19(H20) 19s(28.22%)p2.54(71.73%)d0.00(0.05%) 1.212031420 - -0.129630203
60 BD(1)H20(C19) 20s(99.96%)p0.00(0.04%) 0.779786471 - 0.062443676
61 BD(1)C25(C26) 25s(34.95%)p1.86(64.98%)d0.00(0.07%) 1.013674325 - -0.069816490
62 BD(1)C26(C25) 26s(35.70%)p1.80(64.19%)d0.00(0.11%) 0.981510018 - -0.051883864
63 BD(2)C25(C26) 25s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.005739932 - -0.106121579
64 BD(2)C26(C25) 26s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.989333212 - -0.104813039
65 BD(1)C25(C30) 25s(34.09%)p1.93(65.83%)d0.00(0.08%) 1.007142201 - -0.067332590
66 BD(1)C30(C25) 30s(36.06%)p1.77(63.84%)d0.00(0.10%) 0.986460433 - -0.057671079
67 BD(1)C26(C27) 26s(35.59%)p1.81(64.31%)d0.00(0.10%) 1.001842491 - -0.061364316
68 BD(1)C27(C26) 27s(35.83%)p1.79(64.06%)d0.00(0.11%) 0.990653235 - -0.056734489
69 BD(1)C26(H35) 26s(28.57%)p2.50(71.38%)d0.00(0.05%) 1.220342928 - -0.126126963
70 BD(1)H35(C26) 35s(99.96%)p0.00(0.04%) 0.771113660 - 0.074455925
71 BD(1)C27(C28) 27s(35.90%)p1.78(63.99%)d0.00(0.11%) 0.997814515 - -0.061175340
72 BD(1)C28(C27) 28s(35.79%)p1.79(64.10%)d0.00(0.11%) 0.997684233 - -0.059897468
73 BD(2)C27(C28) 27s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.996255283 - -0.109239790
74 BD(2)C28(C27) 28s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.004608734 - -0.110090944
75 BD(1)C27(H34) 27s(28.13%)p2.55(71.83%)d0.00(0.04%) 1.198554127 - -0.128300963
76 BD(1)H34(C27) 34s(99.96%)p0.00(0.04%) 0.794611321 - 0.050793241
77 BD(1)C28(C29) 28s(35.58%)p1.81(64.31%)d0.00(0.11%) 0.995826826 - -0.060938459
78 BD(1)C29(C28) 29s(35.78%)p1.79(64.11%)d0.00(0.11%) 0.999258677 - -0.063530910
79 BD(1)C28(H33) 28s(28.50%)p2.51(71.46%)d0.00(0.04%) 1.199436474 - -0.129676656
80 BD(1)H33(C28) 33s(99.96%)p0.00(0.04%) 0.794165272 - 0.050306984
81 BD(1)C29(C30) 29s(35.89%)p1.78(64.00%)d0.00(0.11%) 0.988491998 - -0.057090514
82 BD(1)C30(C29) 30s(35.97%)p1.78(63.94%)d0.00(0.09%) 1.004252233 - -0.064726507
83 BD(2)C29(C30) 29s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.996911196 - -0.109901375
84 BD(2)C30(C29) 30s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.000010452 - -0.110052722
85 BD(1)C29(H32) 29s(28.19%)p2.55(71.76%)d0.00(0.04%) 1.199487399 - -0.130051865
86 BD(1)H32(C29) 32s(99.96%)p0.00(0.04%) 0.793597874 - 0.049803140
87 BD(1)C30(H31) 30s(27.83%)p2.59(72.11%)d0.00(0.07%) 1.203262104 - -0.130814162
88 BD(1)H31(C30) 31s(99.97%)p0.00(0.03%) 0.790279394 - 0.052222502
89 BD(1)O36(H37) 36s(20.62%)p3.84(79.08%)d0.01(0.30%) 1.469142624 - -0.425669653
90 BD(1)H37(O36) 37s(99.95%)p0.00(0.05%) 0.524836306 - 0.125882557
91 CR(1)C1 s(100.00%)p0.00(0.00%) 1.998894052 - -10.115743383
92 CR(1)C2 s(100.00%)p0.00(0.00%) 1.999193697 - -10.030111188
93 CR(1)C3 s(100.00%)p0.00(0.00%) 1.999155272 - -10.036456499
94 CR(1)C4 s(100.00%) 1.999395437 - -10.139189706
95 CR(1)C5 s(100.00%)p0.00(0.00%) 1.999262937 - -10.035164397
96 CR(1)O9 s(100.00%)p0.00(0.00%) 1.999742698 - -18.845226051
97 CR(1)C14 s(100.00%) 1.998938131 - -10.038873240
98 CR(1)C15 s(100.00%)p0.00(0.00%) 1.999028762 - -10.029233726
99 CR(1)C16 s(100.00%)p0.00(0.00%) 1.999152009 - -10.032452958
100 CR(1)C17 s(100.00%)p0.00(0.00%) 1.999146499 - -10.031851671
101 CR(1)C18 s(100.00%)p0.00(0.00%) 1.999148278 - -10.031834757
102 CR(1)C19 s(100.00%)p0.00(0.00%) 1.999032382 - -10.026483789
103 CR(1)C25 s(100.00%)p0.00(0.00%) 1.998924960 - -10.035275468
104 CR(1)C26 s(100.00%)p0.00(0.00%) 1.999006391 - -10.021208817
105 CR(1)C27 s(100.00%)p0.00(0.00%) 1.999148214 - -10.028865488
106 CR(1)C28 s(100.00%)p0.00(0.00%) 1.999146642 - -10.028163300
107 CR(1)C29 s(100.00%)p0.00(0.00%) 1.999151593 - -10.029727105
108 CR(1)C30 s(100.00%)p0.00(0.00%) 1.999021949 - -10.025592261
109 CR(1)O36 s(100.00%)p0.00(0.00%) 1.999779159 - -18.917490834
110 LP(1)O9 s(56.55%)p0.77(43.34%)d0.00(0.10%) 1.977773429 - -0.688226629
111 LP(2)O9 s(0.03%)p99.99(99.70%)d8.62(0.27%) 1.892691035 - -0.268343403
112 LP(1)O36 s(47.99%)p1.08(51.92%)d0.00(0.09%) 1.977189655 - -0.621809194
113 LP(2)O36 s(0.03%)p99.99(99.82%)d4.74(0.15%) 1.956430456 - -0.311950250
114 RY*(1)C1 s(2.59%)p37.26(96.42%)d0.38(0.99%) 0.012064906 - 1.021785455
115 RY*(2)C1 s(21.26%)p3.48(74.01%)d0.22(4.73%) 0.004173749 - 1.161229786
116 RY*(3)C1 s(29.63%)p1.71(50.68%)d0.66(19.68%) 0.003088664 - 1.160340649
117 RY*(4)C1 s(5.87%)p8.76(51.37%)d7.29(42.76%) 0.001957080 - 2.081561051
118 RY*(5)C1 s(14.60%)p4.50(65.77%)d1.34(19.63%) 0.001304649 - 1.497127722
119 RY*(6)C1 s(34.66%)p0.51(17.69%)d1.37(47.64%) 0.001046748 - 1.879808662
120 RY*(7)C1 s(15.74%)p2.48(39.01%)d2.87(45.25%) 0.000804055 - 2.814410458
121 RY*(8)C1 s(13.34%)p2.46(32.79%)d4.04(53.86%) 0.000591474 - 2.778972367
122 RY*(9)C1 s(0.61%)p36.74(22.40%)d99.99(76.99%) 0.000492091 - 2.041096453
123 RY*(10)C1 s(17.13%)p3.57(61.14%)d1.27(21.73%) 0.000448119 - 1.687775158
124 RY*(11)C1 s(14.17%)p2.92(41.37%)d3.14(44.45%) 0.000363762 - 1.952576595
125 RY*(12)C1 s(4.57%)p4.39(20.08%)d16.47(75.34%) 0.000278109 - 1.966284285
126 RY*(13)C1 s(14.78%)p3.76(55.54%)d2.01(29.68%) 0.000229592 - 1.992133521
127 RY*(14)C1 s(1.44%)p20.74(29.77%)d47.92(68.79%) 0.000170805 - 1.889474897
128 RY*(15)C1 s(7.13%)p2.60(18.55%)d10.43(74.33%) 0.000145948 - 3.010755754
129 RY*(16)C1 s(0.87%)p27.64(23.95%)d86.74(75.18%) 0.000109779 - 2.909990275
130 RY*(17)C1 s(2.17%)p4.24(9.20%)d40.85(88.63%) 0.000077244 - 3.236737712
131 RY*(18)C1 s(1.94%)p24.35(47.23%)d26.21(50.83%) 0.000054896 - 2.403176480
132 RY*(19)C1 s(2.11%)p31.44(66.20%)d15.05(31.69%) 0.000041975 - 2.561922612
133 RY*(20)C1 s(65.94%)p0.15(9.91%)d0.37(24.15%) 0.000038949 - 13.224794950
134 RY*(21)C1 s(6.56%)p6.15(40.38%)d8.09(53.06%) 0.000019216 - 4.386632071
135 RY*(22)C1 s(22.84%)p1.18(26.87%)d2.20(50.29%) 0.000018692 - 6.014420845
136 RY*(1)C2 s(8.09%)p11.15(90.17%)d0.21(1.74%) 0.005256059 - 0.828476357
137 RY*(2)C2 s(1.77%)p53.88(95.10%)d1.78(3.14%) 0.005012658 - 0.824411120
138 RY*(3)C2 s(3.62%)p25.69(93.10%)d0.90(3.27%) 0.002781780 - 0.898765408
139 RY*(4)C2 s(69.50%)p0.23(16.21%)d0.21(14.29%) 0.000954476 - 1.192620125
140 RY*(5)C2 s(14.22%)p1.82(25.94%)d4.21(59.84%) 0.000505667 - 1.402670423
141 RY*(6)C2 s(2.49%)p2.92(7.29%)d36.19(90.22%) 0.000450253 - 1.981522652
142 RY*(7)C2 s(1.92%)p12.33(23.63%)d38.84(74.45%) 0.000233448 - 2.412370309
143 RY*(8)C2 s(0.39%)p99.99(47.20%)d99.99(52.41%) 0.000158353 - 1.643340464
144 RY*(9)C2 s(1.15%)p60.35(69.16%)d25.91(29.70%) 0.000164888 - 3.173405342
145 RY*(10)C2 s(0.07%)p99.99(48.60%)d99.99(51.33%) 0.000091454 - 1.802364914
146 RY*(11)C2 s(0.44%)p19.61(8.62%)d99.99(90.94%) 0.000100201 - 2.882444708
147 RY*(12)C2 s(3.66%)p8.93(32.70%)d17.38(63.64%) 0.000082416 - 2.032024213
148 RY*(13)C2 s(0.57%)p64.86(37.01%)d99.99(62.42%) 0.000058236 - 1.983091242
149 RY*(14)C2 s(0.32%)p99.99(49.78%)d99.99(49.90%) 0.000056777 - 1.529316954
150 RY*(15)C2 s(4.48%)p14.77(66.17%)d6.55(29.35%) 0.000029124 - 2.594442666
151 RY*(16)C2 s(10.76%)p3.58(38.50%)d4.71(50.74%) 0.000024058 - 2.296961740
152 RY*(17)C2 s(0.60%)p37.61(22.69%)d99.99(76.70%) 0.000026520 - 3.069185748
153 RY*(18)C2 s(0.33%)p11.67(3.89%)d99.99(95.77%) 0.000003169 - 3.366692437
154 RY*(19)C2 s(0.29%)p99.99(78.47%)d73.61(21.24%) 0.000004351 - 3.027376086
155 RY*(20)C2 s(79.39%)p0.20(15.93%)d0.06(4.68%) 0.000007122 - 1.835403344
156 RY*(21)C2 s(94.24%)p0.05(4.31%)d0.02(1.45%) 0.000000871 - 21.235607856
157 RY*(22)C2 s(1.68%)p15.46(25.94%)d43.16(72.39%) 0.000010764 - 3.137028202
158 RY*(1)C3 s(0.73%)p99.99(92.83%)d8.82(6.44%) 0.003062866 - 0.859412654
159 RY*(2)C3 s(10.64%)p7.69(81.84%)d0.71(7.52%) 0.002425784 - 0.929036994
160 RY*(3)C3 s(0.14%)p99.99(85.55%)d99.50(14.30%) 0.001722418 - 0.876457067
161 RY*(4)C3 s(60.73%)p0.21(12.76%)d0.44(26.51%) 0.000820291 - 1.308918211
162 RY*(5)C3 s(18.32%)p1.71(31.32%)d2.75(50.36%) 0.000390583 - 1.274002089
163 RY*(6)C3 s(2.08%)p10.63(22.15%)d36.35(75.77%) 0.000260782 - 1.789277911
164 RY*(7)C3 s(0.08%)p99.99(43.00%)d99.99(56.91%) 0.000199537 - 1.278626825
165 RY*(8)C3 s(6.84%)p2.14(14.62%)d11.49(78.54%) 0.000182312 - 2.212292572
166 RY*(9)C3 s(5.18%)p11.27(58.35%)d7.05(36.47%) 0.000147593 - 2.597616237
167 RY*(10)C3 s(2.63%)p16.64(43.79%)d20.36(53.58%) 0.000150026 - 1.988367233
168 RY*(11)C3 s(6.77%)p8.54(57.83%)d5.23(35.41%) 0.000090102 - 1.995424684
169 RY*(12)C3 s(5.42%)p11.74(63.70%)d5.69(30.87%) 0.000041138 - 3.407967864
170 RY*(13)C3 s(1.57%)p30.89(48.36%)d31.99(50.08%) 0.000041971 - 1.823779882
171 RY*(14)C3 s(58.84%)p0.28(16.33%)d0.42(24.83%) 0.000015245 - 0.960817966
172 RY*(15)C3 s(8.93%)p2.55(22.75%)d7.65(68.32%) 0.000018153 - 2.308172989
173 RY*(16)C3 s(6.77%)p9.43(63.86%)d4.34(29.37%) 0.000022582 - 1.309803177
174 RY*(17)C3 s(1.85%)p49.93(92.21%)d3.22(5.94%) 0.000005136 - 3.200394636
175 RY*(18)C3 s(5.63%)p4.57(25.70%)d12.20(68.67%) 0.000011395 - 2.008666341
176 RY*(19)C3 s(93.93%)p0.04(4.17%)d0.02(1.90%) 0.000000721 - 22.116282976
177 RY*(20)C3 s(0.51%)p12.21(6.27%)d99.99(93.21%) 0.000009923 - 3.319527321
178 RY*(21)C3 s(1.23%)p2.43(2.99%)d77.77(95.78%) 0.000000836 - 3.198017343
179 RY*(22)C3 s(1.14%)p8.77(10.04%)d77.58(88.81%) 0.000005847 - 3.013303429
180 RY*(1)C4 s(16.77%)p4.96(83.18%)d0.00(0.05%) 0.016615529 - 0.888795647
181 RY*(2)C4 s(3.34%)p22.79(76.04%)d6.18(20.63%) 0.004331473 - 1.617259211
182 RY*(3)C4 s(1.97%)p20.45(40.28%)d29.31(57.75%) 0.001837165 - 2.226283927
183 RY*(4)C4 s(0.02%)p99.99(52.78%)d99.99(47.20%) 0.001456721 - 1.457213104
184 RY*(5)C4 s(10.25%)p3.99(40.87%)d4.77(48.88%) 0.000855220 - 1.903386450
185 RY*(6)C4 s(15.11%)p0.57(8.66%)d5.05(76.23%) 0.000347118 - 1.938320086
186 RY*(7)C4 s(3.80%)p20.09(76.27%)d5.25(19.93%) 0.000264088 - 1.984700488
187 RY*(8)C4 s(53.16%)p0.22(11.54%)d0.66(35.30%) 0.000226863 - 1.609769754
188 RY*(9)C4 s(51.50%)p0.37(19.02%)d0.57(29.49%) 0.000070409 - 7.317751597
189 RY*(10)C4 s(7.12%)p7.52(53.56%)d5.52(39.32%) 0.000035522 - 2.031220476
190 RY*(11)C4 s(13.44%)p4.27(57.34%)d2.17(29.21%) 0.000036333 - 2.324630371
191 RY*(12)C4 s(1.75%)p52.04(91.31%)d3.95(6.93%) 0.000004166 - 3.231426640
192 RY*(13)C4 s(5.63%)p14.06(79.13%)d2.71(15.24%) 0.000007600 - 2.479268885
193 RY*(14)C4 s(5.20%)p14.75(76.65%)d3.49(18.15%) 0.000013012 - 0.851925037
194 RY*(15)C4 s(7.47%)p11.53(86.12%)d0.86(6.41%) 0.000004034 - 3.503081193
195 RY*(16)C4 s(0.14%)p4.08(0.59%)d99.99(99.27%) 0.000004040 - 2.884884968
196 RY*(17)C4 s(24.94%)p0.93(23.31%)d2.07(51.75%) 0.000007856 - 2.453992091
197 RY*(18)C4 s(0.83%)p14.01(11.57%)d99.99(87.60%) 0.000006145 - 2.519554183
198 RY*(19)C4 s(76.17%)p0.05(3.55%)d0.27(20.28%) 0.000002914 - 12.754486091
199 RY*(20)C4 s(0.34%)p1.81(0.62%)d99.99(99.03%) 0.000003325 - 3.030493924
200 RY*(21)C4 s(0.33%)p16.89(5.66%)d99.99(94.01%) 0.000002470 - 3.004774971
201 RY*(22)C4 s(0.68%)p3.45(2.33%)d99.99(96.99%) 0.000002352 - 3.218395875
202 RY*(1)C5 s(5.58%)p16.20(90.46%)d0.71(3.96%) 0.002572097 - 0.815418283
203 RY*(2)C5 s(19.92%)p2.46(49.04%)d1.56(31.03%) 0.001193483 - 0.756513001
204 RY*(3)C5 s(6.98%)p5.93(41.38%)d7.40(51.65%) 0.000356500 - 1.041218012
205 RY*(4)C5 s(0.99%)p25.03(24.68%)d75.41(74.34%) 0.000282441 - 1.027276672
206 RY*(5)C5 s(1.06%)p25.69(27.13%)d67.98(71.81%) 0.000210460 - 1.224658764
207 RY*(6)C5 s(37.72%)p1.49(56.05%)d0.17(6.23%) 0.000098114 - 1.380607031
208 RY*(7)C5 s(2.11%)p24.58(51.86%)d21.82(46.03%) 0.000075119 - 2.473445437
209 RY*(8)C5 s(16.04%)p3.14(50.35%)d2.10(33.61%) 0.000026702 - 1.008836111
210 RY*(9)C5 s(4.07%)p15.52(63.12%)d8.07(32.81%) 0.000017149 - 0.845898485
211 RY*(10)C5 s(62.65%)p0.45(28.39%)d0.14(8.96%) 0.000006062 - 0.828048548
212 RY*(11)C5 s(6.23%)p14.43(89.85%)d0.63(3.92%) 0.000004358 - 0.341907309
213 RY*(12)C5 s(0.38%)p99.99(94.47%)d13.47(5.14%) 0.000001130 - 3.003818951
214 RY*(13)C5 s(98.90%)p0.01(0.92%)d0.00(0.18%) 0.000000075 - 22.946076312
215 RY*(14)C5 s(2.38%)p2.78(6.62%)d38.32(91.01%) 0.000000706 - 3.274904179
216 RY*(15)C5 s(29.50%)p2.16(63.73%)d0.23(6.76%) 0.000007873 - 0.745600331
217 RY*(16)C5 s(0.13%)p99.99(19.80%)d99.99(80.07%) 0.000000819 - 2.823128164
218 RY*(17)C5 s(0.32%)p47.83(15.18%)d99.99(84.50%) 0.000001791 - 1.432957563
219 RY*(18)C5 s(0.31%)p3.20(1.00%)d99.99(98.68%) 0.000000348 - 3.202658981
220 RY*(19)C5 s(0.62%)p99.99(94.58%)d7.77(4.80%) 0.000000511 - 3.024373652
221 RY*(20)C5 s(1.68%)p2.42(4.07%)d56.05(94.25%) 0.000000887 - 3.157719665
222 RY*(21)C5 s(1.31%)p18.34(23.99%)d57.10(74.70%) 0.000002586 - 1.460956299
223 RY*(22)C5 s(1.16%)p3.20(3.72%)d81.81(95.12%) 0.000001552 - 3.135797743
224 RY*(1)H6 s(98.36%)p0.02(1.64%) 0.001488556 - 0.926021596
225 RY*(2)H6 s(54.18%)p0.85(45.82%) 0.000118726 - 2.129333683
226 RY*(3)H6 s(2.73%)p35.68(97.27%) 0.000117728 - 1.916670747
227 RY*(4)H6 s(21.84%)p3.58(78.16%) 0.000080044 - 2.221464605
228 RY*(5)H6 s(22.93%)p3.36(77.07%) 0.000029169 - 2.340676194
229 RY*(1)H7 s(94.22%)p0.06(5.78%) 0.000848494 - 0.768140447
230 RY*(2)H7 s(20.82%)p3.80(79.18%) 0.000126376 - 1.923562666
231 RY*(3)H7 s(2.11%)p46.30(97.89%) 0.000112861 - 1.952352265
232 RY*(4)H7 s(78.18%)p0.28(21.82%) 0.000063034 - 2.242274680
233 RY*(5)H7 s(4.68%)p20.36(95.32%) 0.000025591 - 2.600923597
234 RY*(1)H8 s(96.48%)p0.04(3.52%) 0.000849391 - 0.702582462
235 RY*(2)H8 s(5.24%)p18.08(94.76%) 0.000124020 - 1.956375087
236 RY*(3)H8 s(17.50%)p4.72(82.50%) 0.000109238 - 1.981414780
237 RY*(4)H8 s(77.18%)p0.30(22.82%) 0.000067526 - 2.237472462
238 RY*(5)H8 s(3.63%)p26.58(96.37%) 0.000031695 - 2.628543522
239 RY*(1)O9 s(2.71%)p35.35(95.94%)d0.50(1.35%) 0.004894393 - 0.805206671
240 RY*(2)O9 s(22.91%)p3.17(72.73%)d0.19(4.36%) 0.000733604 - 0.769845688
241 RY*(3)O9 s(29.34%)p2.30(67.57%)d0.11(3.09%) 0.000649712 - 0.820969017
242 RY*(4)O9 s(20.09%)p1.70(34.07%)d2.28(45.85%) 0.000237421 - 1.635924452
243 RY*(5)O9 s(16.20%)p1.67(27.08%)d3.50(56.72%) 0.000098877 - 1.673553904
244 RY*(6)O9 s(16.69%)p1.61(26.91%)d3.38(56.39%) 0.000077022 - 2.480455910
245 RY*(7)O9 s(1.21%)p21.04(25.46%)d60.60(73.33%) 0.000047382 - 2.098418906
246 RY*(8)O9 s(11.13%)p5.41(60.25%)d2.57(28.62%) 0.000043448 - 2.246493516
247 RY*(9)O9 s(18.31%)p3.95(72.37%)d0.51(9.32%) 0.000012840 - 1.302538810
248 RY*(10)O9 s(48.38%)p0.81(39.30%)d0.25(12.32%) 0.000010783 - 1.345554503
249 RY*(11)O9 s(6.82%)p2.39(16.30%)d11.27(76.88%) 0.000013490 - 2.504625599
250 RY*(12)O9 s(1.97%)p43.57(85.86%)d6.17(12.17%) 0.000014386 - 1.140770360
251 RY*(13)O9 s(0.36%)p99.99(71.98%)d75.89(27.65%) 0.000001140 - 3.911987149
252 RY*(14)O9 s(0.33%)p4.71(1.58%)d99.99(98.09%) 0.000000062 - 6.437143810
253 RY*(15)O9 s(99.84%)p0.00(0.12%)d0.00(0.04%) 0.000000029 - 49.448199624
254 RY*(16)O9 s(0.25%)p5.35(1.32%)d99.99(98.44%) 0.000000103 - 6.529962254
255 RY*(17)O9 s(1.67%)p58.36(97.46%)d0.52(0.87%) 0.000000918 - 4.994657177
256 RY*(18)O9 s(0.77%)p3.07(2.37%)d99.99(96.86%) 0.000000383 - 6.693775259
257 RY*(19)O9 s(0.02%)p99.99(92.28%)d99.99(7.70%) 0.000000160 - 4.619034166
258 RY*(20)O9 s(0.76%)p1.56(1.20%)d99.99(98.04%) 0.000000356 - 6.705918443
259 RY*(21)O9 s(0.25%)p26.95(6.81%)d99.99(92.94%) 0.000004428 - 1.793313441
260 RY*(22)O9 s(0.01%)p99.99(2.27%)d99.99(97.72%) 0.000000193 - 6.655422194
261 RY*(1)H10 s(96.93%)p0.03(3.07%) 0.000908527 - 1.195018623
262 RY*(2)H10 s(61.33%)p0.63(38.67%) 0.000174017 - 1.976440734
263 RY*(3)H10 s(0.39%)p99.99(99.61%) 0.000173344 - 2.262080530
264 RY*(4)H10 s(38.42%)p1.60(61.58%) 0.000070734 - 2.092207845
265 RY*(5)H10 s(2.96%)p32.84(97.04%) 0.000037711 - 2.791670762
266 RY*(1)H11 s(98.56%)p0.01(1.44%) 0.001111827 - 1.128503587
267 RY*(2)H11 s(80.41%)p0.24(19.59%) 0.000310708 - 1.924592235
268 RY*(3)H11 s(5.44%)p17.37(94.56%) 0.000178071 - 2.207655582
269 RY*(4)H11 s(14.26%)p6.01(85.74%) 0.000098251 - 2.159615291
270 RY*(5)H11 s(1.35%)p72.90(98.65%) 0.000047461 - 2.831514480
271 RY*(1)H12 s(98.25%)p0.02(1.75%) 0.001133099 - 1.313473836
272 RY*(2)H12 s(92.22%)p0.08(7.78%) 0.000304052 - 1.933473104
273 RY*(3)H12 s(6.53%)p14.31(93.47%) 0.000159738 - 2.372543793
274 RY*(4)H12 s(1.45%)p68.19(98.55%) 0.000112001 - 2.216029634
275 RY*(5)H12 s(1.58%)p62.37(98.42%) 0.000045106 - 2.966426797
276 RY*(1)H13 s(98.93%)p0.01(1.07%) 0.001631330 - 0.588732895
277 RY*(2)H13 s(75.98%)p0.32(24.02%) 0.000293840 - 2.303828916
278 RY*(3)H13 s(0.54%)p99.99(99.46%) 0.000161110 - 2.396349739
279 RY*(4)H13 s(21.64%)p3.62(78.36%) 0.000080636 - 2.314802105
280 RY*(5)H13 s(2.92%)p33.26(97.08%) 0.000040500 - 3.028941344
281 RY*(1)C14 s(10.66%)p7.84(83.59%)d0.54(5.75%) 0.007849289 - 1.333787726
282 RY*(2)C14 s(0.28%)p99.99(96.66%)d10.90(3.06%) 0.004699182 - 1.086607413
283 RY*(3)C14 s(12.01%)p6.78(81.37%)d0.55(6.62%) 0.003525110 - 0.958336802
284 RY*(4)C14 s(27.74%)p1.69(46.88%)d0.92(25.38%) 0.001602140 - 1.136461105
285 RY*(5)C14 s(38.23%)p0.96(36.66%)d0.66(25.11%) 0.001087099 - 1.515551589
286 RY*(6)C14 s(2.12%)p37.28(78.94%)d8.95(18.95%) 0.001086334 - 1.262480294
287 RY*(7)C14 s(53.42%)p0.65(34.61%)d0.22(11.98%) 0.000895435 - 1.238721369
288 RY*(8)C14 s(4.74%)p5.97(28.25%)d14.15(67.01%) 0.000676417 - 2.721586769
289 RY*(9)C14 s(33.60%)p1.42(47.78%)d0.55(18.62%) 0.000549338 - 1.555946285
290 RY*(10)C14 s(1.02%)p15.53(15.89%)d81.25(83.09%) 0.000356446 - 2.509367577
291 RY*(11)C14 s(2.00%)p6.71(13.38%)d42.41(84.62%) 0.000306948 - 2.090432512
292 RY*(12)C14 s(2.53%)p12.21(30.83%)d26.39(66.64%) 0.000229465 - 2.055675638
293 RY*(13)C14 s(5.31%)p2.92(15.54%)d14.89(79.15%) 0.000203013 - 2.897064708
294 RY*(14)C14 s(1.42%)p25.87(36.86%)d43.32(61.72%) 0.000158454 - 2.744300261
295 RY*(15)C14 s(3.17%)p4.11(13.01%)d26.47(83.82%) 0.000080894 - 3.352896367
296 RY*(16)C14 s(0.25%)p99.99(25.86%)d99.99(73.90%) 0.000053925 - 3.076312081
297 RY*(17)C14 s(2.16%)p6.11(13.21%)d39.14(84.63%) 0.000050079 - 2.237061328
298 RY*(18)C14 s(2.11%)p20.71(43.66%)d25.72(54.23%) 0.000032177 - 3.741917927
299 RY*(19)C14 s(0.26%)p99.99(98.27%)d5.80(1.48%) 0.000003118 - 2.983741112
300 RY*(20)C14 s(5.27%)p8.04(42.36%)d9.94(52.37%) 0.000009393 - 3.493835690
301 RY*(21)C14 s(90.35%)p0.02(1.61%)d0.09(8.04%) 0.000008064 - 19.021389190
302 RY*(22)C14 s(1.47%)p10.12(14.93%)d56.68(83.59%) 0.000008156 - 3.715348023
303 RY*(1)C15 s(0.09%)p99.99(90.40%)d99.99(9.51%) 0.005889999 - 1.350950126
304 RY*(2)C15 s(0.67%)p99.99(96.47%)d4.24(2.86%) 0.001851694 - 1.464984915
305 RY*(3)C15 s(0.21%)p99.99(79.07%)d96.49(20.71%) 0.001307967 - 0.664061930
306 RY*(4)C15 s(41.57%)p0.24(10.11%)d1.16(48.33%) 0.000770116 - 2.043595318
307 RY*(5)C15 s(0.05%)p99.99(33.87%)d99.99(66.08%) 0.000530342 - 1.912259190
308 RY*(6)C15 s(10.35%)p3.71(38.36%)d4.96(51.29%) 0.000427177 - 2.007363566
309 RY*(7)C15 s(37.21%)p0.20(7.34%)d1.49(55.45%) 0.000216886 - 1.328232932
310 RY*(8)C15 s(5.34%)p1.15(6.13%)d16.56(88.52%) 0.000151973 - 2.592122290
311 RY*(9)C15 s(16.08%)p4.21(67.74%)d1.01(16.18%) 0.000106498 - 2.285419132
312 RY*(10)C15 s(1.29%)p43.39(56.18%)d32.85(42.53%) 0.000059055 - 2.003098120
313 RY*(11)C15 s(1.00%)p35.51(35.36%)d63.91(63.65%) 0.000043967 - 1.490090608
314 RY*(12)C15 s(3.42%)p6.33(21.63%)d21.92(74.95%) 0.000050438 - 2.540906471
315 RY*(13)C15 s(2.40%)p6.92(16.59%)d33.80(81.01%) 0.000042405 - 2.649965353
316 RY*(14)C15 s(2.81%)p25.66(72.00%)d8.98(25.20%) 0.000011128 - 1.506451290
317 RY*(15)C15 s(6.43%)p8.72(56.02%)d5.84(37.55%) 0.000010884 - 2.137999130
318 RY*(16)C15 s(3.72%)p16.16(60.12%)d9.72(36.16%) 0.000013777 - 2.602352166
319 RY*(17)C15 s(1.56%)p15.71(24.58%)d47.20(73.86%) 0.000013977 - 2.605569048
320 RY*(18)C15 s(1.29%)p5.92(7.61%)d70.87(91.10%) 0.000005010 - 3.326882070
321 RY*(19)C15 s(8.42%)p9.93(83.58%)d0.95(7.99%) 0.000010831 - 2.773167160
322 RY*(20)C15 s(0.06%)p37.78(2.45%)d99.99(97.49%) 0.000000419 - 3.324398652
323 RY*(21)C15 s(60.83%)p0.54(32.60%)d0.11(6.57%) 0.000005549 - 2.238399798
324 RY*(22)C15 s(95.34%)p0.02(1.92%)d0.03(2.74%) 0.000003403 - 18.834343211
325 RY*(1)C16 s(0.64%)p99.99(89.51%)d15.40(9.85%) 0.006717345 - 1.245771324
326 RY*(2)C16 s(0.12%)p99.99(99.79%)d0.79(0.09%) 0.002109553 - 1.309377092
327 RY*(3)C16 s(0.09%)p99.99(84.51%)d99.99(15.40%) 0.001180738 - 0.442401448
328 RY*(4)C16 s(56.09%)p0.07(3.76%)d0.72(40.15%) 0.000794273 - 1.931494181
329 RY*(5)C16 s(2.00%)p16.97(33.99%)d31.97(64.01%) 0.000488546 - 1.958871003
330 RY*(6)C16 s(1.11%)p3.16(3.52%)d85.63(95.37%) 0.000384055 - 2.806440239
331 RY*(7)C16 s(13.45%)p0.49(6.65%)d5.94(79.90%) 0.000131462 - 2.044118607
332 RY*(8)C16 s(29.06%)p1.56(45.45%)d0.88(25.49%) 0.000106990 - 3.442469581
333 RY*(9)C16 s(28.44%)p0.43(12.36%)d2.08(59.20%) 0.000065219 - 2.051272300
334 RY*(10)C16 s(19.95%)p3.64(72.67%)d0.37(7.39%) 0.000060314 - 1.330182518
335 RY*(11)C16 s(7.67%)p2.41(18.49%)d9.62(73.84%) 0.000033713 - 3.070196798
336 RY*(12)C16 s(20.26%)p3.66(74.16%)d0.28(5.58%) 0.000017736 - 0.833056189
337 RY*(13)C16 s(0.40%)p25.88(10.38%)d99.99(89.22%) 0.000008580 - 1.621935277
338 RY*(14)C16 s(6.74%)p7.01(47.24%)d6.83(46.02%) 0.000014252 - 3.677694024
339 RY*(15)C16 s(4.51%)p4.12(18.58%)d17.04(76.90%) 0.000011091 - 1.998035617
340 RY*(16)C16 s(2.13%)p43.55(92.79%)d2.38(5.08%) 0.000005355 - 2.948047451
341 RY*(17)C16 s(3.22%)p26.88(86.62%)d3.15(10.15%) 0.000003947 - 2.915213404
342 RY*(18)C16 s(8.01%)p1.10(8.80%)d10.39(83.19%) 0.000008356 - 4.221841135
343 RY*(19)C16 s(23.47%)p2.98(69.90%)d0.28(6.63%) 0.000010532 - 0.648684457
344 RY*(20)C16 s(1.35%)p5.39(7.26%)d67.86(91.39%) 0.000010025 - 3.280210459
345 RY*(21)C16 s(71.08%)p0.15(10.57%)d0.26(18.35%) 0.000000940 - 15.646301841
346 RY*(22)C16 s(0.34%)p9.36(3.16%)d99.99(96.50%) 0.000005960 - 3.071585692
347 RY*(1)C17 s(1.10%)p80.72(89.18%)d8.80(9.72%) 0.006262146 - 1.278758507
348 RY*(2)C17 s(0.01%)p1.00(99.67%)d0.00(0.32%) 0.002164156 - 1.325214327
349 RY*(3)C17 s(0.00%)p1.00(84.49%)d0.18(15.51%) 0.001183219 - 0.403435213
350 RY*(4)C17 s(48.38%)p0.05(2.35%)d1.02(49.28%) 0.000789693 - 1.896357577
351 RY*(5)C17 s(0.04%)p99.99(52.07%)d99.99(47.90%) 0.000618043 - 1.461079135
352 RY*(6)C17 s(0.05%)p26.64(1.23%)d99.99(98.72%) 0.000369632 - 2.985731157
353 RY*(7)C17 s(31.18%)p0.21(6.49%)d2.00(62.32%) 0.000131481 - 1.445017041
354 RY*(8)C17 s(34.62%)p0.91(31.57%)d0.98(33.81%) 0.000106788 - 3.819209801
355 RY*(9)C17 s(1.73%)p48.27(83.38%)d8.62(14.90%) 0.000058643 - 2.319956610
356 RY*(10)C17 s(10.31%)p0.75(7.73%)d7.95(81.96%) 0.000038153 - 3.066608470
357 RY*(11)C17 s(17.53%)p1.81(31.70%)d2.90(50.76%) 0.000011474 - 2.307970493
358 RY*(12)C17 s(0.54%)p47.05(25.44%)d99.99(74.02%) 0.000015891 - 2.656127393
359 RY*(13)C17 s(5.67%)p5.62(31.85%)d11.02(62.48%) 0.000008654 - 1.579467080
360 RY*(14)C17 s(6.20%)p13.37(82.96%)d1.75(10.84%) 0.000010747 - 1.460196069
361 RY*(15)C17 s(16.42%)p1.28(20.97%)d3.81(62.61%) 0.000009639 - 1.424642987
362 RY*(16)C17 s(6.63%)p1.15(7.61%)d12.93(85.76%) 0.000003334 - 2.367943776
363 RY*(17)C17 s(19.46%)p3.50(68.05%)d0.64(12.49%) 0.000013175 - 3.364523439
364 RY*(18)C17 s(0.70%)p6.74(4.74%)d99.99(94.56%) 0.000006947 - 3.219415146
365 RY*(19)C17 s(10.45%)p6.09(63.67%)d2.48(25.88%) 0.000002319 - 1.790132312
366 RY*(20)C17 s(3.42%)p27.17(92.82%)d1.10(3.77%) 0.000001935 - 2.269467777
367 RY*(21)C17 s(85.29%)p0.11(9.76%)d0.06(4.94%) 0.000000608 - 18.312199165
368 RY*(22)C17 s(0.40%)p6.03(2.44%)d99.99(97.16%) 0.000001797 - 1.600981194
369 RY*(1)C18 s(0.55%)p99.99(88.81%)d19.45(10.64%) 0.006529071 - 1.251988790
370 RY*(2)C18 s(0.16%)p99.99(99.79%)d0.26(0.04%) 0.002127414 - 1.323040672
371 RY*(3)C18 s(0.25%)p99.99(84.80%)d58.89(14.95%) 0.001145907 - 0.425323962
372 RY*(4)C18 s(56.15%)p0.08(4.58%)d0.70(39.27%) 0.000769370 - 1.980229022
373 RY*(5)C18 s(1.66%)p20.85(34.60%)d38.41(63.74%) 0.000467825 - 1.948367302
374 RY*(6)C18 s(0.24%)p27.07(6.52%)d99.99(93.23%) 0.000389775 - 2.656351849
375 RY*(7)C18 s(11.01%)p0.77(8.46%)d7.31(80.53%) 0.000129173 - 2.312693117
376 RY*(8)C18 s(25.23%)p1.43(36.06%)d1.53(38.71%) 0.000109731 - 3.013226087
377 RY*(9)C18 s(4.71%)p11.97(56.32%)d8.28(38.97%) 0.000077633 - 1.749934826
378 RY*(10)C18 s(10.37%)p3.41(35.36%)d5.23(54.26%) 0.000049845 - 2.068968252
379 RY*(11)C18 s(32.36%)p0.66(21.34%)d1.43(46.30%) 0.000047018 - 1.767840655
380 RY*(12)C18 s(5.50%)p6.53(35.90%)d10.66(58.61%) 0.000032544 - 2.934981132
381 RY*(13)C18 s(83.40%)p0.03(2.51%)d0.17(14.10%) 0.000001419 - 17.717912399
382 RY*(14)C18 s(9.06%)p2.99(27.09%)d7.05(63.85%) 0.000007514 - 2.589277200
383 RY*(15)C18 s(3.49%)p23.54(82.05%)d4.15(14.46%) 0.000009523 - 1.995693970
384 RY*(16)C18 s(2.86%)p24.86(71.20%)d9.06(25.94%) 0.000011030 - 1.655860307
385 RY*(17)C18 s(1.39%)p20.75(28.77%)d50.36(69.84%) 0.000010968 - 1.943528699
386 RY*(18)C18 s(15.85%)p0.34(5.46%)d4.96(78.68%) 0.000001820 - 4.551998910
387 RY*(19)C18 s(0.14%)p99.99(28.30%)d99.99(71.56%) 0.000006226 - 2.231375029
388 RY*(20)C18 s(34.15%)p1.25(42.62%)d0.68(23.24%) 0.000006818 - 1.144275153
389 RY*(21)C18 s(1.26%)p75.08(94.29%)d3.55(4.46%) 0.000005549 - 2.769890014
390 RY*(22)C18 s(0.36%)p14.65(5.31%)d99.99(94.32%) 0.000002898 - 2.426397832
391 RY*(1)C19 s(0.04%)p99.99(92.18%)d99.99(7.78%) 0.006507663 - 1.343904160
392 RY*(2)C19 s(0.11%)p99.99(94.75%)d47.60(5.14%) 0.002537626 - 1.074628911
393 RY*(3)C19 s(0.38%)p99.99(81.04%)d48.81(18.58%) 0.001136744 - 0.817854901
394 RY*(4)C19 s(57.52%)p0.09(4.94%)d0.65(37.54%) 0.000810947 - 1.763540475
395 RY*(5)C19 s(3.34%)p11.21(37.43%)d17.74(59.23%) 0.000513516 - 2.277202259
396 RY*(6)C19 s(2.21%)p18.50(40.86%)d25.77(56.93%) 0.000459134 - 2.112872900
397 RY*(7)C19 s(27.02%)p0.35(9.36%)d2.35(63.62%) 0.000304611 - 1.586463571
398 RY*(8)C19 s(4.21%)p9.95(41.93%)d12.78(53.85%) 0.000187408 - 2.289794826
399 RY*(9)C19 s(1.67%)p24.85(41.40%)d34.18(56.94%) 0.000107424 - 2.063456723
400 RY*(10)C19 s(3.18%)p5.62(17.90%)d24.80(78.92%) 0.000070134 - 1.312157049
401 RY*(11)C19 s(7.67%)p7.10(54.49%)d4.93(37.83%) 0.000049322 - 2.702364240
402 RY*(12)C19 s(7.57%)p2.28(17.25%)d9.94(75.19%) 0.000051958 - 2.872414780
403 RY*(13)C19 s(3.41%)p9.18(31.28%)d19.16(65.31%) 0.000028384 - 2.761098836
404 RY*(14)C19 s(6.46%)p7.89(50.92%)d6.60(42.63%) 0.000015289 - 2.935220352
405 RY*(15)C19 s(11.19%)p7.57(84.74%)d0.36(4.07%) 0.000013256 - 4.722529929
406 RY*(16)C19 s(0.55%)p99.99(64.49%)d63.93(34.96%) 0.000022031 - 1.444181397
407 RY*(17)C19 s(66.61%)p0.31(20.91%)d0.19(12.48%) 0.000003321 - 3.781803788
408 RY*(18)C19 s(0.09%)p99.99(9.63%)d99.99(90.28%) 0.000003581 - 3.064313108
409 RY*(19)C19 s(19.37%)p3.89(75.28%)d0.28(5.35%) 0.000010462 - 3.376609203
410 RY*(20)C19 s(2.62%)p2.32(6.09%)d34.79(91.28%) 0.000007991 - 2.525281648
411 RY*(21)C19 s(74.84%)p0.29(21.81%)d0.04(3.34%) 0.000001557 - 13.840393932
412 RY*(22)C19 s(0.08%)p18.14(1.46%)d99.99(98.46%) 0.000001849 - 3.297543921
413 RY*(1)H20 s(98.91%)p0.01(1.09%) 0.000646499 - 1.699122078
414 RY*(2)H20 s(18.00%)p4.56(82.00%) 0.000211083 - 1.911354552
415 RY*(3)H20 s(64.82%)p0.54(35.18%) 0.000157917 - 1.893533244
416 RY*(4)H20 s(8.37%)p10.95(91.63%) 0.000050234 - 2.684008430
417 RY*(5)H20 s(9.94%)p9.06(90.06%) 0.000049977 - 2.584898009
418 RY*(1)H21 s(99.36%)p0.01(0.64%) 0.000543116 - 1.139028273
419 RY*(2)H21 s(5.35%)p17.70(94.65%) 0.000210557 - 1.930544493
420 RY*(3)H21 s(88.74%)p0.13(11.26%) 0.000164606 - 2.100138742
421 RY*(4)H21 s(3.66%)p26.36(96.34%) 0.000051093 - 2.614705688
422 RY*(5)H21 s(2.94%)p32.99(97.06%) 0.000047271 - 2.675582484
423 RY*(1)H22 s(98.70%)p0.01(1.30%) 0.000437108 - 1.173752489
424 RY*(2)H22 s(0.79%)p99.99(99.21%) 0.000215657 - 1.920827144
425 RY*(3)H22 s(92.95%)p0.08(7.05%) 0.000170187 - 2.111830385
426 RY*(4)H22 s(1.01%)p98.37(98.99%) 0.000047642 - 2.563719573
427 RY*(5)H22 s(6.60%)p14.16(93.40%) 0.000043743 - 2.655819988
428 RY*(1)H23 s(99.12%)p0.01(0.88%) 0.000531008 - 1.160321965
429 RY*(2)H23 s(1.92%)p51.08(98.08%) 0.000211812 - 1.922964081
430 RY*(3)H23 s(92.88%)p0.08(7.12%) 0.000162865 - 2.102328487
431 RY*(4)H23 s(0.20%)p99.99(99.80%) 0.000055170 - 2.568994269
432 RY*(5)H23 s(5.93%)p15.87(94.07%) 0.000042625 - 2.722553318
433 RY*(1)H24 s(99.51%)p0.00(0.49%) 0.000537639 - 1.601677344
434 RY*(2)H24 s(5.00%)p18.99(95.00%) 0.000223922 - 1.962674312
435 RY*(3)H24 s(83.11%)p0.20(16.89%) 0.000151865 - 1.830415674
436 RY*(4)H24 s(11.82%)p7.46(88.18%) 0.000053618 - 2.555988000
437 RY*(5)H24 s(0.59%)p99.99(99.41%) 0.000052938 - 2.774224988
438 RY*(1)C25 s(7.92%)p10.95(86.75%)d0.67(5.32%) 0.008318146 - 1.213780465
439 RY*(2)C25 s(6.39%)p14.11(90.10%)d0.55(3.51%) 0.004915158 - 1.159581313
440 RY*(3)C25 s(0.30%)p99.99(96.57%)d10.39(3.13%) 0.003235912 - 0.775730293
441 RY*(4)C25 s(50.23%)p0.91(45.64%)d0.08(4.14%) 0.002065824 - 0.963857529
442 RY*(5)C25 s(38.09%)p0.87(33.13%)d0.76(28.78%) 0.001299302 - 1.853474349
443 RY*(6)C25 s(21.43%)p3.17(67.85%)d0.50(10.72%) 0.001114108 - 1.043845033
444 RY*(7)C25 s(53.75%)p0.47(25.30%)d0.39(20.94%) 0.000955392 - 1.448838314
445 RY*(8)C25 s(1.69%)p42.97(72.59%)d15.22(25.72%) 0.000748189 - 1.174822904
446 RY*(9)C25 s(2.85%)p5.25(14.97%)d28.80(82.17%) 0.000551381 - 3.102613393
447 RY*(10)C25 s(1.71%)p11.53(19.75%)d45.84(78.53%) 0.000427658 - 2.748860101
448 RY*(11)C25 s(0.65%)p15.17(9.81%)d99.99(89.54%) 0.000317309 - 1.495850877
449 RY*(12)C25 s(6.95%)p4.55(31.67%)d8.83(61.38%) 0.000241939 - 2.063160985
450 RY*(13)C25 s(2.74%)p8.31(22.76%)d27.19(74.50%) 0.000162739 - 2.961318684
451 RY*(14)C25 s(1.37%)p18.00(24.71%)d53.85(73.92%) 0.000103457 - 2.967566275
452 RY*(15)C25 s(1.65%)p14.42(23.76%)d45.28(74.60%) 0.000106367 - 2.705495308
453 RY*(16)C25 s(2.26%)p4.50(10.15%)d38.84(87.60%) 0.000086745 - 2.724427281
454 RY*(17)C25 s(4.01%)p12.18(48.80%)d11.78(47.19%) 0.000057696 - 4.340399214
455 RY*(18)C25 s(0.37%)p9.38(3.45%)d99.99(96.18%) 0.000038334 - 2.581701895
456 RY*(19)C25 s(32.33%)p1.65(53.21%)d0.45(14.45%) 0.000033899 - 7.243333873
457 RY*(20)C25 s(60.90%)p0.34(20.75%)d0.30(18.35%) 0.000016563 - 14.486770310
458 RY*(21)C25 s(1.14%)p84.83(96.79%)d1.81(2.07%) 0.000008050 - 3.111903578
459 RY*(22)C25 s(1.35%)p1.19(1.61%)d71.63(97.04%) 0.000005573 - 3.569973992
460 RY*(1)C26 s(0.05%)p99.99(91.79%)d99.99(8.16%) 0.006551846 - 1.376209034
461 RY*(2)C26 s(0.09%)p99.99(95.65%)d47.91(4.26%) 0.002567781 - 1.123389412
462 RY*(3)C26 s(0.29%)p99.99(80.78%)d66.23(18.93%) 0.001282689 - 0.677527238
463 RY*(4)C26 s(52.69%)p0.12(6.39%)d0.78(40.91%) 0.000775640 - 1.999328841
464 RY*(5)C26 s(0.32%)p99.99(37.22%)d99.99(62.47%) 0.000490912 - 1.931847977
465 RY*(6)C26 s(10.81%)p3.66(39.59%)d4.59(49.60%) 0.000396718 - 2.551093698
466 RY*(7)C26 s(21.96%)p0.31(6.83%)d3.24(71.20%) 0.000280556 - 1.879352204
467 RY*(8)C26 s(10.67%)p1.69(18.00%)d6.68(71.33%) 0.000184977 - 2.085339240
468 RY*(9)C26 s(7.90%)p5.47(43.25%)d6.18(48.85%) 0.000088405 - 2.447366308
469 RY*(10)C26 s(6.09%)p6.67(40.63%)d8.75(53.29%) 0.000038094 - 3.500794467
470 RY*(11)C26 s(1.22%)p21.85(26.58%)d59.36(72.20%) 0.000039626 - 1.095112403
471 RY*(12)C26 s(0.57%)p99.99(69.59%)d51.98(29.84%) 0.000039898 - 1.833985402
472 RY*(13)C26 s(0.48%)p79.58(38.32%)d99.99(61.20%) 0.000015235 - 0.923150170
473 RY*(14)C26 s(0.51%)p50.76(25.76%)d99.99(73.73%) 0.000024259 - 2.724583896
474 RY*(15)C26 s(96.53%)p0.02(1.46%)d0.02(2.00%) 0.000004131 - 14.405936931
475 RY*(16)C26 s(6.72%)p6.79(45.64%)d7.08(47.63%) 0.000011920 - 2.566480370
476 RY*(17)C26 s(0.05%)p99.99(63.42%)d99.99(36.53%) 0.000005859 - 2.811564578
477 RY*(18)C26 s(1.36%)p30.15(40.98%)d42.42(57.66%) 0.000011235 - 2.504131452
478 RY*(19)C26 s(4.74%)p18.64(88.39%)d1.45(6.87%) 0.000008282 - 2.770781970
479 RY*(20)C26 s(0.05%)p99.99(17.68%)d99.99(82.27%) 0.000010133 - 3.394330446
480 RY*(21)C26 s(76.73%)p0.28(21.32%)d0.03(1.95%) 0.000003668 - 6.011542324
481 RY*(22)C26 s(0.31%)p2.92(0.89%)d99.99(98.80%) 0.000000338 - 3.414169207
482 RY*(1)C27 s(0.52%)p99.99(89.09%)d19.80(10.39%) 0.006451052 - 1.258045122
483 RY*(2)C27 s(0.24%)p99.99(99.70%)d0.24(0.06%) 0.002126002 - 1.311698809
484 RY*(3)C27 s(0.07%)p99.99(84.02%)d99.99(15.91%) 0.001163615 - 0.437841889
485 RY*(4)C27 s(55.69%)p0.05(2.73%)d0.75(41.58%) 0.000756637 - 1.966189990
486 RY*(5)C27 s(1.27%)p28.01(35.52%)d49.84(63.21%) 0.000479396 - 1.944599120
487 RY*(6)C27 s(0.40%)p16.85(6.73%)d99.99(92.87%) 0.000405483 - 2.765156077
488 RY*(7)C27 s(15.52%)p0.49(7.65%)d4.95(76.83%) 0.000135401 - 1.980639861
489 RY*(8)C27 s(23.19%)p1.71(39.75%)d1.60(37.06%) 0.000091616 - 4.660742867
490 RY*(9)C27 s(3.86%)p17.80(68.69%)d7.12(27.46%) 0.000071435 - 1.808904908
491 RY*(10)C27 s(15.35%)p0.89(13.59%)d4.63(71.06%) 0.000041099 - 2.820411120
492 RY*(11)C27 s(2.28%)p39.33(89.76%)d3.49(7.96%) 0.000047461 - 0.792909006
493 RY*(12)C27 s(3.46%)p5.69(19.72%)d22.17(76.82%) 0.000021269 - 3.137782516
494 RY*(13)C27 s(1.67%)p11.73(19.54%)d47.30(78.79%) 0.000024144 - 1.221429230
495 RY*(14)C27 s(0.15%)p99.99(65.35%)d99.99(34.50%) 0.000002712 - 1.349688754
496 RY*(15)C27 s(4.05%)p19.22(77.86%)d4.47(18.09%) 0.000011934 - 1.355690830
497 RY*(16)C27 s(0.02%)p99.99(3.00%)d99.99(96.97%) 0.000001175 - 2.284261709
498 RY*(17)C27 s(91.60%)p0.04(3.36%)d0.06(5.04%) 0.000002067 - 18.267763181
499 RY*(18)C27 s(0.59%)p99.99(92.36%)d12.03(7.05%) 0.000001389 - 2.754736260
500 RY*(19)C27 s(0.05%)p99.92(5.01%)d99.99(94.94%) 0.000001026 - 2.528045738
501 RY*(20)C27 s(1.22%)p6.61(8.08%)d74.20(90.70%) 0.000002524 - 3.370417674
502 RY*(21)C27 s(7.13%)p8.94(63.71%)d4.09(29.16%) 0.000009272 - 2.868901783
503 RY*(22)C27 s(71.81%)p0.07(4.93%)d0.32(23.26%) 0.000008256 - 1.799730422
504 RY*(1)C28 s(1.04%)p85.98(89.25%)d9.35(9.71%) 0.006278909 - 1.274663244
505 RY*(2)C28 s(0.02%)p99.99(99.59%)d24.64(0.39%) 0.002183450 - 1.332626165
506 RY*(3)C28 s(0.11%)p99.99(84.78%)d99.99(15.12%) 0.001270642 - 0.406583086
507 RY*(4)C28 s(49.49%)p0.05(2.72%)d0.97(47.79%) 0.000816229 - 1.870909759
508 RY*(5)C28 s(0.17%)p99.99(48.50%)d99.99(51.33%) 0.000596361 - 1.553413799
509 RY*(6)C28 s(0.19%)p16.57(3.19%)d99.99(96.62%) 0.000371039 - 2.968540188
510 RY*(7)C28 s(33.29%)p0.29(9.67%)d1.71(57.04%) 0.000130531 - 1.533627209
511 RY*(8)C28 s(25.26%)p1.16(29.25%)d1.80(45.49%) 0.000106872 - 3.898173883
512 RY*(9)C28 s(4.19%)p15.84(66.33%)d7.04(29.49%) 0.000051852 - 2.697662609
513 RY*(10)C28 s(34.69%)p0.85(29.56%)d1.03(35.74%) 0.000032455 - 1.530309913
514 RY*(11)C28 s(3.50%)p9.05(31.72%)d18.48(64.78%) 0.000022671 - 2.674024731
515 RY*(12)C28 s(38.68%)p1.38(53.37%)d0.21(7.95%) 0.000006309 - 2.157270467
516 RY*(13)C28 s(4.77%)p8.69(41.47%)d11.27(53.76%) 0.000015904 - 2.686963553
517 RY*(14)C28 s(6.56%)p9.15(60.01%)d5.10(33.43%) 0.000015047 - 2.009160998
518 RY*(15)C28 s(7.83%)p10.91(85.45%)d0.86(6.72%) 0.000007132 - 2.323826016
519 RY*(16)C28 s(13.45%)p2.22(29.85%)d4.21(56.70%) 0.000013774 - 4.464859312
520 RY*(17)C28 s(0.27%)p99.99(99.41%)d1.16(0.31%) 0.000000449 - 2.760543491
521 RY*(18)C28 s(70.49%)p0.19(13.56%)d0.23(15.95%) 0.000001347 - 14.037717301
522 RY*(19)C28 s(0.12%)p99.99(13.21%)d99.99(86.66%) 0.000000781 - 1.390010173
523 RY*(20)C28 s(4.30%)p1.38(5.94%)d20.90(89.76%) 0.000001134 - 4.026060026
524 RY*(21)C28 s(1.49%)p1.24(1.85%)d64.87(96.66%) 0.000000308 - 3.273473607
525 RY*(22)C28 s(0.23%)p6.53(1.48%)d99.99(98.29%) 0.000000822 - 1.539376241
526 RY*(1)C29 s(0.53%)p99.99(89.60%)d18.56(9.87%) 0.006481730 - 1.250476012
527 RY*(2)C29 s(0.36%)p99.99(99.60%)d0.12(0.04%) 0.002144825 - 1.290640210
528 RY*(3)C29 s(0.00%)p1.00(84.46%)d0.18(15.54%) 0.001305594 - 0.443053870
529 RY*(4)C29 s(54.29%)p0.08(4.19%)d0.76(41.52%) 0.000758204 - 2.015403152
530 RY*(5)C29 s(6.00%)p5.05(30.34%)d10.60(63.66%) 0.000409112 - 2.028207233
531 RY*(6)C29 s(1.12%)p7.96(8.90%)d80.49(89.99%) 0.000390706 - 2.666567661
532 RY*(7)C29 s(12.90%)p0.47(6.04%)d6.29(81.06%) 0.000144042 - 2.143921475
533 RY*(8)C29 s(22.64%)p1.97(44.63%)d1.45(32.73%) 0.000093380 - 3.504734568
534 RY*(9)C29 s(6.38%)p11.13(70.94%)d3.56(22.68%) 0.000050622 - 1.827096961
535 RY*(10)C29 s(2.37%)p36.98(87.52%)d4.27(10.11%) 0.000048940 - 1.273855623
536 RY*(11)C29 s(48.22%)p0.30(14.39%)d0.78(37.39%) 0.000056320 - 1.713459385
537 RY*(12)C29 s(7.42%)p1.03(7.66%)d11.45(84.92%) 0.000024530 - 2.481514056
538 RY*(13)C29 s(7.03%)p4.93(34.61%)d8.30(58.36%) 0.000026903 - 3.521183326
539 RY*(14)C29 s(5.61%)p5.99(33.63%)d10.82(60.76%) 0.000018710 - 1.771191584
540 RY*(15)C29 s(10.95%)p2.49(27.30%)d5.64(61.75%) 0.000007880 - 1.963972178
541 RY*(16)C29 s(2.87%)p1.58(4.54%)d32.29(92.59%) 0.000002436 - 3.115406932
542 RY*(17)C29 s(15.08%)p3.81(57.39%)d1.83(27.54%) 0.000004753 - 1.300461657
543 RY*(18)C29 s(78.66%)p0.14(11.14%)d0.13(10.20%) 0.000000577 - 17.134628917
544 RY*(19)C29 s(3.16%)p21.19(66.96%)d9.46(29.88%) 0.000003203 - 2.803859483
545 RY*(20)C29 s(6.37%)p0.45(2.86%)d14.26(90.77%) 0.000001165 - 3.143114704
546 RY*(21)C29 s(0.62%)p99.99(94.38%)d8.08(5.00%) 0.000003013 - 2.681313792
547 RY*(22)C29 s(7.58%)p2.52(19.08%)d9.67(73.34%) 0.000005310 - 2.466415063
548 RY*(1)C30 s(0.16%)p99.99(90.59%)d56.20(9.24%) 0.005795388 - 1.424881615
549 RY*(2)C30 s(0.51%)p99.99(96.84%)d5.19(2.65%) 0.001923942 - 1.275016061
550 RY*(3)C30 s(0.01%)p99.99(78.36%)d99.99(21.63%) 0.001157514 - 0.797020603
551 RY*(4)C30 s(52.44%)p0.14(7.21%)d0.77(40.34%) 0.000872374 - 1.920931736
552 RY*(5)C30 s(0.12%)p99.99(51.22%)d99.99(48.66%) 0.000558713 - 1.706980284
553 RY*(6)C30 s(5.00%)p7.74(38.70%)d11.26(56.30%) 0.000462068 - 2.382936199
554 RY*(7)C30 s(34.26%)p0.26(8.94%)d1.66(56.79%) 0.000259997 - 1.699042094
555 RY*(8)C30 s(2.59%)p4.18(10.84%)d33.39(86.57%) 0.000168463 - 2.136405726
556 RY*(9)C30 s(1.23%)p30.54(37.42%)d50.08(61.35%) 0.000091458 - 1.499583718
557 RY*(10)C30 s(11.99%)p5.72(68.63%)d1.62(19.38%) 0.000091299 - 1.970799666
558 RY*(11)C30 s(4.27%)p2.04(8.69%)d20.40(87.05%) 0.000056431 - 3.057007521
559 RY*(12)C30 s(2.81%)p13.48(37.91%)d21.08(59.28%) 0.000038015 - 2.639543941
560 RY*(13)C30 s(3.83%)p12.73(48.72%)d12.40(47.46%) 0.000015662 - 3.047426852
561 RY*(14)C30 s(1.64%)p21.39(35.03%)d38.66(63.33%) 0.000024860 - 1.124576117
562 RY*(15)C30 s(0.31%)p99.99(84.98%)d46.91(14.71%) 0.000009017 - 2.715287484
563 RY*(16)C30 s(11.32%)p6.24(70.64%)d1.59(18.04%) 0.000017635 - 2.897830676
564 RY*(17)C30 s(58.86%)p0.66(38.80%)d0.04(2.33%) 0.000011691 - 1.765010869
565 RY*(18)C30 s(93.81%)p0.03(3.21%)d0.03(2.98%) 0.000002547 - 19.743006651
566 RY*(19)C30 s(12.72%)p5.05(64.17%)d1.82(23.11%) 0.000009647 - 1.101232441
567 RY*(20)C30 s(1.08%)p4.27(4.62%)d87.26(94.30%) 0.000004035 - 3.493676514
568 RY*(21)C30 s(0.48%)p19.64(9.40%)d99.99(90.13%) 0.000009199 - 2.666237973
569 RY*(22)C30 s(0.70%)p7.46(5.22%)d99.99(94.08%) 0.000005755 - 3.089278588
570 RY*(1)H31 s(98.87%)p0.01(1.13%) 0.001376603 - 0.726486166
571 RY*(2)H31 s(92.57%)p0.08(7.43%) 0.000256999 - 2.444077329
572 RY*(3)H31 s(2.60%)p37.40(97.40%) 0.000209547 - 1.986308984
573 RY*(4)H31 s(0.53%)p99.99(99.47%) 0.000045678 - 2.810820094
574 RY*(5)H31 s(5.46%)p17.32(94.54%) 0.000053560 - 2.773962540
575 RY*(1)H32 s(99.64%)p0.00(0.36%) 0.000571702 - 1.146303222
576 RY*(2)H32 s(2.86%)p33.96(97.14%) 0.000211511 - 1.927145228
577 RY*(3)H32 s(93.75%)p0.07(6.25%) 0.000161625 - 2.068528769
578 RY*(4)H32 s(0.37%)p99.99(99.63%) 0.000049176 - 2.587725662
579 RY*(5)H32 s(3.43%)p28.19(96.57%) 0.000044927 - 2.778912958
580 RY*(1)H33 s(98.88%)p0.01(1.12%) 0.000481659 - 1.170620332
581 RY*(2)H33 s(0.70%)p99.99(99.30%) 0.000219819 - 1.923278492
582 RY*(3)H33 s(92.55%)p0.08(7.45%) 0.000169789 - 2.112055929
583 RY*(4)H33 s(7.10%)p13.09(92.90%) 0.000042294 - 2.663511573
584 RY*(5)H33 s(0.82%)p99.99(99.18%) 0.000048201 - 2.563760647
585 RY*(1)H34 s(99.15%)p0.01(0.85%) 0.000486447 - 1.179637999
586 RY*(2)H34 s(9.52%)p9.51(90.48%) 0.000216236 - 1.939959526
587 RY*(3)H34 s(84.44%)p0.18(15.56%) 0.000175408 - 2.084155679
588 RY*(4)H34 s(3.38%)p28.54(96.62%) 0.000048837 - 2.656391988
589 RY*(5)H34 s(3.55%)p27.20(96.45%) 0.000047561 - 2.616104616
590 RY*(1)H35 s(99.93%)p0.00(0.07%) 0.000572764 - 1.674688039
591 RY*(2)H35 s(2.80%)p34.66(97.20%) 0.000207312 - 1.979086398
592 RY*(3)H35 s(85.63%)p0.17(14.37%) 0.000162740 - 1.836777756
593 RY*(4)H35 s(3.46%)p27.87(96.54%) 0.000055914 - 2.657819536
594 RY*(5)H35 s(8.21%)p11.18(91.79%) 0.000059052 - 2.705224454
595 RY*(1)O36 s(0.72%)p99.99(94.80%)d6.23(4.48%) 0.002729250 - 0.737325131
596 RY*(2)O36 s(0.69%)p99.99(84.08%)d21.91(15.22%) 0.001466454 - 1.085427168
597 RY*(3)O36 s(5.12%)p16.07(82.30%)d2.46(12.58%) 0.000476564 - 0.882310583
598 RY*(4)O36 s(74.75%)p0.17(12.40%)d0.17(12.85%) 0.000314723 - 2.246754449
599 RY*(5)O36 s(10.42%)p1.75(18.24%)d6.85(71.35%) 0.000146518 - 2.106831290
600 RY*(6)O36 s(5.66%)p7.58(42.91%)d9.09(51.44%) 0.000118082 - 2.358485617
601 RY*(7)O36 s(9.38%)p3.43(32.14%)d6.23(58.48%) 0.000082389 - 1.955566575
602 RY*(8)O36 s(10.17%)p5.42(55.09%)d3.42(34.74%) 0.000062747 - 1.985976906
603 RY*(9)O36 s(8.84%)p4.25(37.63%)d6.05(53.52%) 0.000055692 - 1.950501210
604 RY*(10)O36 s(46.83%)p1.03(48.44%)d0.10(4.73%) 0.000025671 - 2.039516056
605 RY*(11)O36 s(1.57%)p4.41(6.92%)d58.35(91.52%) 0.000033496 - 1.975364172
606 RY*(12)O36 s(3.17%)p22.64(71.81%)d7.89(25.02%) 0.000025574 - 2.251460308
607 RY*(13)O36 s(1.48%)p18.03(26.77%)d48.32(71.74%) 0.000018155 - 1.968912671
608 RY*(14)O36 s(8.70%)p10.20(88.70%)d0.30(2.61%) 0.000011481 - 5.165186386
609 RY*(15)O36 s(0.11%)p99.99(99.31%)d5.00(0.57%) 0.000002254 - 5.048664247
610 RY*(16)O36 s(0.11%)p32.41(3.49%)d99.99(96.40%) 0.000001607 - 6.272693569
611 RY*(17)O36 s(99.38%)p0.01(0.60%)d0.00(0.03%) 0.000000091 - 48.985153537
612 RY*(18)O36 s(0.31%)p34.20(10.54%)d99.99(89.15%) 0.000001866 - 5.531372128
613 RY*(19)O36 s(0.01%)p1.00(0.30%)d99.99(99.69%) 0.000000704 - 6.789839053
614 RY*(20)O36 s(0.25%)p3.19(0.79%)d99.99(98.96%) 0.000000685 - 6.792932392
615 RY*(21)O36 s(12.36%)p6.59(81.42%)d0.50(6.22%) 0.000004036 - 4.639011224
616 RY*(22)O36 s(0.06%)p35.68(1.97%)d99.99(97.97%) 0.000001066 - 6.860952855
617 RY*(1)H37 s(8.72%)p10.46(91.28%) 0.000861667 - 2.052366104
618 RY*(2)H37 s(66.13%)p0.51(33.87%) 0.000723478 - 2.172528768
619 RY*(3)H37 s(32.47%)p2.08(67.53%) 0.000272025 - 2.064661137
620 RY*(4)H37 s(80.47%)p0.24(19.53%) 0.000194642 - 1.551050483
621 RY*(5)H37 s(12.26%)p7.15(87.74%) 0.000010931 - 2.503926867

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-C2 281, 282 1.969382517 - -0.606292446
2 BD(1)C1-C14 283, 284 1.964645474 - -0.618100205
3 BD(1)C1-C25 285, 286 1.959824167 - -0.614870417
4 BD(1)C1-O36 287, 288 1.987417994 - -0.824173091
5 BD(1)C2-C3 289, 290 1.981331777 - -0.614400576
6 BD(1)C2-H12 291, 292 1.973875746 - -0.491221223
7 BD(1)C2-H13 293, 294 1.972180774 - -0.495835911
8 BD(1)C3-C4 295, 296 1.983541119 - -0.636442569
9 BD(1)C3-H10 297, 298 1.960468005 - -0.499984627
10 BD(1)C3-H11 299, 300 1.957107236 - -0.497434232
11 BD(1)C4-C5 301, 302 1.989308590 - -0.643822074
12 BD(1)C4-O9 303, 304 1.995923930 - -1.089927128
13 BD(2)C4-O9 305, 306 1.983212347 - -0.382011546
14 BD(1)C5-H6 307, 308 1.989002814 - -0.513403768
15 BD(1)C5-H7 309, 310 1.968945542 - -0.515151098
16 BD(1)C5-H8 311, 312 1.975345982 - -0.517146461
17 BD(1)C14-C15 313, 314 1.972470590 - -0.701249251
18 BD(2)C14-C15 315, 316 1.671776914 - -0.256694878
19 BD(1)C14-C19 317, 318 1.970802939 - -0.691320945
20 BD(1)C15-C16 319, 320 1.977014047 - -0.697326700
21 BD(1)C15-H24 321, 322 1.976856315 - -0.518158169
22 BD(1)C16-C17 323, 324 1.978969564 - -0.702153675
23 BD(2)C16-C17 325, 326 1.671943793 - -0.254343239
24 BD(1)C16-H23 327, 328 1.979031226 - -0.517073261
25 BD(1)C17-C18 329, 330 1.978777271 - -0.698128079
26 BD(1)C17-H22 331, 332 1.979387422 - -0.518659376
27 BD(1)C18-C19 333, 334 1.977612618 - -0.700907427
28 BD(2)C18-C19 335, 336 1.667471403 - -0.253178946
29 BD(1)C18-H21 337, 338 1.979153885 - -0.516670785
30 BD(1)C19-H20 339, 340 1.977068364 - -0.511396157
31 BD(1)C25-C26 341, 342 1.971014547 - -0.694624987
32 BD(2)C25-C26 343, 344 1.658242670 - -0.249565097
33 BD(1)C25-C30 345, 346 1.970326674 - -0.693154752
34 BD(1)C26-C27 347, 348 1.976559800 - -0.692476424
35 BD(1)C26-H35 349, 350 1.976488980 - -0.505963588
36 BD(1)C27-C28 351, 352 1.978944169 - -0.697785251
37 BD(2)C27-C28 353, 354 1.672728975 - -0.250856678
38 BD(1)C27-H34 355, 356 1.979030672 - -0.513462541
39 BD(1)C28-C29 357, 358 1.978583202 - -0.695835881
40 BD(1)C28-H33 359, 360 1.979414253 - -0.515639338
41 BD(1)C29-C30 361, 362 1.977101255 - -0.697781727
42 BD(2)C29-C30 363, 364 1.674037756 - -0.251570631
43 BD(1)C29-H32 365, 366 1.979186686 - -0.514849374
44 BD(1)C30-H31 367, 368 1.977999569 - -0.514475773
45 BD(1)O36-H37 369, 370 1.987225431 - -0.722844185
46 CR(1)C1 371 1.998894052 - -10.115743383
47 CR(1)C2 372 1.999193697 - -10.030111188
48 CR(1)C3 373 1.999155272 - -10.036456499
49 CR(1)C4 374 1.999395437 - -10.139189706
50 CR(1)C5 375 1.999262937 - -10.035164397
51 CR(1)O9 376 1.999742697 - -18.845226042
52 CR(1)C14 377 1.998938131 - -10.038873240
53 CR(1)C15 378 1.999028762 - -10.029233726
54 CR(1)C16 379 1.999152009 - -10.032452958
55 CR(1)C17 380 1.999146499 - -10.031851671
56 CR(1)C18 381 1.999148278 - -10.031834757
57 CR(1)C19 382 1.999032382 - -10.026483789
58 CR(1)C25 383 1.998924960 - -10.035275468
59 CR(1)C26 384 1.999006391 - -10.021208817
60 CR(1)C27 385 1.999148214 - -10.028865488
61 CR(1)C28 386 1.999146642 - -10.028163300
62 CR(1)C29 387 1.999151593 - -10.029727105
63 CR(1)C30 388 1.999021949 - -10.025592261
64 CR(1)O36 389 1.999779159 - -18.917490834
65 LP(1)O9 390 1.977773427 - -0.688226628
66 LP(2)O9 391 1.892691034 - -0.268343403
67 LP(1)O36 392 1.977189655 - -0.621809194
68 LP(2)O36 393 1.956430456 - -0.311950250
69 RY*(1)C1 394 0.012064906 - 1.021785455
70 RY*(2)C1 395 0.004173749 - 1.161229786
71 RY*(3)C1 396 0.003088664 - 1.160340649
72 RY*(4)C1 397 0.001957080 - 2.081561051
73 RY*(5)C1 398 0.001304649 - 1.497127722
74 RY*(6)C1 399 0.001046748 - 1.879808662
75 RY*(7)C1 400 0.000804055 - 2.814410458
76 RY*(8)C1 401 0.000591474 - 2.778972367
77 RY*(9)C1 402 0.000492091 - 2.041096453
78 RY*(10)C1 403 0.000448119 - 1.687775158
79 RY*(11)C1 404 0.000363762 - 1.952576595
80 RY*(12)C1 405 0.000278109 - 1.966284285
81 RY*(13)C1 406 0.000229592 - 1.992133521
82 RY*(14)C1 407 0.000170805 - 1.889474897
83 RY*(15)C1 408 0.000145948 - 3.010755754
84 RY*(16)C1 409 0.000109779 - 2.909990275
85 RY*(17)C1 410 0.000077244 - 3.236737712
86 RY*(18)C1 411 0.000054896 - 2.403176480
87 RY*(19)C1 412 0.000041975 - 2.561922612
88 RY*(20)C1 413 0.000038949 - 13.224794950
89 RY*(21)C1 414 0.000019216 - 4.386632071
90 RY*(22)C1 415 0.000018692 - 6.014420845
91 RY*(1)C2 416 0.005256059 - 0.828476357
92 RY*(2)C2 417 0.005012658 - 0.824411120
93 RY*(3)C2 418 0.002781780 - 0.898765408
94 RY*(4)C2 419 0.000954476 - 1.192620125
95 RY*(5)C2 420 0.000505667 - 1.402670423
96 RY*(6)C2 421 0.000450253 - 1.981522652
97 RY*(7)C2 422 0.000233448 - 2.412370309
98 RY*(8)C2 423 0.000158353 - 1.643340464
99 RY*(9)C2 424 0.000164888 - 3.173405342
100 RY*(10)C2 425 0.000091454 - 1.802364914
101 RY*(11)C2 426 0.000100201 - 2.882444708
102 RY*(12)C2 427 0.000082416 - 2.032024213
103 RY*(13)C2 428 0.000058236 - 1.983091242
104 RY*(14)C2 429 0.000056777 - 1.529316954
105 RY*(15)C2 430 0.000029124 - 2.594442666
106 RY*(16)C2 431 0.000024058 - 2.296961740
107 RY*(17)C2 432 0.000026520 - 3.069185748
108 RY*(18)C2 433 0.000003169 - 3.366692437
109 RY*(19)C2 434 0.000004351 - 3.027376086
110 RY*(20)C2 435 0.000007122 - 1.835403344
111 RY*(21)C2 436 0.000000871 - 21.235607856
112 RY*(22)C2 437 0.000010764 - 3.137028202
113 RY*(1)C3 438 0.003062866 - 0.859412654
114 RY*(2)C3 439 0.002425784 - 0.929036994
115 RY*(3)C3 440 0.001722418 - 0.876457067
116 RY*(4)C3 441 0.000820291 - 1.308918211
117 RY*(5)C3 442 0.000390583 - 1.274002089
118 RY*(6)C3 443 0.000260782 - 1.789277911
119 RY*(7)C3 444 0.000199537 - 1.278626825
120 RY*(8)C3 445 0.000182312 - 2.212292572
121 RY*(9)C3 446 0.000147593 - 2.597616237
122 RY*(10)C3 447 0.000150026 - 1.988367233
123 RY*(11)C3 448 0.000090102 - 1.995424684
124 RY*(12)C3 449 0.000041138 - 3.407967864
125 RY*(13)C3 450 0.000041971 - 1.823779882
126 RY*(14)C3 451 0.000015245 - 0.960817966
127 RY*(15)C3 452 0.000018153 - 2.308172989
128 RY*(16)C3 453 0.000022582 - 1.309803177
129 RY*(17)C3 454 0.000005136 - 3.200394636
130 RY*(18)C3 455 0.000011395 - 2.008666341
131 RY*(19)C3 456 0.000000721 - 22.116282976
132 RY*(20)C3 457 0.000009923 - 3.319527321
133 RY*(21)C3 458 0.000000836 - 3.198017343
134 RY*(22)C3 459 0.000005847 - 3.013303429
135 RY*(1)C4 460 0.016615529 - 0.888795647
136 RY*(2)C4 461 0.004331473 - 1.617259211
137 RY*(3)C4 462 0.001837165 - 2.226283927
138 RY*(4)C4 463 0.001456721 - 1.457213104
139 RY*(5)C4 464 0.000855220 - 1.903386450
140 RY*(6)C4 465 0.000347118 - 1.938320086
141 RY*(7)C4 466 0.000264088 - 1.984700488
142 RY*(8)C4 467 0.000226863 - 1.609769754
143 RY*(9)C4 468 0.000070409 - 7.317751597
144 RY*(10)C4 469 0.000035522 - 2.031220476
145 RY*(11)C4 470 0.000036333 - 2.324630371
146 RY*(12)C4 471 0.000004166 - 3.231426640
147 RY*(13)C4 472 0.000007600 - 2.479268885
148 RY*(14)C4 473 0.000013012 - 0.851925037
149 RY*(15)C4 474 0.000004034 - 3.503081193
150 RY*(16)C4 475 0.000004040 - 2.884884968
151 RY*(17)C4 476 0.000007856 - 2.453992091
152 RY*(18)C4 477 0.000006145 - 2.519554183
153 RY*(19)C4 478 0.000002914 - 12.754486091
154 RY*(20)C4 479 0.000003325 - 3.030493924
155 RY*(21)C4 480 0.000002470 - 3.004774971
156 RY*(22)C4 481 0.000002352 - 3.218395875
157 RY*(1)C5 482 0.002572097 - 0.815418283
158 RY*(2)C5 483 0.001193483 - 0.756513001
159 RY*(3)C5 484 0.000356500 - 1.041218012
160 RY*(4)C5 485 0.000282441 - 1.027276672
161 RY*(5)C5 486 0.000210460 - 1.224658764
162 RY*(6)C5 487 0.000098114 - 1.380607031
163 RY*(7)C5 488 0.000075119 - 2.473445437
164 RY*(8)C5 489 0.000026702 - 1.008836111
165 RY*(9)C5 490 0.000017149 - 0.845898485
166 RY*(10)C5 491 0.000006062 - 0.828048548
167 RY*(11)C5 492 0.000004358 - 0.341907309
168 RY*(12)C5 493 0.000001130 - 3.003818951
169 RY*(13)C5 494 0.000000075 - 22.946076312
170 RY*(14)C5 495 0.000000706 - 3.274904179
171 RY*(15)C5 496 0.000007873 - 0.745600331
172 RY*(16)C5 497 0.000000819 - 2.823128164
173 RY*(17)C5 498 0.000001791 - 1.432957563
174 RY*(18)C5 499 0.000000348 - 3.202658981
175 RY*(19)C5 500 0.000000511 - 3.024373652
176 RY*(20)C5 501 0.000000887 - 3.157719665
177 RY*(21)C5 502 0.000002586 - 1.460956299
178 RY*(22)C5 503 0.000001552 - 3.135797743
179 RY*(1)H6 504 0.001488556 - 0.926021596
180 RY*(2)H6 505 0.000118726 - 2.129333683
181 RY*(3)H6 506 0.000117728 - 1.916670747
182 RY*(4)H6 507 0.000080044 - 2.221464605
183 RY*(5)H6 508 0.000029169 - 2.340676194
184 RY*(1)H7 509 0.000848494 - 0.768140447
185 RY*(2)H7 510 0.000126376 - 1.923562666
186 RY*(3)H7 511 0.000112861 - 1.952352265
187 RY*(4)H7 512 0.000063034 - 2.242274680
188 RY*(5)H7 513 0.000025591 - 2.600923597
189 RY*(1)H8 514 0.000849391 - 0.702582462
190 RY*(2)H8 515 0.000124020 - 1.956375087
191 RY*(3)H8 516 0.000109238 - 1.981414780
192 RY*(4)H8 517 0.000067526 - 2.237472462
193 RY*(5)H8 518 0.000031695 - 2.628543522
194 RY*(1)O9 519 0.004894393 - 0.805206671
195 RY*(2)O9 520 0.000733604 - 0.769845688
196 RY*(3)O9 521 0.000649712 - 0.820969017
197 RY*(4)O9 522 0.000237421 - 1.635924452
198 RY*(5)O9 523 0.000098877 - 1.673553904
199 RY*(6)O9 524 0.000077022 - 2.480455910
200 RY*(7)O9 525 0.000047382 - 2.098418906
201 RY*(8)O9 526 0.000043448 - 2.246493516
202 RY*(9)O9 527 0.000012840 - 1.302538810
203 RY*(10)O9 528 0.000010783 - 1.345554503
204 RY*(11)O9 529 0.000013490 - 2.504625599
205 RY*(12)O9 530 0.000014386 - 1.140770360
206 RY*(13)O9 531 0.000001140 - 3.911987149
207 RY*(14)O9 532 0.000000062 - 6.437143810
208 RY*(15)O9 533 0.000000029 - 49.448199624
209 RY*(16)O9 534 0.000000103 - 6.529962254
210 RY*(17)O9 535 0.000000918 - 4.994657177
211 RY*(18)O9 536 0.000000383 - 6.693775259
212 RY*(19)O9 537 0.000000160 - 4.619034166
213 RY*(20)O9 538 0.000000356 - 6.705918443
214 RY*(21)O9 539 0.000004428 - 1.793313441
215 RY*(22)O9 540 0.000000193 - 6.655422194
216 RY*(1)H10 541 0.000908527 - 1.195018623
217 RY*(2)H10 542 0.000174017 - 1.976440734
218 RY*(3)H10 543 0.000173344 - 2.262080530
219 RY*(4)H10 544 0.000070734 - 2.092207845
220 RY*(5)H10 545 0.000037711 - 2.791670762
221 RY*(1)H11 546 0.001111827 - 1.128503587
222 RY*(2)H11 547 0.000310708 - 1.924592235
223 RY*(3)H11 548 0.000178071 - 2.207655582
224 RY*(4)H11 549 0.000098251 - 2.159615291
225 RY*(5)H11 550 0.000047461 - 2.831514480
226 RY*(1)H12 551 0.001133099 - 1.313473836
227 RY*(2)H12 552 0.000304052 - 1.933473104
228 RY*(3)H12 553 0.000159738 - 2.372543793
229 RY*(4)H12 554 0.000112001 - 2.216029634
230 RY*(5)H12 555 0.000045106 - 2.966426797
231 RY*(1)H13 556 0.001631330 - 0.588732895
232 RY*(2)H13 557 0.000293840 - 2.303828916
233 RY*(3)H13 558 0.000161110 - 2.396349739
234 RY*(4)H13 559 0.000080636 - 2.314802105
235 RY*(5)H13 560 0.000040500 - 3.028941344
236 RY*(1)C14 561 0.007849289 - 1.333787726
237 RY*(2)C14 562 0.004699182 - 1.086607413
238 RY*(3)C14 563 0.003525110 - 0.958336802
239 RY*(4)C14 564 0.001602140 - 1.136461105
240 RY*(5)C14 565 0.001087099 - 1.515551589
241 RY*(6)C14 566 0.001086334 - 1.262480294
242 RY*(7)C14 567 0.000895435 - 1.238721369
243 RY*(8)C14 568 0.000676417 - 2.721586769
244 RY*(9)C14 569 0.000549338 - 1.555946285
245 RY*(10)C14 570 0.000356446 - 2.509367577
246 RY*(11)C14 571 0.000306948 - 2.090432512
247 RY*(12)C14 572 0.000229465 - 2.055675638
248 RY*(13)C14 573 0.000203013 - 2.897064708
249 RY*(14)C14 574 0.000158454 - 2.744300261
250 RY*(15)C14 575 0.000080894 - 3.352896367
251 RY*(16)C14 576 0.000053925 - 3.076312081
252 RY*(17)C14 577 0.000050079 - 2.237061328
253 RY*(18)C14 578 0.000032177 - 3.741917927
254 RY*(19)C14 579 0.000003118 - 2.983741112
255 RY*(20)C14 580 0.000009393 - 3.493835690
256 RY*(21)C14 581 0.000008064 - 19.021389190
257 RY*(22)C14 582 0.000008156 - 3.715348023
258 RY*(1)C15 583 0.005889999 - 1.350950126
259 RY*(2)C15 584 0.001851694 - 1.464984915
260 RY*(3)C15 585 0.001307967 - 0.664061930
261 RY*(4)C15 586 0.000770116 - 2.043595318
262 RY*(5)C15 587 0.000530342 - 1.912259190
263 RY*(6)C15 588 0.000427177 - 2.007363566
264 RY*(7)C15 589 0.000216886 - 1.328232932
265 RY*(8)C15 590 0.000151973 - 2.592122290
266 RY*(9)C15 591 0.000106498 - 2.285419132
267 RY*(10)C15 592 0.000059055 - 2.003098120
268 RY*(11)C15 593 0.000043967 - 1.490090608
269 RY*(12)C15 594 0.000050438 - 2.540906471
270 RY*(13)C15 595 0.000042405 - 2.649965353
271 RY*(14)C15 596 0.000011128 - 1.506451290
272 RY*(15)C15 597 0.000010884 - 2.137999130
273 RY*(16)C15 598 0.000013777 - 2.602352166
274 RY*(17)C15 599 0.000013977 - 2.605569048
275 RY*(18)C15 600 0.000005010 - 3.326882070
276 RY*(19)C15 601 0.000010831 - 2.773167160
277 RY*(20)C15 602 0.000000419 - 3.324398652
278 RY*(21)C15 603 0.000005549 - 2.238399798
279 RY*(22)C15 604 0.000003403 - 18.834343211
280 RY*(1)C16 605 0.006717345 - 1.245771324
281 RY*(2)C16 606 0.002109553 - 1.309377092
282 RY*(3)C16 607 0.001180738 - 0.442401448
283 RY*(4)C16 608 0.000794273 - 1.931494181
284 RY*(5)C16 609 0.000488546 - 1.958871003
285 RY*(6)C16 610 0.000384055 - 2.806440239
286 RY*(7)C16 611 0.000131462 - 2.044118607
287 RY*(8)C16 612 0.000106990 - 3.442469581
288 RY*(9)C16 613 0.000065219 - 2.051272300
289 RY*(10)C16 614 0.000060314 - 1.330182518
290 RY*(11)C16 615 0.000033713 - 3.070196798
291 RY*(12)C16 616 0.000017736 - 0.833056189
292 RY*(13)C16 617 0.000008580 - 1.621935277
293 RY*(14)C16 618 0.000014252 - 3.677694024
294 RY*(15)C16 619 0.000011091 - 1.998035617
295 RY*(16)C16 620 0.000005355 - 2.948047451
296 RY*(17)C16 621 0.000003947 - 2.915213404
297 RY*(18)C16 622 0.000008356 - 4.221841135
298 RY*(19)C16 623 0.000010532 - 0.648684457
299 RY*(20)C16 624 0.000010025 - 3.280210459
300 RY*(21)C16 625 0.000000940 - 15.646301841
301 RY*(22)C16 626 0.000005960 - 3.071585692
302 RY*(1)C17 627 0.006262146 - 1.278758507
303 RY*(2)C17 628 0.002164156 - 1.325214327
304 RY*(3)C17 629 0.001183219 - 0.403435213
305 RY*(4)C17 630 0.000789693 - 1.896357577
306 RY*(5)C17 631 0.000618043 - 1.461079135
307 RY*(6)C17 632 0.000369632 - 2.985731157
308 RY*(7)C17 633 0.000131481 - 1.445017041
309 RY*(8)C17 634 0.000106788 - 3.819209801
310 RY*(9)C17 635 0.000058643 - 2.319956610
311 RY*(10)C17 636 0.000038153 - 3.066608470
312 RY*(11)C17 637 0.000011474 - 2.307970493
313 RY*(12)C17 638 0.000015891 - 2.656127393
314 RY*(13)C17 639 0.000008654 - 1.579467080
315 RY*(14)C17 640 0.000010747 - 1.460196069
316 RY*(15)C17 641 0.000009639 - 1.424642987
317 RY*(16)C17 642 0.000003334 - 2.367943776
318 RY*(17)C17 643 0.000013175 - 3.364523439
319 RY*(18)C17 644 0.000006947 - 3.219415146
320 RY*(19)C17 645 0.000002319 - 1.790132312
321 RY*(20)C17 646 0.000001935 - 2.269467777
322 RY*(21)C17 647 0.000000608 - 18.312199165
323 RY*(22)C17 648 0.000001797 - 1.600981194
324 RY*(1)C18 649 0.006529071 - 1.251988790
325 RY*(2)C18 650 0.002127414 - 1.323040672
326 RY*(3)C18 651 0.001145907 - 0.425323962
327 RY*(4)C18 652 0.000769370 - 1.980229022
328 RY*(5)C18 653 0.000467825 - 1.948367302
329 RY*(6)C18 654 0.000389775 - 2.656351849
330 RY*(7)C18 655 0.000129173 - 2.312693117
331 RY*(8)C18 656 0.000109731 - 3.013226087
332 RY*(9)C18 657 0.000077633 - 1.749934826
333 RY*(10)C18 658 0.000049845 - 2.068968252
334 RY*(11)C18 659 0.000047018 - 1.767840655
335 RY*(12)C18 660 0.000032544 - 2.934981132
336 RY*(13)C18 661 0.000001419 - 17.717912399
337 RY*(14)C18 662 0.000007514 - 2.589277200
338 RY*(15)C18 663 0.000009523 - 1.995693970
339 RY*(16)C18 664 0.000011030 - 1.655860307
340 RY*(17)C18 665 0.000010968 - 1.943528699
341 RY*(18)C18 666 0.000001820 - 4.551998910
342 RY*(19)C18 667 0.000006226 - 2.231375029
343 RY*(20)C18 668 0.000006818 - 1.144275153
344 RY*(21)C18 669 0.000005549 - 2.769890014
345 RY*(22)C18 670 0.000002898 - 2.426397832
346 RY*(1)C19 671 0.006507663 - 1.343904160
347 RY*(2)C19 672 0.002537626 - 1.074628911
348 RY*(3)C19 673 0.001136744 - 0.817854901
349 RY*(4)C19 674 0.000810947 - 1.763540475
350 RY*(5)C19 675 0.000513516 - 2.277202259
351 RY*(6)C19 676 0.000459134 - 2.112872900
352 RY*(7)C19 677 0.000304611 - 1.586463571
353 RY*(8)C19 678 0.000187408 - 2.289794826
354 RY*(9)C19 679 0.000107424 - 2.063456723
355 RY*(10)C19 680 0.000070134 - 1.312157049
356 RY*(11)C19 681 0.000049322 - 2.702364240
357 RY*(12)C19 682 0.000051958 - 2.872414780
358 RY*(13)C19 683 0.000028384 - 2.761098836
359 RY*(14)C19 684 0.000015289 - 2.935220352
360 RY*(15)C19 685 0.000013256 - 4.722529929
361 RY*(16)C19 686 0.000022031 - 1.444181397
362 RY*(17)C19 687 0.000003321 - 3.781803788
363 RY*(18)C19 688 0.000003581 - 3.064313108
364 RY*(19)C19 689 0.000010462 - 3.376609203
365 RY*(20)C19 690 0.000007991 - 2.525281648
366 RY*(21)C19 691 0.000001557 - 13.840393932
367 RY*(22)C19 692 0.000001849 - 3.297543921
368 RY*(1)H20 693 0.000646499 - 1.699122078
369 RY*(2)H20 694 0.000211083 - 1.911354552
370 RY*(3)H20 695 0.000157917 - 1.893533244
371 RY*(4)H20 696 0.000050234 - 2.684008430
372 RY*(5)H20 697 0.000049977 - 2.584898009
373 RY*(1)H21 698 0.000543116 - 1.139028273
374 RY*(2)H21 699 0.000210557 - 1.930544493
375 RY*(3)H21 700 0.000164606 - 2.100138742
376 RY*(4)H21 701 0.000051093 - 2.614705688
377 RY*(5)H21 702 0.000047271 - 2.675582484
378 RY*(1)H22 703 0.000437108 - 1.173752489
379 RY*(2)H22 704 0.000215657 - 1.920827144
380 RY*(3)H22 705 0.000170187 - 2.111830385
381 RY*(4)H22 706 0.000047642 - 2.563719573
382 RY*(5)H22 707 0.000043743 - 2.655819988
383 RY*(1)H23 708 0.000531008 - 1.160321965
384 RY*(2)H23 709 0.000211812 - 1.922964081
385 RY*(3)H23 710 0.000162865 - 2.102328487
386 RY*(4)H23 711 0.000055170 - 2.568994269
387 RY*(5)H23 712 0.000042625 - 2.722553318
388 RY*(1)H24 713 0.000537639 - 1.601677344
389 RY*(2)H24 714 0.000223922 - 1.962674312
390 RY*(3)H24 715 0.000151865 - 1.830415674
391 RY*(4)H24 716 0.000053618 - 2.555988000
392 RY*(5)H24 717 0.000052938 - 2.774224988
393 RY*(1)C25 718 0.008318146 - 1.213780465
394 RY*(2)C25 719 0.004915158 - 1.159581313
395 RY*(3)C25 720 0.003235912 - 0.775730293
396 RY*(4)C25 721 0.002065824 - 0.963857529
397 RY*(5)C25 722 0.001299302 - 1.853474349
398 RY*(6)C25 723 0.001114108 - 1.043845033
399 RY*(7)C25 724 0.000955392 - 1.448838314
400 RY*(8)C25 725 0.000748189 - 1.174822904
401 RY*(9)C25 726 0.000551381 - 3.102613393
402 RY*(10)C25 727 0.000427658 - 2.748860101
403 RY*(11)C25 728 0.000317309 - 1.495850877
404 RY*(12)C25 729 0.000241939 - 2.063160985
405 RY*(13)C25 730 0.000162739 - 2.961318684
406 RY*(14)C25 731 0.000103457 - 2.967566275
407 RY*(15)C25 732 0.000106367 - 2.705495308
408 RY*(16)C25 733 0.000086745 - 2.724427281
409 RY*(17)C25 734 0.000057696 - 4.340399214
410 RY*(18)C25 735 0.000038334 - 2.581701895
411 RY*(19)C25 736 0.000033899 - 7.243333873
412 RY*(20)C25 737 0.000016563 - 14.486770310
413 RY*(21)C25 738 0.000008050 - 3.111903578
414 RY*(22)C25 739 0.000005573 - 3.569973992
415 RY*(1)C26 740 0.006551846 - 1.376209034
416 RY*(2)C26 741 0.002567781 - 1.123389412
417 RY*(3)C26 742 0.001282689 - 0.677527238
418 RY*(4)C26 743 0.000775640 - 1.999328841
419 RY*(5)C26 744 0.000490912 - 1.931847977
420 RY*(6)C26 745 0.000396718 - 2.551093698
421 RY*(7)C26 746 0.000280556 - 1.879352204
422 RY*(8)C26 747 0.000184977 - 2.085339240
423 RY*(9)C26 748 0.000088405 - 2.447366308
424 RY*(10)C26 749 0.000038094 - 3.500794467
425 RY*(11)C26 750 0.000039626 - 1.095112403
426 RY*(12)C26 751 0.000039898 - 1.833985402
427 RY*(13)C26 752 0.000015235 - 0.923150170
428 RY*(14)C26 753 0.000024259 - 2.724583896
429 RY*(15)C26 754 0.000004131 - 14.405936931
430 RY*(16)C26 755 0.000011920 - 2.566480370
431 RY*(17)C26 756 0.000005859 - 2.811564578
432 RY*(18)C26 757 0.000011235 - 2.504131452
433 RY*(19)C26 758 0.000008282 - 2.770781970
434 RY*(20)C26 759 0.000010133 - 3.394330446
435 RY*(21)C26 760 0.000003668 - 6.011542324
436 RY*(22)C26 761 0.000000338 - 3.414169207
437 RY*(1)C27 762 0.006451052 - 1.258045122
438 RY*(2)C27 763 0.002126002 - 1.311698809
439 RY*(3)C27 764 0.001163615 - 0.437841889
440 RY*(4)C27 765 0.000756637 - 1.966189990
441 RY*(5)C27 766 0.000479396 - 1.944599120
442 RY*(6)C27 767 0.000405483 - 2.765156077
443 RY*(7)C27 768 0.000135401 - 1.980639861
444 RY*(8)C27 769 0.000091616 - 4.660742867
445 RY*(9)C27 770 0.000071435 - 1.808904908
446 RY*(10)C27 771 0.000041099 - 2.820411120
447 RY*(11)C27 772 0.000047461 - 0.792909006
448 RY*(12)C27 773 0.000021269 - 3.137782516
449 RY*(13)C27 774 0.000024144 - 1.221429230
450 RY*(14)C27 775 0.000002712 - 1.349688754
451 RY*(15)C27 776 0.000011934 - 1.355690830
452 RY*(16)C27 777 0.000001175 - 2.284261709
453 RY*(17)C27 778 0.000002067 - 18.267763181
454 RY*(18)C27 779 0.000001389 - 2.754736260
455 RY*(19)C27 780 0.000001026 - 2.528045738
456 RY*(20)C27 781 0.000002524 - 3.370417674
457 RY*(21)C27 782 0.000009272 - 2.868901783
458 RY*(22)C27 783 0.000008256 - 1.799730422
459 RY*(1)C28 784 0.006278909 - 1.274663244
460 RY*(2)C28 785 0.002183450 - 1.332626165
461 RY*(3)C28 786 0.001270642 - 0.406583086
462 RY*(4)C28 787 0.000816229 - 1.870909759
463 RY*(5)C28 788 0.000596361 - 1.553413799
464 RY*(6)C28 789 0.000371039 - 2.968540188
465 RY*(7)C28 790 0.000130531 - 1.533627209
466 RY*(8)C28 791 0.000106872 - 3.898173883
467 RY*(9)C28 792 0.000051852 - 2.697662609
468 RY*(10)C28 793 0.000032455 - 1.530309913
469 RY*(11)C28 794 0.000022671 - 2.674024731
470 RY*(12)C28 795 0.000006309 - 2.157270467
471 RY*(13)C28 796 0.000015904 - 2.686963553
472 RY*(14)C28 797 0.000015047 - 2.009160998
473 RY*(15)C28 798 0.000007132 - 2.323826016
474 RY*(16)C28 799 0.000013774 - 4.464859312
475 RY*(17)C28 800 0.000000449 - 2.760543491
476 RY*(18)C28 801 0.000001347 - 14.037717301
477 RY*(19)C28 802 0.000000781 - 1.390010173
478 RY*(20)C28 803 0.000001134 - 4.026060026
479 RY*(21)C28 804 0.000000308 - 3.273473607
480 RY*(22)C28 805 0.000000822 - 1.539376241
481 RY*(1)C29 806 0.006481730 - 1.250476012
482 RY*(2)C29 807 0.002144825 - 1.290640210
483 RY*(3)C29 808 0.001305594 - 0.443053870
484 RY*(4)C29 809 0.000758204 - 2.015403152
485 RY*(5)C29 810 0.000409112 - 2.028207233
486 RY*(6)C29 811 0.000390706 - 2.666567661
487 RY*(7)C29 812 0.000144042 - 2.143921475
488 RY*(8)C29 813 0.000093380 - 3.504734568
489 RY*(9)C29 814 0.000050622 - 1.827096961
490 RY*(10)C29 815 0.000048940 - 1.273855623
491 RY*(11)C29 816 0.000056320 - 1.713459385
492 RY*(12)C29 817 0.000024530 - 2.481514056
493 RY*(13)C29 818 0.000026903 - 3.521183326
494 RY*(14)C29 819 0.000018710 - 1.771191584
495 RY*(15)C29 820 0.000007880 - 1.963972178
496 RY*(16)C29 821 0.000002436 - 3.115406932
497 RY*(17)C29 822 0.000004753 - 1.300461657
498 RY*(18)C29 823 0.000000577 - 17.134628917
499 RY*(19)C29 824 0.000003203 - 2.803859483
500 RY*(20)C29 825 0.000001165 - 3.143114704
501 RY*(21)C29 826 0.000003013 - 2.681313792
502 RY*(22)C29 827 0.000005310 - 2.466415063
503 RY*(1)C30 828 0.005795388 - 1.424881615
504 RY*(2)C30 829 0.001923942 - 1.275016061
505 RY*(3)C30 830 0.001157514 - 0.797020603
506 RY*(4)C30 831 0.000872374 - 1.920931736
507 RY*(5)C30 832 0.000558713 - 1.706980284
508 RY*(6)C30 833 0.000462068 - 2.382936199
509 RY*(7)C30 834 0.000259997 - 1.699042094
510 RY*(8)C30 835 0.000168463 - 2.136405726
511 RY*(9)C30 836 0.000091458 - 1.499583718
512 RY*(10)C30 837 0.000091299 - 1.970799666
513 RY*(11)C30 838 0.000056431 - 3.057007521
514 RY*(12)C30 839 0.000038015 - 2.639543941
515 RY*(13)C30 840 0.000015662 - 3.047426851
516 RY*(14)C30 841 0.000024860 - 1.124576117
517 RY*(15)C30 842 0.000009017 - 2.715287484
518 RY*(16)C30 843 0.000017635 - 2.897830676
519 RY*(17)C30 844 0.000011691 - 1.765010869
520 RY*(18)C30 845 0.000002547 - 19.743006651
521 RY*(19)C30 846 0.000009647 - 1.101232441
522 RY*(20)C30 847 0.000004035 - 3.493676514
523 RY*(21)C30 848 0.000009199 - 2.666237973
524 RY*(22)C30 849 0.000005755 - 3.089278588
525 RY*(1)H31 850 0.001376603 - 0.726486166
526 RY*(2)H31 851 0.000256999 - 2.444077329
527 RY*(3)H31 852 0.000209547 - 1.986308984
528 RY*(4)H31 853 0.000045678 - 2.810820094
529 RY*(5)H31 854 0.000053560 - 2.773962540
530 RY*(1)H32 855 0.000571702 - 1.146303222
531 RY*(2)H32 856 0.000211511 - 1.927145228
532 RY*(3)H32 857 0.000161625 - 2.068528769
533 RY*(4)H32 858 0.000049176 - 2.587725662
534 RY*(5)H32 859 0.000044927 - 2.778912958
535 RY*(1)H33 860 0.000481659 - 1.170620332
536 RY*(2)H33 861 0.000219819 - 1.923278492
537 RY*(3)H33 862 0.000169789 - 2.112055929
538 RY*(4)H33 863 0.000042294 - 2.663511573
539 RY*(5)H33 864 0.000048201 - 2.563760647
540 RY*(1)H34 865 0.000486447 - 1.179637999
541 RY*(2)H34 866 0.000216236 - 1.939959526
542 RY*(3)H34 867 0.000175408 - 2.084155679
543 RY*(4)H34 868 0.000048837 - 2.656391988
544 RY*(5)H34 869 0.000047561 - 2.616104616
545 RY*(1)H35 870 0.000572764 - 1.674688039
546 RY*(2)H35 871 0.000207312 - 1.979086398
547 RY*(3)H35 872 0.000162740 - 1.836777756
548 RY*(4)H35 873 0.000055914 - 2.657819536
549 RY*(5)H35 874 0.000059052 - 2.705224454
550 RY*(1)O36 875 0.002729250 - 0.737325131
551 RY*(2)O36 876 0.001466454 - 1.085427168
552 RY*(3)O36 877 0.000476564 - 0.882310583
553 RY*(4)O36 878 0.000314723 - 2.246754449
554 RY*(5)O36 879 0.000146518 - 2.106831290
555 RY*(6)O36 880 0.000118082 - 2.358485617
556 RY*(7)O36 881 0.000082389 - 1.955566575
557 RY*(8)O36 882 0.000062747 - 1.985976906
558 RY*(9)O36 883 0.000055692 - 1.950501210
559 RY*(10)O36 884 0.000025671 - 2.039516056
560 RY*(11)O36 885 0.000033496 - 1.975364172
561 RY*(12)O36 886 0.000025574 - 2.251460308
562 RY*(13)O36 887 0.000018155 - 1.968912671
563 RY*(14)O36 888 0.000011481 - 5.165186386
564 RY*(15)O36 889 0.000002254 - 5.048664247
565 RY*(16)O36 890 0.000001607 - 6.272693569
566 RY*(17)O36 891 0.000000091 - 48.985153537
567 RY*(18)O36 892 0.000001866 - 5.531372128
568 RY*(19)O36 893 0.000000704 - 6.789839053
569 RY*(20)O36 894 0.000000685 - 6.792932392
570 RY*(21)O36 895 0.000004036 - 4.639011224
571 RY*(22)O36 896 0.000001066 - 6.860952855
572 RY*(1)H37 897 0.000861667 - 2.052366104
573 RY*(2)H37 898 0.000723478 - 2.172528768
574 RY*(3)H37 899 0.000272025 - 2.064661137
575 RY*(4)H37 900 0.000194642 - 1.551050483
576 RY*(5)H37 901 0.000010931 - 2.503926867
577 BD*(1)C1-C2 0.035825016 - 0.366193178
578 BD*(1)C1-C14 0.044083178 - 0.391046531
579 BD*(1)C1-C25 0.044662406 - 0.390641229
580 BD*(1)C1-O36 0.038910908 - 0.259860322
581 BD*(1)C2-C3 0.011720317 - 0.392942822
582 BD*(1)C2-H12 0.014590602 - 0.405129943
583 BD*(1)C2-H13 0.014402750 - 0.405702333
584 BD*(1)C3-C4 0.062539976 - 0.393325130
585 BD*(1)C3-H10 0.014363789 - 0.389884640
586 BD*(1)C3-H11 0.015030173 - 0.389159949
587 BD*(1)C4-C5 0.055761098 - 0.379960990
588 BD*(1)C4-O9 0.015421643 - 0.618555569
589 BD*(2)C4-O9 0.095677873 - 0.015111865
590 BD*(1)C5-H6 0.004213893 - 0.398322302
591 BD*(1)C5-H7 0.005465475 - 0.377509299
592 BD*(1)C5-H8 0.005663532 - 0.380753037
593 BD*(1)C14-C15 0.024294178 - 0.568509333
594 BD*(2)C14-C15 0.345512377 - 0.031394645
595 BD*(1)C14-C19 0.023652299 - 0.561820213
596 BD*(1)C15-C16 0.016003918 - 0.568477489
597 BD*(1)C15-H24 0.014838714 - 0.440562321
598 BD*(1)C16-C17 0.016264438 - 0.574975626
599 BD*(2)C16-C17 0.321223788 - 0.028647447
600 BD*(1)C16-H23 0.013958391 - 0.432309794
601 BD*(1)C17-C18 0.016640052 - 0.567825928
602 BD*(1)C17-H22 0.014142867 - 0.433726424
603 BD*(1)C18-C19 0.015355750 - 0.576879665
604 BD*(2)C18-C19 0.306644089 - 0.031387251
605 BD*(1)C18-H21 0.014193689 - 0.432615255
606 BD*(1)C19-H20 0.014749526 - 0.444209631
607 BD*(1)C25-C26 0.024169795 - 0.572924634
608 BD*(2)C25-C26 0.336830474 - 0.038630479
609 BD*(1)C25-C30 0.023275960 - 0.568151082
610 BD*(1)C26-C27 0.015935925 - 0.574377619
611 BD*(1)C26-H35 0.014967609 - 0.454292549
612 BD*(1)C27-C28 0.016554577 - 0.576712443
613 BD*(2)C27-C28 0.328135042 - 0.031525944
614 BD*(1)C27-H34 0.014134776 - 0.435954819
615 BD*(1)C28-C29 0.016502299 - 0.571366512
616 BD*(1)C28-H33 0.014187493 - 0.436269666
617 BD*(1)C29-C30 0.015642976 - 0.575964706
618 BD*(2)C29-C30 0.322883892 - 0.031616534
619 BD*(1)C29-H32 0.013898587 - 0.434600649
620 BD*(1)C30-H31 0.015541929 - 0.435884113
621 BD*(1)O36-H37 0.006753499 - 0.423057089

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THOUGH I SPEAK WITH THE TONGUES OF MEN AND OF ANGELS, AND HAVE NOT LOVE, I AM BECOME AS SOUNDING BRASS, A TINKLING CYMBAL. AND THOUGH I HAVE THE GIFT OF PROPHECY, AND UNDERSTAND ALL MYSTERIES, AND ALL KNOWLEDGE. AND THOUGH I HAVE ALL FAITH, SO THAT I COULD REMOVE MOUNTAINS, AND HAVE NOT LOVE, I AM NOTHING. AND THOUGH I BESTOW ALL MY GOODS TO FEED THE POOR, AND THOUGH I GIVE MY BODY TO BE BURNED, AND HAVE NOT LOVE IT PROFITETH ME NOTHING. LOVE SUFFERETH LONG, AND IS KIND, LOVE ENVIETH NOT, LOVE VAUNTETH NOT ITSELF, IS NOT PUFFED UP, DOTH NOT BEHAVE ITSELF UNSEEMLY, SEEKETH NOT HER OWN, IS NOT EASILY PROVOKED, THINKETH NO EVIL, REJOICETH NOT IN INIQUITY, BUT REJOICETH IN THE TRUTH, BEARETH ALL THINGS, BELIEVETH ALL THINGS, HOPETH ALL THINGS, ENDURETH ALL THINGS. LOVE NEVER FAILETH, BUT WHETHER THERE BE PROPHECIES, THEY SHALL FAIL, WHETHER THERE BE TONGUES, THEY SHALL CEASE, WHETHER THERE BE KNOWLEDGE, IT SHALL VANISH AWAY. FOR WE KNOW IN PART, AND WE PROPHESY IN PART. BUT WHEN THAT WHICH IS PERFECT IS COME, THEN THAT WHICH IS IN PART SHALL BE DONE AWAY. WHEN I WAS A CHILD, I SPAKE AS A CHILD, I UNDERSTOOD AS A CHILD, I THOUGHT AS A CHILD. BUT WHEN I BECAME A MAN, I PUT AWAY CHILDISH THINGS. FOR NOW WE SEE THROUGH A GLASS, DARKLY, BUT THEN FACE TO FACE. NOW I KNOW IN PART. BUT THEN SHALL I KNOW EVEN AS ALSO I AM KNOWN. AND NOW ABIDETH FAITH, HOPE AND LOVE, THESE THREE. BUT THE GREATEST OF THESE IS LOVE. I CORINTHIANS 13