WebMO Job Summary

379824: C17H17O(+1), Natural Bond Orbitals - Gaussian

Calculated Quantities

Expand all

Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)
Method B3LYP
Stoichiometry C17H17O(1+)
Symmetry C1
Basis 6-311+G(2d,p)
RB3LYP Energy -733.234363384 Hartree
Dipole Moment 2.1087 Debye
Server class (381217)
CPU time 2958.5 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 0.5112040 0.01705192997
b 0.3716119 0.01239563872
c 0.2530083 0.00843944847

Partial Charges

Atom Symbol Charge
1 C -0.668129  
2 C 0.538106  
3 C -0.242206  
4 C -0.548489  
5 C 0.933067  
6 C 0.999791  
7 C -0.334476  
8 C -0.339798  
9 C -0.096008  
10 C -0.145188  
11 C -0.521380  
12 H 0.140120  
13 H 0.120476  
14 H 0.129437  
15 H 0.120317  
16 H 0.124528  
17 C 0.821690  
18 C -0.548106  
19 C -0.218537  
20 C -0.058936  
21 C -0.180443  
22 C -0.467723  
23 H 0.138384  
24 H 0.121321  
25 H 0.127399  
26 H 0.120386  
27 H 0.116267  
28 H 0.175918  
29 H 0.149138  
30 H 0.164817  
31 H 0.163882  
32 O -0.331740  
33 H 0.167254  
34 H 0.170401  
35 H 0.158456  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -19.26324
2 - 2 - -10.40285
3 - 2 - -10.39937
4 - 2 - -10.33649
5 - 2 - -10.33573
6 - 2 - -10.33409
7 - 2 - -10.3256
8 - 2 - -10.32551
9 - 2 - -10.32533
10 - 2 - -10.32363
11 - 2 - -10.32268
12 - 2 - -10.32124
13 - 2 - -10.31885
14 - 2 - -10.31215
15 - 2 - -10.31094
16 - 2 - -10.31029
17 - 2 - -10.31009
18 - 2 - -10.29599
19 - 2 - -1.19547
20 - 2 - -1.02892
21 - 2 - -1.00153
22 - 2 - -0.96922
23 - 2 - -0.92559
24 - 2 - -0.89721
25 - 2 - -0.89584
26 - 2 - -0.88879
27 - 2 - -0.87853
28 - 2 - -0.83143
29 - 2 - -0.78708
30 - 2 - -0.75874
31 - 2 - -0.74887
32 - 2 - -0.74313
33 - 2 - -0.70472
34 - 2 - -0.67661
35 - 2 - -0.66851
36 - 2 - -0.64792
37 - 2 - -0.62742
38 - 2 - -0.62285
39 - 2 - -0.61226
40 - 2 - -0.60161
41 - 2 - -0.59328
42 - 2 - -0.588
43 - 2 - -0.57884
44 - 2 - -0.57198
45 - 2 - -0.56725
46 - 2 - -0.56656
47 - 2 - -0.55568
48 - 2 - -0.55036
49 - 2 - -0.53432
50 - 2 - -0.51704
51 - 2 - -0.51552
52 - 2 - -0.50848
53 - 2 - -0.50506
54 - 2 - -0.5015
55 - 2 - -0.49409
56 - 2 - -0.49353
57 - 2 - -0.48415
58 - 2 - -0.47804
59 - 2 - -0.43554
60 - 2 - -0.40259
61 - 2 - -0.39641
62 - 2 - -0.39553
63 - 2 - -0.39284
64 - 0 - -0.25945
65 - 0 - -0.16467
66 - 0 - -0.16171
67 - 0 - -0.15499
68 - 0 - -0.14251
69 - 0 - -0.11953
70 - 0 - -0.11322
71 - 0 - -0.09508
72 - 0 - -0.09305
73 - 0 - -0.08945
74 - 0 - -0.07651
75 - 0 - -0.07255
76 - 0 - -0.06944
77 - 0 - -0.065
78 - 0 - -0.05947
79 - 0 - -0.05723
80 - 0 - -0.05011
81 - 0 - -0.0488
82 - 0 - -0.04228
83 - 0 - -0.03737
84 - 0 - -0.03592
85 - 0 - -0.02736
86 - 0 - -0.0219
87 - 0 - -0.02086
88 - 0 - -0.01598
89 - 0 - -0.01413
90 - 0 - -0.0118
91 - 0 - -0.00751
92 - 0 - -0.00661
93 - 0 - -0.00382
94 - 0 - 0.0039
95 - 0 - 0.00697
96 - 0 - 0.01242
97 - 0 - 0.01532
98 - 0 - 0.01878
99 - 0 - 0.01983
100 - 0 - 0.02517
101 - 0 - 0.03188
102 - 0 - 0.03699
103 - 0 - 0.03891
104 - 0 - 0.04241
105 - 0 - 0.04486
106 - 0 - 0.0476
107 - 0 - 0.05014
108 - 0 - 0.05291
109 - 0 - 0.05901
110 - 0 - 0.06109
111 - 0 - 0.06315
112 - 0 - 0.06934
113 - 0 - 0.07035
114 - 0 - 0.07502
115 - 0 - 0.07755
116 - 0 - 0.08152
117 - 0 - 0.08418
118 - 0 - 0.08942
119 - 0 - 0.09123
120 - 0 - 0.09348
121 - 0 - 0.09647
122 - 0 - 0.09986
123 - 0 - 0.10173
124 - 0 - 0.10381
125 - 0 - 0.10697
126 - 0 - 0.10797
127 - 0 - 0.11124
128 - 0 - 0.1124
129 - 0 - 0.11759
130 - 0 - 0.1206
131 - 0 - 0.12308
132 - 0 - 0.12409
133 - 0 - 0.12857
134 - 0 - 0.13269
135 - 0 - 0.13527
136 - 0 - 0.13607
137 - 0 - 0.14075
138 - 0 - 0.14386
139 - 0 - 0.14623
140 - 0 - 0.15059
141 - 0 - 0.15479
142 - 0 - 0.15728
143 - 0 - 0.15797
144 - 0 - 0.16116
145 - 0 - 0.16444
146 - 0 - 0.16858
147 - 0 - 0.16962
148 - 0 - 0.17429
149 - 0 - 0.18124
150 - 0 - 0.18735
151 - 0 - 0.19182
152 - 0 - 0.19385
153 - 0 - 0.19429
154 - 0 - 0.20189
155 - 0 - 0.20511
156 - 0 - 0.21037
157 - 0 - 0.2118
158 - 0 - 0.21475
159 - 0 - 0.22049
160 - 0 - 0.22581
161 - 0 - 0.2308
162 - 0 - 0.2407
163 - 0 - 0.24152
164 - 0 - 0.25047
165 - 0 - 0.25457
166 - 0 - 0.26254
167 - 0 - 0.26576
168 - 0 - 0.27295
169 - 0 - 0.27932
170 - 0 - 0.29004
171 - 0 - 0.30561
172 - 0 - 0.31919
173 - 0 - 0.32148
174 - 0 - 0.32912
175 - 0 - 0.33672
176 - 0 - 0.35142
177 - 0 - 0.35722
178 - 0 - 0.36016
179 - 0 - 0.37765
180 - 0 - 0.38269
181 - 0 - 0.38741
182 - 0 - 0.38947
183 - 0 - 0.39407
184 - 0 - 0.3966
185 - 0 - 0.39989
186 - 0 - 0.40241
187 - 0 - 0.4088
188 - 0 - 0.41363
189 - 0 - 0.41932
190 - 0 - 0.42329
191 - 0 - 0.42865
192 - 0 - 0.42915
193 - 0 - 0.43283
194 - 0 - 0.44456
195 - 0 - 0.45326
196 - 0 - 0.458
197 - 0 - 0.45891
198 - 0 - 0.47133
199 - 0 - 0.47428
200 - 0 - 0.47809
201 - 0 - 0.47952
202 - 0 - 0.48249
203 - 0 - 0.49412
204 - 0 - 0.50192
205 - 0 - 0.50539
206 - 0 - 0.50871
207 - 0 - 0.51118
208 - 0 - 0.51582
209 - 0 - 0.51949
210 - 0 - 0.52344
211 - 0 - 0.5268
212 - 0 - 0.52901
213 - 0 - 0.53216
214 - 0 - 0.53574
215 - 0 - 0.53793
216 - 0 - 0.54749
217 - 0 - 0.54964
218 - 0 - 0.55326
219 - 0 - 0.56291
220 - 0 - 0.57005
221 - 0 - 0.57223
222 - 0 - 0.5772
223 - 0 - 0.58309
224 - 0 - 0.58363
225 - 0 - 0.59139
226 - 0 - 0.59286
227 - 0 - 0.60141
228 - 0 - 0.60707
229 - 0 - 0.60859
230 - 0 - 0.61135
231 - 0 - 0.6249
232 - 0 - 0.62772
233 - 0 - 0.63262
234 - 0 - 0.63806
235 - 0 - 0.64384
236 - 0 - 0.64533
237 - 0 - 0.65172
238 - 0 - 0.66018
239 - 0 - 0.66313
240 - 0 - 0.66889
241 - 0 - 0.67164
242 - 0 - 0.67885
243 - 0 - 0.68487
244 - 0 - 0.68857
245 - 0 - 0.69068
246 - 0 - 0.69319
247 - 0 - 0.6981
248 - 0 - 0.70142
249 - 0 - 0.7094
250 - 0 - 0.71485
251 - 0 - 0.71946
252 - 0 - 0.72338
253 - 0 - 0.72902
254 - 0 - 0.73837
255 - 0 - 0.74961
256 - 0 - 0.75624
257 - 0 - 0.76662
258 - 0 - 0.76923
259 - 0 - 0.78748
260 - 0 - 0.78991
261 - 0 - 0.79434
262 - 0 - 0.80472
263 - 0 - 0.80647
264 - 0 - 0.81716
265 - 0 - 0.82959
266 - 0 - 0.84279
267 - 0 - 0.86377
268 - 0 - 0.86946
269 - 0 - 0.8779
270 - 0 - 0.89467
271 - 0 - 0.8956
272 - 0 - 0.9125
273 - 0 - 0.91537
274 - 0 - 0.91976
275 - 0 - 0.93289
276 - 0 - 0.9461
277 - 0 - 0.95712
278 - 0 - 0.96496
279 - 0 - 0.96938
280 - 0 - 0.98858
281 - 0 - 1.00531
282 - 0 - 1.01063
283 - 0 - 1.01831
284 - 0 - 1.03084
285 - 0 - 1.04447
286 - 0 - 1.04953
287 - 0 - 1.07075
288 - 0 - 1.07417
289 - 0 - 1.08448
290 - 0 - 1.08536
291 - 0 - 1.09082
292 - 0 - 1.1003
293 - 0 - 1.10921
294 - 0 - 1.11821
295 - 0 - 1.12364
296 - 0 - 1.12838
297 - 0 - 1.13611
298 - 0 - 1.14327
299 - 0 - 1.16121
300 - 0 - 1.16299
301 - 0 - 1.17696
302 - 0 - 1.19474
303 - 0 - 1.19511
304 - 0 - 1.19753
305 - 0 - 1.20643
306 - 0 - 1.20905
307 - 0 - 1.21718
308 - 0 - 1.22003
309 - 0 - 1.22668
310 - 0 - 1.22834
311 - 0 - 1.23317
312 - 0 - 1.23774
313 - 0 - 1.24901
314 - 0 - 1.25207
315 - 0 - 1.25234
316 - 0 - 1.25752
317 - 0 - 1.27534
318 - 0 - 1.2862
319 - 0 - 1.29757
320 - 0 - 1.30842
321 - 0 - 1.3308
322 - 0 - 1.34067
323 - 0 - 1.3543
324 - 0 - 1.36698
325 - 0 - 1.36883
326 - 0 - 1.37859
327 - 0 - 1.39164
328 - 0 - 1.40222
329 - 0 - 1.41016
330 - 0 - 1.41842
331 - 0 - 1.42831
332 - 0 - 1.44039
333 - 0 - 1.45175
334 - 0 - 1.45509
335 - 0 - 1.46904
336 - 0 - 1.47623
337 - 0 - 1.48503
338 - 0 - 1.50023
339 - 0 - 1.51585
340 - 0 - 1.52858
341 - 0 - 1.54639
342 - 0 - 1.54773
343 - 0 - 1.55862
344 - 0 - 1.58344
345 - 0 - 1.59106
346 - 0 - 1.60997
347 - 0 - 1.61926
348 - 0 - 1.6293
349 - 0 - 1.63754
350 - 0 - 1.66154
351 - 0 - 1.66843
352 - 0 - 1.66874
353 - 0 - 1.69581
354 - 0 - 1.71638
355 - 0 - 1.72583
356 - 0 - 1.74995
357 - 0 - 1.77383
358 - 0 - 1.79289
359 - 0 - 1.80215
360 - 0 - 1.80814
361 - 0 - 1.82341
362 - 0 - 1.83431
363 - 0 - 1.85323
364 - 0 - 1.87044
365 - 0 - 1.87616
366 - 0 - 1.88367
367 - 0 - 1.89699
368 - 0 - 1.92084
369 - 0 - 1.94305
370 - 0 - 2.01135
371 - 0 - 2.01322
372 - 0 - 2.04967
373 - 0 - 2.07786
374 - 0 - 2.08838
375 - 0 - 2.11269
376 - 0 - 2.1169
377 - 0 - 2.1249
378 - 0 - 2.13185
379 - 0 - 2.15263
380 - 0 - 2.16439
381 - 0 - 2.19714
382 - 0 - 2.20498
383 - 0 - 2.21496
384 - 0 - 2.22175
385 - 0 - 2.22365
386 - 0 - 2.23556
387 - 0 - 2.24902
388 - 0 - 2.27316
389 - 0 - 2.30664
390 - 0 - 2.32009
391 - 0 - 2.35767
392 - 0 - 2.36339
393 - 0 - 2.3941
394 - 0 - 2.41755
395 - 0 - 2.43609
396 - 0 - 2.47343
397 - 0 - 2.489
398 - 0 - 2.50676
399 - 0 - 2.53118
400 - 0 - 2.53945
401 - 0 - 2.54304
402 - 0 - 2.54819
403 - 0 - 2.55046
404 - 0 - 2.5571
405 - 0 - 2.56713
406 - 0 - 2.59146
407 - 0 - 2.62633
408 - 0 - 2.63289
409 - 0 - 2.63914
410 - 0 - 2.64231
411 - 0 - 2.65052
412 - 0 - 2.65742
413 - 0 - 2.66242
414 - 0 - 2.66937
415 - 0 - 2.68746
416 - 0 - 2.70537
417 - 0 - 2.71356
418 - 0 - 2.71582
419 - 0 - 2.71869
420 - 0 - 2.73015
421 - 0 - 2.73732
422 - 0 - 2.74097
423 - 0 - 2.7508
424 - 0 - 2.76774
425 - 0 - 2.77489
426 - 0 - 2.79196
427 - 0 - 2.80521
428 - 0 - 2.81646
429 - 0 - 2.84863
430 - 0 - 2.85256
431 - 0 - 2.85411
432 - 0 - 2.86067
433 - 0 - 2.90669
434 - 0 - 2.92235
435 - 0 - 2.9395
436 - 0 - 2.95978
437 - 0 - 2.96679
438 - 0 - 2.98007
439 - 0 - 2.99254
440 - 0 - 2.99726
441 - 0 - 3.00349
442 - 0 - 3.01416
443 - 0 - 3.02205
444 - 0 - 3.02838
445 - 0 - 3.0364
446 - 0 - 3.04728
447 - 0 - 3.07745
448 - 0 - 3.08868
449 - 0 - 3.10015
450 - 0 - 3.11159
451 - 0 - 3.12484
452 - 0 - 3.14389
453 - 0 - 3.14687
454 - 0 - 3.15404
455 - 0 - 3.16309
456 - 0 - 3.17122
457 - 0 - 3.17373
458 - 0 - 3.18438
459 - 0 - 3.19323
460 - 0 - 3.20177
461 - 0 - 3.2099
462 - 0 - 3.21787
463 - 0 - 3.23108
464 - 0 - 3.23452
465 - 0 - 3.24309
466 - 0 - 3.26137
467 - 0 - 3.27154
468 - 0 - 3.27817
469 - 0 - 3.28975
470 - 0 - 3.29834
471 - 0 - 3.3127
472 - 0 - 3.31991
473 - 0 - 3.33678
474 - 0 - 3.3465
475 - 0 - 3.35522
476 - 0 - 3.36491
477 - 0 - 3.37745
478 - 0 - 3.38227
479 - 0 - 3.39141
480 - 0 - 3.39952
481 - 0 - 3.40578
482 - 0 - 3.41486
483 - 0 - 3.41747
484 - 0 - 3.42898
485 - 0 - 3.43399
486 - 0 - 3.43722
487 - 0 - 3.4429
488 - 0 - 3.44766
489 - 0 - 3.4546
490 - 0 - 3.46641
491 - 0 - 3.47551
492 - 0 - 3.47808
493 - 0 - 3.48037
494 - 0 - 3.49129
495 - 0 - 3.50243
496 - 0 - 3.50795
497 - 0 - 3.51898
498 - 0 - 3.5264
499 - 0 - 3.53143
500 - 0 - 3.54804
501 - 0 - 3.55996
502 - 0 - 3.5678
503 - 0 - 3.59532
504 - 0 - 3.6056
505 - 0 - 3.61301
506 - 0 - 3.62091
507 - 0 - 3.62565
508 - 0 - 3.63277
509 - 0 - 3.636
510 - 0 - 3.64844
511 - 0 - 3.65657
512 - 0 - 3.661
513 - 0 - 3.67749
514 - 0 - 3.6789
515 - 0 - 3.70529
516 - 0 - 3.72039
517 - 0 - 3.72692
518 - 0 - 3.73256
519 - 0 - 3.75592
520 - 0 - 3.76681
521 - 0 - 3.77245
522 - 0 - 3.78526
523 - 0 - 3.7975
524 - 0 - 3.80505
525 - 0 - 3.81182
526 - 0 - 3.81644
527 - 0 - 3.82081
528 - 0 - 3.83582
529 - 0 - 3.8477
530 - 0 - 3.85533
531 - 0 - 3.86708
532 - 0 - 3.89408
533 - 0 - 3.93904
534 - 0 - 3.94666
535 - 0 - 4.01271
536 - 0 - 4.04587
537 - 0 - 4.04834
538 - 0 - 4.07204
539 - 0 - 4.08491
540 - 0 - 4.12302
541 - 0 - 4.13917
542 - 0 - 4.15032
543 - 0 - 4.17007
544 - 0 - 4.21094
545 - 0 - 4.2454
546 - 0 - 4.37025
547 - 0 - 4.41386
548 - 0 - 4.42575
549 - 0 - 4.43304
550 - 0 - 4.47062
551 - 0 - 4.48826
552 - 0 - 4.57668
553 - 0 - 4.59394
554 - 0 - 4.67575
555 - 0 - 4.67938
556 - 0 - 4.77019
557 - 0 - 4.97901
558 - 0 - 5.01302
559 - 0 - 5.15124
560 - 0 - 5.1571
561 - 0 - 5.26126
562 - 0 - 5.90636
563 - 0 - 6.76911
564 - 0 - 6.84521
565 - 0 - 6.9334
566 - 0 - 7.13102
567 - 0 - 7.15717
568 - 0 - 23.52091
569 - 0 - 23.63109
570 - 0 - 23.76229
571 - 0 - 23.80478
572 - 0 - 23.85475
573 - 0 - 23.85779
574 - 0 - 23.88692
575 - 0 - 23.88961
576 - 0 - 23.89177
577 - 0 - 23.94145
578 - 0 - 23.94955
579 - 0 - 23.95861
580 - 0 - 23.98949
581 - 0 - 24.01204
582 - 0 - 24.02624
583 - 0 - 24.03562
584 - 0 - 24.06354
585 - 0 - 49.90051
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C -0.66234  
2 C 0.60993  
3 C -0.46863  
4 C -0.44600  
5 C 0.33882  
6 C -0.15174  
7 C -0.11298  
8 C -0.19202  
9 C -0.10143  
10 C -0.20043  
11 C -0.11423  
12 H 0.22575  
13 H 0.23011  
14 H 0.22658  
15 H 0.22941  
16 H 0.21849  
17 C -0.15528  
18 C -0.14493  
19 C -0.19168  
20 C -0.11780  
21 C -0.19526  
22 C -0.12210  
23 H 0.22999  
24 H 0.22985  
25 H 0.22656  
26 H 0.22880  
27 H 0.21369  
28 H 0.26335  
29 H 0.23444  
30 H 0.24280  
31 H 0.24293  
32 O -0.53430  
33 H 0.24121  
34 H 0.24336  
35 H 0.23508  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.999246499 - -10.154344228
2 C1 Val(2S) 1.113183012 - -0.390948049
3 C1 Ryd(4S) 0.000377942 - 0.940908379
4 C1 Ryd(3S) 0.000156629 - 0.759415985
5 C1 Ryd(5S) 0.000001911 - 23.079504086
6 C1 Val(2p) 1.175619337 - -0.231601192
7 C1 Ryd(4p) 0.001031305 - 0.524272081
8 C1 Ryd(3p) 0.000108408 - 0.304533929
9 C1 Ryd(5p) 0.000023625 - 2.728826147
10 C1 Val(2p) 1.139566918 - -0.232670106
11 C1 Ryd(4p) 0.000959406 - 0.517882431
12 C1 Ryd(3p) 0.000157139 - 0.281780401
13 C1 Ryd(5p) 0.000038924 - 2.680472224
14 C1 Val(2p) 1.222762085 - -0.231349748
15 C1 Ryd(4p) 0.002399333 - 0.569764887
16 C1 Ryd(3p) 0.000165275 - 0.314125729
17 C1 Ryd(5p) 0.000045016 - 2.825166586
18 C1 Ryd(3d) 0.001203045 - 1.520487017
19 C1 Ryd(4d) 0.000053599 - 3.020135479
20 C1 Ryd(3d) 0.001393105 - 1.323187415
21 C1 Ryd(4d) 0.000066681 - 2.887188244
22 C1 Ryd(3d) 0.001545213 - 1.413630194
23 C1 Ryd(4d) 0.000094909 - 2.973376239
24 C1 Ryd(3d) 0.000632070 - 1.409975362
25 C1 Ryd(4d) 0.000094481 - 2.970550088
26 C1 Ryd(3d) 0.001270207 - 1.519030190
27 C1 Ryd(4d) 0.000139499 - 3.084938212
28 C2 Cor(1S) 1.999372548 - -10.277755182
29 C2 Val(2S) 0.867881924 - -0.311502526
30 C2 Ryd(3S) 0.004966005 - 0.601768046
31 C2 Ryd(4S) 0.000085867 - 3.481931493
32 C2 Ryd(5S) 0.000028173 - 20.074503148
33 C2 Val(2p) 0.754365637 - -0.203839912
34 C2 Ryd(4p) 0.007609189 - 0.832535599
35 C2 Ryd(3p) 0.000366785 - 0.826940838
36 C2 Ryd(5p) 0.000092750 - 2.180728207
37 C2 Val(2p) 0.815502876 - -0.206268558
38 C2 Ryd(4p) 0.005566848 - 0.965807198
39 C2 Ryd(3p) 0.000278087 - 0.853573489
40 C2 Ryd(5p) 0.000098981 - 2.283649225
41 C2 Val(2p) 0.920539444 - -0.183286462
42 C2 Ryd(4p) 0.007408421 - 1.019003012
43 C2 Ryd(3p) 0.000692222 - 0.824626181
44 C2 Ryd(5p) 0.000085768 - 2.139279516
45 C2 Ryd(4d) 0.000803135 - 2.972774932
46 C2 Ryd(3d) 0.000101794 - 2.665640332
47 C2 Ryd(4d) 0.000801296 - 2.873319995
48 C2 Ryd(3d) 0.000067506 - 2.636427624
49 C2 Ryd(4d) 0.000936836 - 2.858436177
50 C2 Ryd(3d) 0.000032468 - 2.727212238
51 C2 Ryd(4d) 0.001042242 - 2.707912717
52 C2 Ryd(3d) 0.000064140 - 2.473205438
53 C2 Ryd(3d) 0.001228177 - 2.832921023
54 C2 Ryd(4d) 0.000049603 - 2.885870583
55 C3 Cor(1S) 1.999177584 - -10.184614041
56 C3 Val(2S) 1.051092995 - -0.387379259
57 C3 Ryd(4S) 0.000755227 - 1.098557818
58 C3 Ryd(3S) 0.000128220 - 0.686312435
59 C3 Ryd(5S) 0.000005785 - 23.154797015
60 C3 Val(2p) 1.135410183 - -0.244562649
61 C3 Ryd(4p) 0.001581180 - 0.492842406
62 C3 Ryd(3p) 0.000220236 - 0.230877748
63 C3 Ryd(5p) 0.000094684 - 3.073118278
64 C3 Val(2p) 1.168658118 - -0.245988775
65 C3 Ryd(4p) 0.002957166 - 0.641434004
66 C3 Ryd(3p) 0.000196890 - 0.378429577
67 C3 Ryd(5p) 0.000060427 - 3.106363649
68 C3 Val(2p) 1.099521490 - -0.247707449
69 C3 Ryd(4p) 0.002362427 - 0.532069534
70 C3 Ryd(3p) 0.000166783 - 0.371332506
71 C3 Ryd(5p) 0.000103434 - 3.038064128
72 C3 Ryd(3d) 0.001501460 - 1.449673287
73 C3 Ryd(4d) 0.000043619 - 3.240419866
74 C3 Ryd(3d) 0.000352250 - 1.357832743
75 C3 Ryd(4d) 0.000227445 - 2.994973005
76 C3 Ryd(3d) 0.000977835 - 1.429689430
77 C3 Ryd(4d) 0.000163447 - 3.194676928
78 C3 Ryd(3d) 0.000967881 - 1.373846925
79 C3 Ryd(4d) 0.000183185 - 3.055227539
80 C3 Ryd(3d) 0.001611422 - 1.553715385
81 C3 Ryd(4d) 0.000108852 - 3.253785776
82 C4 Cor(1S) 1.999124819 - -10.187374556
83 C4 Val(2S) 1.016653185 - -0.381256902
84 C4 Ryd(3S) 0.001104555 - 1.105904919
85 C4 Ryd(4S) 0.000023237 - 1.830962872
86 C4 Ryd(5S) 0.000006028 - 22.067495965
87 C4 Val(2p) 1.149539180 - -0.248892884
88 C4 Ryd(3p) 0.004518858 - 0.649635011
89 C4 Ryd(4p) 0.000106300 - 0.716376970
90 C4 Ryd(5p) 0.000094981 - 2.946443009
91 C4 Val(2p) 1.111080751 - -0.252048466
92 C4 Ryd(4p) 0.002497656 - 0.572573689
93 C4 Ryd(3p) 0.000145992 - 0.548475345
94 C4 Ryd(5p) 0.000085982 - 3.047982382
95 C4 Val(2p) 1.150893885 - -0.258271283
96 C4 Ryd(3p) 0.003379764 - 0.531686987
97 C4 Ryd(4p) 0.000091753 - 0.734729932
98 C4 Ryd(5p) 0.000059220 - 2.882451185
99 C4 Ryd(3d) 0.001228535 - 1.535948561
100 C4 Ryd(4d) 0.000192718 - 3.390562907
101 C4 Ryd(3d) 0.000698719 - 1.374928250
102 C4 Ryd(4d) 0.000243011 - 3.157520892
103 C4 Ryd(3d) 0.002007684 - 1.503089867
104 C4 Ryd(4d) 0.000136016 - 3.355464450
105 C4 Ryd(3d) 0.000858976 - 1.356093853
106 C4 Ryd(4d) 0.000197746 - 3.106675947
107 C4 Ryd(3d) 0.000905754 - 1.405480299
108 C4 Ryd(4d) 0.000128062 - 3.238510657
109 C5 Cor(1S) 1.998979319 - -10.250509057
110 C5 Val(2S) 0.909963381 - -0.334603724
111 C5 Ryd(3S) 0.001449893 - 0.991930254
112 C5 Ryd(4S) 0.001034732 - 1.054117452
113 C5 Ryd(5S) 0.000016865 - 22.288235465
114 C5 Val(2p) 1.020721683 - -0.206827965
115 C5 Ryd(3p) 0.003914821 - 0.751721992
116 C5 Ryd(4p) 0.000956800 - 0.989036063
117 C5 Ryd(5p) 0.000050964 - 2.981086458
118 C5 Val(2p) 0.933255255 - -0.230725003
119 C5 Ryd(3p) 0.007023627 - 0.767071163
120 C5 Ryd(4p) 0.001774475 - 0.807232887
121 C5 Ryd(5p) 0.000036332 - 3.059255905
122 C5 Val(2p) 0.769334313 - -0.249049339
123 C5 Ryd(3p) 0.005567281 - 0.595196144
124 C5 Ryd(4p) 0.001709166 - 0.612989722
125 C5 Ryd(5p) 0.000040273 - 3.015728418
126 C5 Ryd(3d) 0.000711176 - 1.799956224
127 C5 Ryd(4d) 0.000549659 - 3.609064803
128 C5 Ryd(3d) 0.000629467 - 1.467874983
129 C5 Ryd(4d) 0.000259676 - 3.269708205
130 C5 Ryd(3d) 0.000828083 - 1.585372494
131 C5 Ryd(4d) 0.000320383 - 3.376693741
132 C5 Ryd(3d) 0.000764388 - 1.748103607
133 C5 Ryd(4d) 0.000435244 - 3.464998696
134 C5 Ryd(3d) 0.000666356 - 1.645375347
135 C5 Ryd(4d) 0.000182317 - 3.274990084
136 C6 Cor(1S) 1.998828728 - -10.184333633
137 C6 Val(2S) 0.877713845 - -0.278465697
138 C6 Ryd(4S) 0.000823209 - 1.130168130
139 C6 Ryd(5S) 0.000018161 - 21.124310228
140 C6 Ryd(3S) 0.000004019 - 1.048800263
141 C6 Val(2p) 1.095046077 - -0.226406930
142 C6 Ryd(4p) 0.006876036 - 1.103394913
143 C6 Ryd(3p) 0.000990973 - 0.620461973
144 C6 Ryd(5p) 0.000102566 - 3.284040897
145 C6 Val(2p) 1.110215058 - -0.222612254
146 C6 Ryd(4p) 0.005218118 - 1.011675566
147 C6 Ryd(3p) 0.001002046 - 0.476199645
148 C6 Ryd(5p) 0.000155921 - 3.360763474
149 C6 Val(2p) 1.046463018 - -0.256390854
150 C6 Ryd(4p) 0.002399796 - 0.457671656
151 C6 Ryd(3p) 0.000472717 - 0.286005636
152 C6 Ryd(5p) 0.000024643 - 2.728395404
153 C6 Ryd(3d) 0.000638205 - 2.157091605
154 C6 Ryd(4d) 0.000630943 - 3.669203235
155 C6 Ryd(3d) 0.000588914 - 1.362337438
156 C6 Ryd(4d) 0.000123493 - 3.242119420
157 C6 Ryd(3d) 0.000360334 - 1.292190474
158 C6 Ryd(4d) 0.000205366 - 3.183202696
159 C6 Ryd(3d) 0.000890992 - 2.054298999
160 C6 Ryd(4d) 0.000763616 - 3.550952686
161 C6 Ryd(3d) 0.001111346 - 1.790327790
162 C6 Ryd(4d) 0.000070100 - 3.375500006
163 C7 Cor(1S) 1.999061342 - -10.174445060
164 C7 Val(2S) 0.943750001 - -0.303608015
165 C7 Ryd(3S) 0.001316418 - 1.159893807
166 C7 Ryd(4S) 0.000023645 - 4.201204072
167 C7 Ryd(5S) 0.000004331 - 17.829971849
168 C7 Val(2p) 1.066976364 - -0.191356889
169 C7 Ryd(4p) 0.003550559 - 0.979079833
170 C7 Ryd(3p) 0.000110405 - 0.608914676
171 C7 Ryd(5p) 0.000141377 - 3.339951663
172 C7 Val(2p) 1.152063535 - -0.189556612
173 C7 Ryd(4p) 0.005500290 - 1.065819917
174 C7 Ryd(3p) 0.000106095 - 0.436601240
175 C7 Ryd(5p) 0.000092186 - 3.205066550
176 C7 Val(2p) 0.933892425 - -0.245790394
177 C7 Ryd(4p) 0.001078222 - 0.508853393
178 C7 Ryd(3p) 0.000317396 - 0.329669557
179 C7 Ryd(5p) 0.000025147 - 2.709143818
180 C7 Ryd(3d) 0.000901052 - 1.966963269
181 C7 Ryd(4d) 0.000601915 - 3.483512091
182 C7 Ryd(3d) 0.000451408 - 1.441897322
183 C7 Ryd(4d) 0.000127094 - 3.012172304
184 C7 Ryd(3d) 0.000363844 - 1.282173150
185 C7 Ryd(4d) 0.000063422 - 2.890468845
186 C7 Ryd(3d) 0.000793646 - 2.104310392
187 C7 Ryd(4d) 0.000439739 - 3.547200276
188 C7 Ryd(3d) 0.001171188 - 1.728153723
189 C7 Ryd(4d) 0.000053690 - 3.217512874
190 C8 Cor(1S) 1.999145312 - -10.164218913
191 C8 Val(2S) 0.956148351 - -0.302405051
192 C8 Ryd(4S) 0.000998994 - 1.360485789
193 C8 Ryd(3S) 0.000046735 - 0.506648202
194 C8 Ryd(5S) 0.000008593 - 21.182031196
195 C8 Val(2p) 1.104428564 - -0.187922965
196 C8 Ryd(4p) 0.005035569 - 0.864130492
197 C8 Ryd(3p) 0.000224008 - 0.425240287
198 C8 Ryd(5p) 0.000143312 - 3.173587954
199 C8 Val(2p) 1.136056593 - -0.189415310
200 C8 Ryd(4p) 0.006035984 - 0.921805992
201 C8 Ryd(3p) 0.000166818 - 0.397291389
202 C8 Ryd(5p) 0.000093357 - 3.215964189
203 C8 Val(2p) 0.977597208 - -0.238125963
204 C8 Ryd(4p) 0.000849138 - 0.451963912
205 C8 Ryd(3p) 0.000255318 - 0.255024586
206 C8 Ryd(5p) 0.000019974 - 2.653258437
207 C8 Ryd(3d) 0.000641496 - 2.162648851
208 C8 Ryd(4d) 0.000695240 - 3.388147270
209 C8 Ryd(3d) 0.000457017 - 1.493084762
210 C8 Ryd(4d) 0.000085078 - 2.851127735
211 C8 Ryd(3d) 0.000351712 - 1.403872119
212 C8 Ryd(4d) 0.000065305 - 2.772574701
213 C8 Ryd(3d) 0.000891600 - 2.047283146
214 C8 Ryd(4d) 0.000341925 - 3.331287133
215 C8 Ryd(3d) 0.001159254 - 1.761984950
216 C8 Ryd(4d) 0.000072766 - 3.039346952
217 C9 Cor(1S) 1.999164260 - -10.174986278
218 C9 Val(2S) 0.966541451 - -0.311976532
219 C9 Ryd(3S) 0.000814612 - 1.224390884
220 C9 Ryd(4S) 0.000062384 - 2.710985197
221 C9 Ryd(5S) 0.000007435 - 19.374603599
222 C9 Val(2p) 1.166681952 - -0.190592404
223 C9 Ryd(4p) 0.006599258 - 0.972188021
224 C9 Ryd(3p) 0.000230960 - 0.272609922
225 C9 Ryd(5p) 0.000049327 - 3.314545929
226 C9 Val(2p) 1.055836276 - -0.179161017
227 C9 Ryd(4p) 0.004086036 - 0.718059923
228 C9 Ryd(3p) 0.000315024 - 0.441072834
229 C9 Ryd(5p) 0.000173206 - 3.315198293
230 C9 Val(2p) 0.894845710 - -0.239136372
231 C9 Ryd(4p) 0.000800470 - 0.440331460
232 C9 Ryd(3p) 0.000228632 - 0.291819818
233 C9 Ryd(5p) 0.000024061 - 2.588232966
234 C9 Ryd(3d) 0.000865645 - 1.963354467
235 C9 Ryd(4d) 0.000391270 - 3.329499341
236 C9 Ryd(3d) 0.000554265 - 1.322826197
237 C9 Ryd(4d) 0.000055750 - 2.795038692
238 C9 Ryd(3d) 0.000252329 - 1.404728625
239 C9 Ryd(4d) 0.000109091 - 2.865818628
240 C9 Ryd(3d) 0.000796987 - 2.179682726
241 C9 Ryd(4d) 0.000711876 - 3.408510363
242 C9 Ryd(3d) 0.001170614 - 1.718594772
243 C9 Ryd(4d) 0.000063979 - 3.044725774
244 C10 Cor(1S) 1.999138097 - -10.163229871
245 C10 Val(2S) 0.954947453 - -0.301469323
246 C10 Ryd(4S) 0.001049641 - 1.367114026
247 C10 Ryd(3S) 0.000062162 - 0.499793716
248 C10 Ryd(5S) 0.000008980 - 21.168861420
249 C10 Val(2p) 1.073096541 - -0.186706353
250 C10 Ryd(4p) 0.004382324 - 0.780011938
251 C10 Ryd(3p) 0.000260973 - 0.465617103
252 C10 Ryd(5p) 0.000176677 - 3.153707108
253 C10 Val(2p) 1.174075380 - -0.192070699
254 C10 Ryd(4p) 0.006865598 - 1.013634664
255 C10 Ryd(3p) 0.000171958 - 0.370564348
256 C10 Ryd(5p) 0.000070368 - 3.209970429
257 C10 Val(2p) 0.980227783 - -0.238758202
258 C10 Ryd(4p) 0.000893842 - 0.445887342
259 C10 Ryd(3p) 0.000295180 - 0.252323524
260 C10 Ryd(5p) 0.000018487 - 2.652025846
261 C10 Ryd(3d) 0.000742723 - 2.109571155
262 C10 Ryd(4d) 0.000428374 - 3.346571554
263 C10 Ryd(3d) 0.000334286 - 1.532506050
264 C10 Ryd(4d) 0.000091847 - 2.856020415
265 C10 Ryd(3d) 0.000443338 - 1.382640253
266 C10 Ryd(4d) 0.000037706 - 2.716759172
267 C10 Ryd(3d) 0.000772675 - 2.135946459
268 C10 Ryd(4d) 0.000602921 - 3.372772150
269 C10 Ryd(3d) 0.001150269 - 1.785708350
270 C10 Ryd(4d) 0.000084069 - 3.031984933
271 C11 Cor(1S) 1.999068767 - -10.176695536
272 C11 Val(2S) 0.948880310 - -0.307908835
273 C11 Ryd(4S) 0.001461071 - 1.124730267
274 C11 Ryd(3S) 0.000017027 - 0.621034040
275 C11 Ryd(5S) 0.000010353 - 21.552375980
276 C11 Val(2p) 1.113408482 - -0.198318872
277 C11 Ryd(4p) 0.003906383 - 1.083005442
278 C11 Ryd(3p) 0.000135614 - 0.591570842
279 C11 Ryd(5p) 0.000111166 - 3.391061863
280 C11 Val(2p) 1.110674039 - -0.186267796
281 C11 Ryd(4p) 0.004710046 - 0.933402218
282 C11 Ryd(3p) 0.000126125 - 0.419047385
283 C11 Ryd(5p) 0.000104407 - 3.309165768
284 C11 Val(2p) 0.925311971 - -0.247310487
285 C11 Ryd(4p) 0.001018599 - 0.507894287
286 C11 Ryd(3p) 0.000300795 - 0.338405664
287 C11 Ryd(5p) 0.000027340 - 2.718782909
288 C11 Ryd(3d) 0.000829481 - 2.032595815
289 C11 Ryd(4d) 0.000718868 - 3.496572556
290 C11 Ryd(3d) 0.000475463 - 1.404470640
291 C11 Ryd(4d) 0.000078812 - 3.008127968
292 C11 Ryd(3d) 0.000389734 - 1.349785264
293 C11 Ryd(4d) 0.000077130 - 2.923604170
294 C11 Ryd(3d) 0.000843806 - 1.994097832
295 C11 Ryd(4d) 0.000288576 - 3.469055539
296 C11 Ryd(3d) 0.001187496 - 1.739924076
297 C11 Ryd(4d) 0.000063954 - 3.211242149
298 H12 Val(1S) 0.772401493 - -0.073148964
299 H12 Ryd(2S) 0.000982466 - 0.545867343
300 H12 Ryd(3S) 0.000305151 - 2.256168189
301 H12 Ryd(2p) 0.000148539 - 2.599765878
302 H12 Ryd(2p) 0.000221090 - 2.729692532
303 H12 Ryd(2p) 0.000195590 - 1.904046584
304 H13 Val(1S) 0.768651329 - -0.066178042
305 H13 Ryd(2S) 0.000441183 - 1.213756626
306 H13 Ryd(3S) 0.000163271 - 1.626221778
307 H13 Ryd(2p) 0.000093479 - 2.486969918
308 H13 Ryd(2p) 0.000347009 - 2.742104505
309 H13 Ryd(2p) 0.000197226 - 1.824993867
310 H14 Val(1S) 0.772344176 - -0.067022454
311 H14 Ryd(2S) 0.000302003 - 0.972509182
312 H14 Ryd(3S) 0.000162486 - 1.853449434
313 H14 Ryd(2p) 0.000369694 - 2.743051182
314 H14 Ryd(2p) 0.000056249 - 2.442626407
315 H14 Ryd(2p) 0.000190121 - 1.829407026
316 H15 Val(1S) 0.769349604 - -0.066171149
317 H15 Ryd(2S) 0.000438280 - 1.236793826
318 H15 Ryd(3S) 0.000162949 - 1.610006395
319 H15 Ryd(2p) 0.000184146 - 2.570166506
320 H15 Ryd(2p) 0.000249905 - 2.641878215
321 H15 Ryd(2p) 0.000207120 - 1.839214748
322 H16 Val(1S) 0.779352428 - -0.078505713
323 H16 Ryd(2S) 0.001303762 - 0.598547636
324 H16 Ryd(3S) 0.000259172 - 2.218508575
325 H16 Ryd(2p) 0.000078703 - 2.521013703
326 H16 Ryd(2p) 0.000288442 - 2.830648867
327 H16 Ryd(2p) 0.000223030 - 1.865966940
328 C17 Cor(1S) 1.998842109 - -10.183111982
329 C17 Val(2S) 0.875935491 - -0.278004566
330 C17 Ryd(4S) 0.001040994 - 1.099847588
331 C17 Ryd(5S) 0.000014966 - 21.710966810
332 C17 Ryd(3S) 0.000007120 - 0.616333794
333 C17 Val(2p) 1.087317705 - -0.235648410
334 C17 Ryd(4p) 0.006212229 - 0.939838194
335 C17 Ryd(3p) 0.001028632 - 0.504628240
336 C17 Ryd(5p) 0.000090044 - 3.177422289
337 C17 Val(2p) 1.068764085 - -0.243611840
338 C17 Ryd(4p) 0.005050806 - 0.769255025
339 C17 Ryd(3p) 0.000774896 - 0.440310943
340 C17 Ryd(5p) 0.000061543 - 3.087042911
341 C17 Val(2p) 1.100837547 - -0.231929628
342 C17 Ryd(4p) 0.002770453 - 0.856134819
343 C17 Ryd(3p) 0.000895603 - 0.443319161
344 C17 Ryd(5p) 0.000175130 - 3.309471253
345 C17 Ryd(3d) 0.000945544 - 1.636528423
346 C17 Ryd(4d) 0.000311467 - 3.506040720
347 C17 Ryd(3d) 0.000755686 - 1.831711120
348 C17 Ryd(4d) 0.000401033 - 3.433990303
349 C17 Ryd(3d) 0.000783647 - 1.704435544
350 C17 Ryd(4d) 0.000334226 - 3.465323962
351 C17 Ryd(3d) 0.000498483 - 1.424944682
352 C17 Ryd(4d) 0.000357008 - 3.426974467
353 C17 Ryd(3d) 0.000589868 - 1.678379476
354 C17 Ryd(4d) 0.000480185 - 3.401241619
355 C18 Cor(1S) 1.999062929 - -10.176260153
356 C18 Val(2S) 0.942410878 - -0.306029802
357 C18 Ryd(3S) 0.001126704 - 1.227807889
358 C18 Ryd(4S) 0.000039822 - 7.035574199
359 C18 Ryd(5S) 0.000007500 - 15.149647663
360 C18 Val(2p) 1.009003474 - -0.209357896
361 C18 Ryd(4p) 0.002584397 - 0.693392797
362 C18 Ryd(3p) 0.000164048 - 0.460532656
363 C18 Ryd(5p) 0.000118704 - 3.168705101
364 C18 Val(2p) 1.046120179 - -0.230140204
365 C18 Ryd(4p) 0.002764654 - 0.769471698
366 C18 Ryd(3p) 0.000188088 - 0.476150248
367 C18 Ryd(5p) 0.000072214 - 3.039354305
368 C18 Val(2p) 1.131133167 - -0.204111907
369 C18 Ryd(4p) 0.005153597 - 0.917075506
370 C18 Ryd(3p) 0.000155660 - 0.348699412
371 C18 Ryd(5p) 0.000066983 - 3.318939127
372 C18 Ryd(3d) 0.000871304 - 2.040454958
373 C18 Ryd(4d) 0.000193185 - 3.318557484
374 C18 Ryd(3d) 0.000782304 - 1.708409598
375 C18 Ryd(4d) 0.000257334 - 3.258755111
376 C18 Ryd(3d) 0.000728294 - 1.546623379
377 C18 Ryd(4d) 0.000356410 - 3.227202293
378 C18 Ryd(3d) 0.000458142 - 1.475115424
379 C18 Ryd(4d) 0.000205657 - 3.070052624
380 C18 Ryd(3d) 0.000522087 - 1.665174440
381 C18 Ryd(4d) 0.000382950 - 3.241833157
382 C19 Cor(1S) 1.999145743 - -10.165192113
383 C19 Val(2S) 0.954738156 - -0.302827086
384 C19 Ryd(4S) 0.001030344 - 1.322810355
385 C19 Ryd(3S) 0.000054059 - 0.521178299
386 C19 Ryd(5S) 0.000007495 - 21.246352780
387 C19 Val(2p) 1.096846599 - -0.206918775
388 C19 Ryd(4p) 0.004692361 - 0.808378187
389 C19 Ryd(3p) 0.000199080 - 0.286140607
390 C19 Ryd(5p) 0.000065875 - 3.074893035
391 C19 Val(2p) 1.023455202 - -0.213730856
392 C19 Ryd(4p) 0.002580226 - 0.602894173
393 C19 Ryd(3p) 0.000259310 - 0.325997382
394 C19 Ryd(5p) 0.000102741 - 2.945086173
395 C19 Val(2p) 1.098457183 - -0.198324140
396 C19 Ryd(4p) 0.004929493 - 0.810509204
397 C19 Ryd(3p) 0.000211515 - 0.339835646
398 C19 Ryd(5p) 0.000099118 - 3.171410682
399 C19 Ryd(3d) 0.000991767 - 1.830168862
400 C19 Ryd(4d) 0.000159586 - 3.152792480
401 C19 Ryd(3d) 0.000603609 - 1.710927359
402 C19 Ryd(4d) 0.000503879 - 3.201912230
403 C19 Ryd(3d) 0.000815824 - 1.962276341
404 C19 Ryd(4d) 0.000294041 - 3.147381300
405 C19 Ryd(3d) 0.000381566 - 1.471151065
406 C19 Ryd(4d) 0.000198061 - 2.948167515
407 C19 Ryd(3d) 0.000656864 - 1.708064676
408 C19 Ryd(4d) 0.000202011 - 3.113503713
409 C20 Cor(1S) 1.999162105 - -10.172497549
410 C20 Val(2S) 0.964532113 - -0.309629957
411 C20 Ryd(3S) 0.000848799 - 1.208707743
412 C20 Ryd(4S) 0.000054007 - 2.554571792
413 C20 Ryd(5S) 0.000007700 - 19.535103805
414 C20 Val(2p) 1.069499576 - -0.202867138
415 C20 Ryd(4p) 0.004346218 - 0.759839030
416 C20 Ryd(3p) 0.000220943 - 0.311477429
417 C20 Ryd(5p) 0.000070252 - 3.095032583
418 C20 Val(2p) 1.033261954 - -0.215409695
419 C20 Ryd(4p) 0.003554048 - 0.691348968
420 C20 Ryd(3p) 0.000217989 - 0.282266543
421 C20 Ryd(5p) 0.000036838 - 2.939498060
422 C20 Val(2p) 1.032856431 - -0.189877597
423 C20 Ryd(4p) 0.003704406 - 0.678539309
424 C20 Ryd(3p) 0.000326067 - 0.405032708
425 C20 Ryd(5p) 0.000144379 - 3.189925605
426 C20 Ryd(3d) 0.000821694 - 1.592165689
427 C20 Ryd(4d) 0.000329178 - 3.111145265
428 C20 Ryd(3d) 0.000827946 - 2.010413248
429 C20 Ryd(4d) 0.000352626 - 3.184772568
430 C20 Ryd(3d) 0.000752597 - 1.704726169
431 C20 Ryd(4d) 0.000198803 - 3.092452757
432 C20 Ryd(3d) 0.000564589 - 1.444930168
433 C20 Ryd(4d) 0.000086903 - 2.849932592
434 C20 Ryd(3d) 0.000638267 - 1.911294636
435 C20 Ryd(4d) 0.000378596 - 3.153370654
436 C21 Cor(1S) 1.999137993 - -10.163072738
437 C21 Val(2S) 0.955123873 - -0.301197384
438 C21 Ryd(4S) 0.001022459 - 1.292371551
439 C21 Ryd(3S) 0.000057092 - 0.482996110
440 C21 Ryd(5S) 0.000010833 - 21.289759745
441 C21 Val(2p) 1.035386061 - -0.201129340
442 C21 Ryd(4p) 0.003135851 - 0.650722303
443 C21 Ryd(3p) 0.000271151 - 0.421085909
444 C21 Ryd(5p) 0.000133518 - 3.018551158
445 C21 Val(2p) 1.038231702 - -0.214669866
446 C21 Ryd(4p) 0.002947284 - 0.645463921
447 C21 Ryd(3p) 0.000243855 - 0.347119018
448 C21 Ryd(5p) 0.000077289 - 2.888583409
449 C21 Val(2p) 1.148527611 - -0.198780930
450 C21 Ryd(4p) 0.005939299 - 0.937218484
451 C21 Ryd(3p) 0.000199625 - 0.354741250
452 C21 Ryd(5p) 0.000057750 - 3.110776771
453 C21 Ryd(3d) 0.000973543 - 2.050519083
454 C21 Ryd(4d) 0.000218173 - 3.166018087
455 C21 Ryd(3d) 0.000838932 - 1.857023271
456 C21 Ryd(4d) 0.000196898 - 3.160923252
457 C21 Ryd(3d) 0.000673251 - 1.628172944
458 C21 Ryd(4d) 0.000292828 - 3.061510140
459 C21 Ryd(3d) 0.000368215 - 1.603001540
460 C21 Ryd(4d) 0.000137767 - 2.953055266
461 C21 Ryd(3d) 0.000633870 - 1.702798335
462 C21 Ryd(4d) 0.000428261 - 3.095450869
463 C22 Cor(1S) 1.999066020 - -10.173325663
464 C22 Val(2S) 0.947969274 - -0.304470151
465 C22 Ryd(3S) 0.001515250 - 1.135167710
466 C22 Ryd(4S) 0.000027820 - 2.719332176
467 C22 Ryd(5S) 0.000005771 - 19.584623984
468 C22 Val(2p) 1.091705242 - -0.214357212
469 C22 Ryd(4p) 0.003955837 - 0.980485431
470 C22 Ryd(3p) 0.000149907 - 0.475766652
471 C22 Ryd(5p) 0.000073004 - 3.162340948
472 C22 Val(2p) 0.982477533 - -0.218098430
473 C22 Ryd(4p) 0.002290738 - 0.694062148
474 C22 Ryd(3p) 0.000246007 - 0.486087307
475 C22 Ryd(5p) 0.000080094 - 3.034450059
476 C22 Val(2p) 1.083167939 - -0.194803594
477 C22 Ryd(4p) 0.004083058 - 0.825000041
478 C22 Ryd(3p) 0.000190472 - 0.412553456
479 C22 Ryd(5p) 0.000102034 - 3.197241510
480 C22 Ryd(3d) 0.000987393 - 1.831545128
481 C22 Ryd(4d) 0.000130205 - 3.303530933
482 C22 Ryd(3d) 0.000745956 - 1.656830086
483 C22 Ryd(4d) 0.000390741 - 3.373537281
484 C22 Ryd(3d) 0.000809638 - 1.865168566
485 C22 Ryd(4d) 0.000331400 - 3.250781397
486 C22 Ryd(3d) 0.000502869 - 1.367502872
487 C22 Ryd(4d) 0.000215097 - 3.071490564
488 C22 Ryd(3d) 0.000656174 - 1.660647039
489 C22 Ryd(4d) 0.000226876 - 3.268934478
490 H23 Val(1S) 0.768204930 - -0.067412525
491 H23 Ryd(2S) 0.000939576 - 0.551478822
492 H23 Ryd(3S) 0.000297667 - 2.275516708
493 H23 Ryd(2p) 0.000232837 - 2.476977863
494 H23 Ryd(2p) 0.000130511 - 2.190161786
495 H23 Ryd(2p) 0.000200697 - 2.592027982
496 H24 Val(1S) 0.768896523 - -0.065537920
497 H24 Ryd(2S) 0.000448348 - 1.138552876
498 H24 Ryd(3S) 0.000163796 - 1.697042791
499 H24 Ryd(2p) 0.000095409 - 2.261720640
500 H24 Ryd(2p) 0.000196863 - 2.179573534
501 H24 Ryd(2p) 0.000346947 - 2.617620491
502 H25 Val(1S) 0.772340982 - -0.066355000
503 H25 Ryd(2S) 0.000311270 - 0.988387962
504 H25 Ryd(3S) 0.000164136 - 1.829621556
505 H25 Ryd(2p) 0.000253512 - 2.407463041
506 H25 Ryd(2p) 0.000276724 - 2.263800890
507 H25 Ryd(2p) 0.000095301 - 2.349208944
508 H26 Val(1S) 0.769966400 - -0.067972043
509 H26 Ryd(2S) 0.000405332 - 1.208581384
510 H26 Ryd(3S) 0.000175526 - 1.591060951
511 H26 Ryd(2p) 0.000284831 - 2.425235386
512 H26 Ryd(2p) 0.000151306 - 2.145385652
513 H26 Ryd(2p) 0.000217338 - 2.472217656
514 H27 Val(1S) 0.784794005 - -0.087886614
515 H27 Ryd(3S) 0.000664232 - 1.554018142
516 H27 Ryd(2S) 0.000173804 - 1.343492407
517 H27 Ryd(2p) 0.000099203 - 2.279271918
518 H27 Ryd(2p) 0.000203433 - 2.197116310
519 H27 Ryd(2p) 0.000373362 - 2.675291447
520 H28 Val(1S) 0.735088237 - -0.109119476
521 H28 Ryd(2S) 0.000836665 - 1.193006154
522 H28 Ryd(3S) 0.000189374 - 1.499513381
523 H28 Ryd(2p) 0.000133524 - 2.103688887
524 H28 Ryd(2p) 0.000147986 - 2.183185240
525 H28 Ryd(2p) 0.000257999 - 2.728289963
526 H29 Val(1S) 0.764073005 - -0.095005663
527 H29 Ryd(2S) 0.000801798 - 1.265393339
528 H29 Ryd(3S) 0.000188810 - 1.444334774
529 H29 Ryd(2p) 0.000211290 - 2.557959535
530 H29 Ryd(2p) 0.000137146 - 2.382942051
531 H29 Ryd(2p) 0.000151204 - 2.140652264
532 H30 Val(1S) 0.755712099 - -0.104196124
533 H30 Ryd(2S) 0.000836716 - 0.877458569
534 H30 Ryd(3S) 0.000123526 - 1.795266313
535 H30 Ryd(2p) 0.000249339 - 2.667838901
536 H30 Ryd(2p) 0.000146435 - 2.141555069
537 H30 Ryd(2p) 0.000129530 - 1.971946578
538 H31 Val(1S) 0.755796419 - -0.097414587
539 H31 Ryd(2S) 0.000618390 - 0.616487106
540 H31 Ryd(3S) 0.000152536 - 2.020828520
541 H31 Ryd(2p) 0.000110498 - 2.037842168
542 H31 Ryd(2p) 0.000206714 - 2.515721439
543 H31 Ryd(2p) 0.000190025 - 2.267534070
544 O32 Cor(1S) 1.999737463 - -18.995317430
545 O32 Val(2S) 1.692632436 - -1.039057198
546 O32 Ryd(4S) 0.000621947 - 1.546881885
547 O32 Ryd(3S) 0.000142585 - 1.410376950
548 O32 Ryd(5S) 0.000000613 - 49.014377850
549 O32 Val(2p) 1.507426055 - -0.424021564
550 O32 Ryd(3p) 0.001574885 - 0.612323556
551 O32 Ryd(4p) 0.000152101 - 1.114327035
552 O32 Ryd(5p) 0.000035907 - 5.150432111
553 O32 Val(2p) 1.551539382 - -0.415728323
554 O32 Ryd(3p) 0.002920734 - 0.634778244
555 O32 Ryd(4p) 0.000129318 - 1.315678966
556 O32 Ryd(5p) 0.000025220 - 5.139162359
557 O32 Val(2p) 1.753687668 - -0.422907190
558 O32 Ryd(3p) 0.004017835 - 0.589564379
559 O32 Ryd(4p) 0.000199231 - 1.117430666
560 O32 Ryd(5p) 0.000030719 - 5.105106138
561 O32 Ryd(3d) 0.003618957 - 1.750336606
562 O32 Ryd(4d) 0.000032256 - 6.813505855
563 O32 Ryd(3d) 0.004569733 - 1.705842193
564 O32 Ryd(4d) 0.000022361 - 6.803874033
565 O32 Ryd(3d) 0.003795875 - 1.647933165
566 O32 Ryd(4d) 0.000012434 - 6.793956207
567 O32 Ryd(3d) 0.003549807 - 1.497554113
568 O32 Ryd(4d) 0.000011186 - 6.724985333
569 O32 Ryd(3d) 0.003762483 - 1.595941865
570 O32 Ryd(4d) 0.000053953 - 6.795850414
571 H33 Val(1S) 0.757154411 - -0.071288012
572 H33 Ryd(2S) 0.001050601 - 0.900641006
573 H33 Ryd(3S) 0.000106185 - 1.698478059
574 H33 Ryd(2p) 0.000118825 - 1.847639171
575 H33 Ryd(2p) 0.000112131 - 1.869548052
576 H33 Ryd(2p) 0.000252759 - 2.713155700
577 H34 Val(1S) 0.755467966 - -0.093785335
578 H34 Ryd(2S) 0.000602574 - 0.582660391
579 H34 Ryd(3S) 0.000088668 - 1.992386423
580 H34 Ryd(2p) 0.000115317 - 1.888452331
581 H34 Ryd(2p) 0.000224923 - 2.527238473
582 H34 Ryd(2p) 0.000136249 - 1.935581829
583 H35 Val(1S) 0.763782090 - -0.093141827
584 H35 Ryd(2S) 0.000593291 - 0.519188523
585 H35 Ryd(3S) 0.000081250 - 2.061088247
586 H35 Ryd(2p) 0.000236155 - 2.651537469
587 H35 Ryd(2p) 0.000106648 - 1.846749416
588 H35 Ryd(2p) 0.000119072 - 1.887694075

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(C2) 1s(28.03%)p2.56(71.81%)d0.01(0.16%) 1.007217009 - -0.248396235
2 BD(1)C2(C1) 2s(36.13%)p1.77(63.84%)d0.00(0.03%) 1.019159393 - -0.269242844
3 BD(1)C1(H33) 1s(25.13%)p2.98(74.79%)d0.00(0.08%) 1.233219479 - -0.273480619
4 BD(1)H33(C1) 33s(99.98%)p0.00(0.02%) 0.757347579 - -0.069576579
5 BD(1)C1(H34) 1s(23.11%)p3.32(76.77%)d0.01(0.12%) 1.208537931 - -0.275251880
6 BD(1)H34(C1) 34s(99.98%)p0.00(0.02%) 0.755642529 - -0.092497930
7 BD(1)C1(H35) 1s(23.70%)p3.22(76.19%)d0.00(0.11%) 1.209451349 - -0.274443515
8 BD(1)H35(C1) 35s(99.98%)p0.00(0.02%) 0.763964301 - -0.091761296
9 BD(1)C2(C3) 2s(34.01%)p1.94(65.95%)d0.00(0.04%) 0.985550532 - -0.256697706
10 BD(1)C3(C2) 3s(26.48%)p2.77(73.38%)d0.01(0.14%) 1.055603158 - -0.274965335
11 BD(1)C2(O32) 2s(29.89%)p2.34(69.98%)d0.00(0.12%) 0.683305663 - -0.103452660
12 BD(1)O32(C2) 32s(42.98%)p1.32(56.53%)d0.01(0.49%) 1.328656689 - -0.655982939
13 BD(2)C2(O32) 2s(0.01%)p1.00(99.83%)d0.00(0.17%) 0.677426099 - -0.249045335
14 BD(2)O32(C2) 32s(0.02%)p99.99(99.58%)d17.15(0.40%) 1.409790065 - -0.400559621
15 BD(1)C3(C4) 3s(28.05%)p2.56(71.86%)d0.00(0.08%) 0.971139445 - -0.258765814
16 BD(1)C4(C3) 4s(27.68%)p2.61(72.25%)d0.00(0.07%) 1.007474276 - -0.270651759
17 BD(1)C3(H30) 3s(22.29%)p3.48(77.60%)d0.00(0.11%) 1.213111212 - -0.290072535
18 BD(1)H30(C3) 30s(99.98%)p0.00(0.02%) 0.755902936 - -0.102355090
19 BD(1)C3(H31) 3s(23.13%)p3.32(76.79%)d0.00(0.08%) 1.221412613 - -0.287933676
20 BD(1)H31(C3) 31s(99.97%)p0.00(0.03%) 0.756007884 - -0.095814704
21 BD(1)C4(C5) 4s(29.14%)p2.43(70.71%)d0.01(0.15%) 0.995978706 - -0.271749054
22 BD(1)C5(C4) 5s(31.74%)p2.15(68.22%)d0.00(0.04%) 1.002779097 - -0.277546564
23 BD(1)C4(H28) 4s(20.50%)p3.87(79.38%)d0.01(0.11%) 1.208604987 - -0.294828873
24 BD(1)H28(C4) 28s(99.98%)p0.00(0.02%) 0.735276172 - -0.107191260
25 BD(1)C4(H29) 4s(22.64%)p3.41(77.27%)d0.00(0.10%) 1.223485670 - -0.289336375
26 BD(1)H29(C4) 29s(99.98%)p0.00(0.02%) 0.764264211 - -0.093108254
27 BD(1)C5(C6) 5s(34.55%)p1.89(65.38%)d0.00(0.07%) 0.982333496 - -0.234072905
28 BD(1)C6(C5) 6s(33.37%)p1.99(66.54%)d0.00(0.09%) 1.019632215 - -0.250310474
29 BD(1)C5(C17) 5s(33.55%)p1.98(66.38%)d0.00(0.07%) 0.981227423 - -0.238049648
30 BD(1)C17(C5) 17s(32.98%)p2.03(66.94%)d0.00(0.08%) 1.020639044 - -0.253952220
31 BD(1)C6(C7) 6s(33.30%)p2.00(66.64%)d0.00(0.06%) 1.035473391 - -0.234510413
32 BD(1)C7(C6) 7s(34.64%)p1.88(65.27%)d0.00(0.09%) 0.960675730 - -0.195607273
33 BD(1)C6(C11) 6s(33.17%)p2.01(66.77%)d0.00(0.07%) 1.033221389 - -0.235747238
34 BD(1)C11(C6) 11s(34.56%)p1.89(65.35%)d0.00(0.09%) 0.961553000 - -0.198868030
35 BD(2)C6(C11) 6s(0.05%)p99.99(99.94%)d0.29(0.01%) 1.043791089 - -0.255813295
36 BD(2)C11(C6) 11s(0.06%)p99.99(99.89%)d0.63(0.04%) 0.917675580 - -0.248391237
37 BD(1)C7(C8) 7s(36.43%)p1.74(63.48%)d0.00(0.09%) 1.005805133 - -0.200269885
38 BD(1)C8(C7) 8s(35.82%)p1.79(64.06%)d0.00(0.12%) 0.987213567 - -0.191060453
39 BD(2)C7(C8) 7s(0.01%)p1.00(99.95%)d0.00(0.04%) 0.923190605 - -0.246901875
40 BD(2)C8(C7) 8s(0.00%)p1.00(99.95%)d0.00(0.04%) 0.971458733 - -0.240591695
41 BD(1)C7(H16) 7s(28.79%)p2.47(71.15%)d0.00(0.07%) 1.212808504 - -0.271604583
42 BD(1)H16(C7) 16s(99.97%)p0.00(0.03%) 0.779578697 - -0.076086473
43 BD(1)C8(C9) 8s(35.08%)p1.85(64.81%)d0.00(0.11%) 1.001760769 - -0.203216659
44 BD(1)C9(C8) 9s(35.41%)p1.82(64.48%)d0.00(0.11%) 0.993862879 - -0.199279322
45 BD(1)C8(H15) 8s(28.96%)p2.45(70.99%)d0.00(0.04%) 1.221605278 - -0.266237795
46 BD(1)H15(C8) 15s(99.96%)p0.00(0.04%) 0.769689999 - -0.063914620
47 BD(1)C9(C10) 9s(35.63%)p1.80(64.26%)d0.00(0.11%) 0.993185094 - -0.197092876
48 BD(1)C10(C9) 10s(35.25%)p1.83(64.64%)d0.00(0.11%) 1.002466977 - -0.201776968
49 BD(2)C9(C10) 9s(0.00%)p1.00(99.94%)d0.00(0.05%) 0.885102709 - -0.240893836
50 BD(2)C10(C9) 10s(0.00%)p1.00(99.95%)d0.00(0.05%) 0.978284052 - -0.240935621
51 BD(1)C9(H14) 9s(28.82%)p2.47(71.13%)d0.00(0.05%) 1.219418191 - -0.266477521
52 BD(1)H14(C9) 14s(99.96%)p0.00(0.04%) 0.772672389 - -0.065076248
53 BD(1)C10(C11) 10s(35.63%)p1.80(64.25%)d0.00(0.12%) 0.987410943 - -0.192849228
54 BD(1)C11(C10) 11s(36.27%)p1.75(63.64%)d0.00(0.09%) 1.005621190 - -0.202637837
55 BD(1)C10(H13) 10s(28.99%)p2.45(70.97%)d0.00(0.04%) 1.222094168 - -0.266628423
56 BD(1)H13(C10) 13s(99.96%)p0.00(0.04%) 0.768990977 - -0.063929232
57 BD(1)C11(H12) 11s(28.98%)p2.45(70.95%)d0.00(0.07%) 1.219077041 - -0.272926610
58 BD(1)H12(C11) 12s(99.97%)p0.00(0.03%) 0.772630926 - -0.070871076
59 BD(1)C17(C18) 17s(33.44%)p1.99(66.49%)d0.00(0.06%) 1.030733131 - -0.233740455
60 BD(1)C18(C17) 18s(34.91%)p1.86(64.99%)d0.00(0.10%) 0.963810747 - -0.199592027
61 BD(1)C17(C22) 17s(33.43%)p1.99(66.50%)d0.00(0.07%) 1.033641899 - -0.234574075
62 BD(1)C22(C17) 22s(34.66%)p1.88(65.25%)d0.00(0.09%) 0.960119394 - -0.196084847
63 BD(2)C17(C22) 17s(0.03%)p99.99(99.96%)d0.33(0.01%) 1.050534968 - -0.258393221
64 BD(2)C22(C17) 22s(0.05%)p99.99(99.90%)d0.78(0.04%) 0.922827155 - -0.245523305
65 BD(1)C18(C19) 18s(36.35%)p1.75(63.55%)d0.00(0.09%) 1.008538544 - -0.205779137
66 BD(1)C19(C18) 19s(35.70%)p1.80(64.19%)d0.00(0.11%) 0.984272158 - -0.192254150
67 BD(2)C18(C19) 18s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.954639599 - -0.253256924
68 BD(2)C19(C18) 19s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.973594902 - -0.241998798
69 BD(1)C18(H27) 18s(28.59%)p2.50(71.36%)d0.00(0.05%) 1.207183439 - -0.275208113
70 BD(1)H27(C18) 27s(99.96%)p0.00(0.04%) 0.785126632 - -0.085414298
71 BD(1)C19(C20) 19s(35.26%)p1.83(64.63%)d0.00(0.11%) 1.002684280 - -0.203187416
72 BD(1)C20(C19) 20s(35.42%)p1.82(64.46%)d0.00(0.11%) 0.992570751 - -0.197734522
73 BD(1)C19(H26) 19s(28.90%)p2.46(71.05%)d0.00(0.04%) 1.220683889 - -0.267245521
74 BD(1)H26(C19) 26s(99.96%)p0.00(0.04%) 0.770305318 - -0.065750020
75 BD(1)C20(C21) 20s(35.58%)p1.81(64.31%)d0.00(0.11%) 0.993795522 - -0.196697751
76 BD(1)C21(C20) 21s(35.28%)p1.83(64.62%)d0.00(0.11%) 1.001714440 - -0.200719837
77 BD(2)C20(C21) 20s(0.00%)p1.00(99.95%)d0.00(0.05%) 0.902167410 - -0.240700247
78 BD(2)C21(C20) 21s(0.00%)p1.00(99.95%)d0.00(0.05%) 0.973719542 - -0.240177536
79 BD(1)C20(H25) 20s(28.85%)p2.46(71.10%)d0.00(0.05%) 1.219317931 - -0.265544265
80 BD(1)H25(C20) 25s(99.96%)p0.00(0.04%) 0.772670249 - -0.064378389
81 BD(1)C21(C22) 21s(35.68%)p1.80(64.21%)d0.00(0.11%) 0.987905293 - -0.192434120
82 BD(1)C22(C21) 22s(36.21%)p1.76(63.70%)d0.00(0.09%) 1.005090688 - -0.201679664
83 BD(1)C21(H24) 21s(28.91%)p2.46(71.05%)d0.00(0.04%) 1.221775158 - -0.265817455
84 BD(1)H24(C21) 24s(99.96%)p0.00(0.04%) 0.769235833 - -0.063305212
85 BD(1)C22(H23) 22s(28.96%)p2.45(70.97%)d0.00(0.07%) 1.223038414 - -0.271258868
86 BD(1)H23(C22) 23s(99.97%)p0.00(0.03%) 0.768439084 - -0.065174365
87 CR(1)C1 s(100.00%)p0.00(0.00%) 1.999242697 - -10.154390610
88 CR(1)C2 s(100.00%)p0.00(0.00%) 1.999373038 - -10.277539216
89 CR(1)C3 s(100.00%)p0.00(0.00%) 1.999173403 - -10.184680186
90 CR(1)C4 s(100.00%)p0.00(0.00%) 1.999121274 - -10.187356886
91 CR(1)C5 s(100.00%) 1.998979876 - -10.250509245
92 CR(1)C6 s(100.00%)p0.00(0.00%) 1.998827907 - -10.184396240
93 CR(1)C7 s(100.00%)p0.00(0.00%) 1.999063452 - -10.174669963
94 CR(1)C8 s(100.00%)p0.00(0.00%) 1.999147819 - -10.164448845
95 CR(1)C9 s(100.00%)p0.00(0.00%) 1.999166408 - -10.175249050
96 CR(1)C10 s(100.00%)p0.00(0.00%) 1.999140725 - -10.163460829
97 CR(1)C11 s(100.00%)p0.00(0.00%) 1.999071010 - -10.176920775
98 CR(1)C17 s(100.00%)p0.00(0.00%) 1.998841631 - -10.183187415
99 CR(1)C18 s(100.00%)p0.00(0.00%) 1.999065374 - -10.176489110
100 CR(1)C19 s(100.00%)p0.00(0.00%) 1.999148315 - -10.165419651
101 CR(1)C20 s(100.00%)p0.00(0.00%) 1.999164319 - -10.172759226
102 CR(1)C21 s(100.00%)p0.00(0.00%) 1.999140575 - -10.163307571
103 CR(1)C22 s(100.00%)p0.00(0.00%) 1.999068460 - -10.173532654
104 CR(1)O32 s(100.00%)p0.00(0.00%) 1.999736061 - -18.996431272
105 LP*(1)C5 s(0.08%)p99.99(99.90%)d0.23(0.02%) 0.669768773 - -0.263097758
106 LP(1)O32 s(54.97%)p0.82(44.92%)d0.00(0.11%) 1.973589762 - -0.818834937
107 LP(2)O32 s(1.98%)p49.30(97.76%)d0.13(0.25%) 1.814535951 - -0.426578239
108 RY*(1)C1 s(2.60%)p36.38(94.45%)d1.14(2.95%) 0.002556594 - 0.724280477
109 RY*(2)C1 s(19.58%)p2.00(39.18%)d2.11(41.23%) 0.000970244 - 0.871894348
110 RY*(3)C1 s(3.06%)p19.98(61.15%)d11.70(35.79%) 0.000414993 - 0.943421058
111 RY*(4)C1 s(2.03%)p19.78(40.16%)d28.47(57.81%) 0.000317091 - 0.809069176
112 RY*(5)C1 s(8.68%)p1.92(16.70%)d8.60(74.62%) 0.000143253 - 1.003675614
113 RY*(6)C1 s(27.20%)p2.14(58.16%)d0.54(14.64%) 0.000102377 - 1.032239214
114 RY*(7)C1 s(3.46%)p18.67(64.68%)d9.20(31.86%) 0.000080899 - 2.945471824
115 RY*(8)C1 s(2.40%)p19.10(45.92%)d21.49(51.67%) 0.000031118 - 0.984488195
116 RY*(9)C1 s(3.78%)p25.09(94.75%)d0.39(1.47%) 0.000002086 - 2.532965462
117 RY*(10)C1 s(98.02%)p0.02(1.81%)d0.00(0.18%) 0.000000132 - 22.461135114
118 RY*(11)C1 s(37.02%)p1.40(51.71%)d0.30(11.27%) 0.000004822 - 1.108542051
119 RY*(12)C1 s(5.39%)p16.70(90.08%)d0.84(4.53%) 0.000005676 - 0.725402606
120 RY*(13)C1 s(1.99%)p3.82(7.59%)d45.50(90.42%) 0.000005090 - 1.371629841
121 RY*(14)C1 s(0.64%)p7.76(4.94%)d99.99(94.43%) 0.000002201 - 3.051944620
122 RY*(15)C1 s(1.32%)p65.91(87.06%)d8.80(11.62%) 0.000002605 - 2.306105138
123 RY*(16)C1 s(0.35%)p6.69(2.34%)d99.99(97.31%) 0.000000448 - 3.228419844
124 RY*(17)C1 s(79.08%)p0.12(9.48%)d0.14(11.44%) 0.000007564 - 0.789783786
125 RY*(18)C1 s(1.01%)p1.80(1.82%)d96.20(97.17%) 0.000000477 - 3.258991687
126 RY*(19)C1 s(0.11%)p99.99(21.15%)d99.99(78.74%) 0.000006227 - 1.275840395
127 RY*(20)C1 s(0.44%)p12.64(5.54%)d99.99(94.02%) 0.000002913 - 2.533989291
128 RY*(21)C1 s(1.37%)p70.66(96.80%)d1.34(1.83%) 0.000009086 - 0.321423792
129 RY*(22)C1 s(0.51%)p9.84(4.98%)d99.99(94.52%) 0.000001212 - 3.353487313
130 RY*(1)C2 s(18.52%)p4.39(81.24%)d0.01(0.24%) 0.016002457 - 0.810921726
131 RY*(2)C2 s(2.23%)p36.47(81.20%)d7.45(16.58%) 0.003585016 - 1.462865221
132 RY*(3)C2 s(0.06%)p99.99(41.11%)d99.99(58.83%) 0.001857722 - 2.025140193
133 RY*(4)C2 s(0.65%)p80.53(52.71%)d71.24(46.63%) 0.001570237 - 1.461716933
134 RY*(5)C2 s(8.38%)p3.81(31.97%)d7.12(59.65%) 0.000844798 - 2.125095645
135 RY*(6)C2 s(18.55%)p0.90(16.67%)d3.49(64.78%) 0.000513472 - 1.653216837
136 RY*(7)C2 s(4.86%)p18.17(88.27%)d1.41(6.87%) 0.000304267 - 1.826134632
137 RY*(8)C2 s(37.92%)p0.45(17.23%)d1.18(44.84%) 0.000267033 - 1.495636723
138 RY*(9)C2 s(14.05%)p3.17(44.60%)d2.94(41.36%) 0.000121967 - 2.320419420
139 RY*(10)C2 s(12.57%)p2.93(36.84%)d4.02(50.59%) 0.000061700 - 3.646042429
140 RY*(11)C2 s(73.25%)p0.15(11.26%)d0.21(15.49%) 0.000029948 - 0.867155046
141 RY*(12)C2 s(1.68%)p43.07(72.38%)d15.44(25.94%) 0.000039558 - 1.573608559
142 RY*(13)C2 s(1.24%)p30.41(37.70%)d49.25(61.06%) 0.000012531 - 2.452278078
143 RY*(14)C2 s(2.34%)p33.84(79.34%)d7.81(18.31%) 0.000015791 - 2.211392099
144 RY*(15)C2 s(82.39%)p0.06(5.08%)d0.15(12.53%) 0.000003643 - 18.507506523
145 RY*(16)C2 s(3.69%)p1.70(6.26%)d24.43(90.06%) 0.000002221 - 2.745475088
146 RY*(17)C2 s(3.05%)p26.59(81.10%)d5.20(15.85%) 0.000005226 - 2.595335627
147 RY*(18)C2 s(0.35%)p4.11(1.44%)d99.99(98.21%) 0.000002567 - 3.049590511
148 RY*(19)C2 s(1.09%)p85.08(92.59%)d5.81(6.32%) 0.000004350 - 2.602330680
149 RY*(20)C2 s(3.94%)p2.76(10.87%)d21.61(85.19%) 0.000003692 - 2.461826552
150 RY*(21)C2 s(8.46%)p0.25(2.08%)d10.58(89.47%) 0.000003627 - 2.785370755
151 RY*(22)C2 s(0.69%)p12.23(8.45%)d99.99(90.86%) 0.000002176 - 3.012332853
152 RY*(1)C3 s(0.23%)p99.99(94.17%)d24.01(5.60%) 0.003033530 - 0.813584426
153 RY*(2)C3 s(16.65%)p4.34(72.18%)d0.67(11.17%) 0.001830169 - 0.828155338
154 RY*(3)C3 s(0.89%)p98.40(87.39%)d13.20(11.72%) 0.001408624 - 0.712640326
155 RY*(4)C3 s(21.36%)p1.13(24.06%)d2.56(54.59%) 0.000511647 - 1.017588631
156 RY*(5)C3 s(20.93%)p1.30(27.11%)d2.48(51.96%) 0.000399238 - 1.294042162
157 RY*(6)C3 s(23.91%)p1.65(39.47%)d1.53(36.62%) 0.000246913 - 1.583223287
158 RY*(7)C3 s(12.68%)p2.48(31.40%)d4.41(55.92%) 0.000194287 - 1.421814477
159 RY*(8)C3 s(0.96%)p45.89(43.93%)d57.58(55.11%) 0.000147432 - 2.549615194
160 RY*(9)C3 s(2.14%)p14.54(31.15%)d31.12(66.70%) 0.000099722 - 1.172598816
161 RY*(10)C3 s(1.62%)p27.93(45.25%)d32.79(53.13%) 0.000098442 - 1.990500854
162 RY*(11)C3 s(6.94%)p8.06(55.96%)d5.34(37.09%) 0.000070647 - 1.928183512
163 RY*(12)C3 s(0.20%)p99.99(69.27%)d99.99(30.54%) 0.000039658 - 0.786570099
164 RY*(13)C3 s(5.54%)p3.08(17.05%)d13.97(77.41%) 0.000043519 - 3.052339743
165 RY*(14)C3 s(0.18%)p22.95(4.06%)d99.99(95.77%) 0.000004499 - 3.193477020
166 RY*(15)C3 s(0.68%)p99.99(85.41%)d20.40(13.91%) 0.000007489 - 2.972400870
167 RY*(16)C3 s(66.69%)p0.27(18.31%)d0.22(15.00%) 0.000014039 - 1.156732368
168 RY*(17)C3 s(2.33%)p20.36(47.49%)d21.52(50.18%) 0.000009458 - 2.255971762
169 RY*(18)C3 s(1.05%)p4.09(4.29%)d90.27(94.66%) 0.000004988 - 2.860727836
170 RY*(19)C3 s(12.02%)p1.50(18.05%)d5.82(69.93%) 0.000009944 - 2.361469442
171 RY*(20)C3 s(1.70%)p43.46(73.86%)d14.38(24.44%) 0.000011519 - 0.912787129
172 RY*(21)C3 s(96.38%)p0.02(1.93%)d0.02(1.69%) 0.000000717 - 22.250851621
173 RY*(22)C3 s(4.98%)p1.72(8.58%)d17.34(86.43%) 0.000003913 - 2.578930443
174 RY*(1)C4 s(4.83%)p19.08(92.09%)d0.64(3.08%) 0.005728034 - 0.805458921
175 RY*(2)C4 s(0.91%)p99.99(92.34%)d7.37(6.74%) 0.002342696 - 0.760911333
176 RY*(3)C4 s(3.44%)p24.39(83.82%)d3.71(12.75%) 0.000995422 - 0.954088314
177 RY*(4)C4 s(55.77%)p0.29(16.04%)d0.51(28.19%) 0.000713272 - 1.445949882
178 RY*(5)C4 s(1.88%)p11.17(20.97%)d41.12(77.16%) 0.000421911 - 1.202244008
179 RY*(6)C4 s(0.40%)p12.90(5.11%)d99.99(94.49%) 0.000328881 - 1.629848134
180 RY*(7)C4 s(15.94%)p0.77(12.34%)d4.50(71.71%) 0.000232851 - 1.450459472
181 RY*(8)C4 s(2.34%)p31.86(74.58%)d9.86(23.08%) 0.000130139 - 1.747565533
182 RY*(9)C4 s(3.69%)p9.62(35.47%)d16.50(60.84%) 0.000109332 - 1.554602094
183 RY*(10)C4 s(1.06%)p11.26(11.89%)d82.48(87.06%) 0.000091367 - 2.050687456
184 RY*(11)C4 s(7.03%)p5.16(36.33%)d8.05(56.64%) 0.000065541 - 1.655044434
185 RY*(12)C4 s(5.36%)p10.47(56.12%)d7.18(38.51%) 0.000044304 - 3.724563369
186 RY*(13)C4 s(3.05%)p25.47(77.64%)d6.34(19.31%) 0.000039435 - 2.025300122
187 RY*(14)C4 s(4.68%)p11.16(52.24%)d9.21(43.08%) 0.000023026 - 2.426580966
188 RY*(15)C4 s(6.45%)p7.33(47.32%)d7.17(46.23%) 0.000024116 - 1.719093285
189 RY*(16)C4 s(4.34%)p13.87(60.23%)d8.16(35.43%) 0.000013438 - 2.270246713
190 RY*(17)C4 s(90.62%)p0.08(7.03%)d0.03(2.34%) 0.000000827 - 20.419165687
191 RY*(18)C4 s(1.62%)p42.47(68.76%)d18.29(29.62%) 0.000007528 - 3.013027135
192 RY*(19)C4 s(82.52%)p0.15(12.76%)d0.06(4.73%) 0.000004309 - 1.359789281
193 RY*(20)C4 s(2.07%)p11.15(23.08%)d36.14(74.85%) 0.000007604 - 2.836227994
194 RY*(21)C4 s(0.33%)p28.42(9.29%)d99.99(90.39%) 0.000004713 - 2.742501422
195 RY*(22)C4 s(1.72%)p2.88(4.95%)d54.21(93.33%) 0.000009703 - 3.251717252
196 RY*(1)C5 s(3.38%)p28.02(94.77%)d0.55(1.85%) 0.007453257 - 0.755832380
197 RY*(2)C5 s(1.23%)p77.14(95.04%)d3.02(3.73%) 0.006152482 - 0.796343706
198 RY*(3)C5 s(7.76%)p11.13(86.44%)d0.75(5.80%) 0.003452254 - 1.048585051
199 RY*(4)C5 s(16.15%)p4.81(77.65%)d0.38(6.20%) 0.002400243 - 0.846371313
200 RY*(5)C5 s(15.76%)p4.42(69.57%)d0.93(14.68%) 0.001943587 - 0.891792780
201 RY*(6)C5 s(50.51%)p0.46(23.20%)d0.52(26.29%) 0.001198952 - 1.180720045
202 RY*(7)C5 s(17.06%)p0.74(12.58%)d4.12(70.36%) 0.000804303 - 1.714764747
203 RY*(8)C5 s(27.28%)p0.75(20.41%)d1.92(52.30%) 0.000628527 - 1.343296582
204 RY*(9)C5 s(24.86%)p0.71(17.57%)d2.32(57.57%) 0.000579521 - 1.708456212
205 RY*(10)C5 s(14.39%)p1.51(21.79%)d4.43(63.81%) 0.000397396 - 2.145732013
206 RY*(11)C5 s(6.72%)p1.41(9.50%)d12.46(83.78%) 0.000272483 - 2.266209147
207 RY*(12)C5 s(5.51%)p9.82(54.12%)d7.32(40.37%) 0.000272304 - 1.667909806
208 RY*(13)C5 s(7.14%)p1.49(10.65%)d11.52(82.21%) 0.000193663 - 2.606663308
209 RY*(14)C5 s(2.84%)p4.58(13.00%)d29.65(84.16%) 0.000099544 - 2.813400886
210 RY*(15)C5 s(0.09%)p99.99(16.28%)d99.99(83.63%) 0.000074534 - 2.436182952
211 RY*(16)C5 s(0.15%)p99.99(21.17%)d99.99(78.68%) 0.000070503 - 2.723271574
212 RY*(17)C5 s(3.73%)p10.49(39.09%)d15.35(57.19%) 0.000043035 - 3.651119235
213 RY*(18)C5 s(1.08%)p2.08(2.26%)d89.17(96.66%) 0.000015164 - 2.889154730
214 RY*(19)C5 s(1.04%)p68.25(70.98%)d26.90(27.98%) 0.000015917 - 2.930594282
215 RY*(20)C5 s(0.38%)p99.99(81.73%)d47.42(17.89%) 0.000010998 - 3.102162821
216 RY*(21)C5 s(92.21%)p0.01(0.87%)d0.08(6.92%) 0.000004576 - 20.582694020
217 RY*(22)C5 s(0.80%)p76.44(61.45%)d46.96(37.75%) 0.000004023 - 3.046043547
218 RY*(1)C6 s(2.89%)p31.82(91.91%)d1.80(5.20%) 0.007451158 - 1.111403745
219 RY*(2)C6 s(0.13%)p99.99(95.33%)d34.57(4.54%) 0.006338635 - 1.020888208
220 RY*(3)C6 s(9.16%)p7.48(68.47%)d2.44(22.37%) 0.001402399 - 1.029152775
221 RY*(4)C6 s(8.02%)p9.96(79.84%)d1.51(12.14%) 0.001365821 - 1.023395948
222 RY*(5)C6 s(0.03%)p99.99(78.76%)d99.99(21.21%) 0.001013248 - 0.917404630
223 RY*(6)C6 s(5.95%)p6.86(40.85%)d8.93(53.19%) 0.000799209 - 1.201142763
224 RY*(7)C6 s(12.41%)p1.27(15.77%)d5.79(71.82%) 0.000513777 - 1.995352794
225 RY*(8)C6 s(13.42%)p0.70(9.39%)d5.75(77.19%) 0.000490183 - 2.411232305
226 RY*(9)C6 s(28.56%)p1.12(31.98%)d1.38(39.46%) 0.000384388 - 1.318577829
227 RY*(10)C6 s(9.63%)p4.77(45.92%)d4.61(44.45%) 0.000286653 - 2.191838200
228 RY*(11)C6 s(3.22%)p3.84(12.36%)d26.22(84.42%) 0.000217119 - 2.442275572
229 RY*(12)C6 s(2.98%)p9.52(28.38%)d23.02(68.64%) 0.000171230 - 2.505369657
230 RY*(13)C6 s(5.93%)p1.68(9.96%)d14.18(84.11%) 0.000099584 - 3.098149747
231 RY*(14)C6 s(0.63%)p44.69(27.96%)d99.99(71.41%) 0.000090477 - 1.737646331
232 RY*(15)C6 s(1.11%)p59.62(66.18%)d29.47(32.71%) 0.000052109 - 3.260127536
233 RY*(16)C6 s(3.09%)p25.37(78.37%)d6.00(18.54%) 0.000060637 - 3.159781658
234 RY*(17)C6 s(0.83%)p13.16(10.92%)d99.99(88.25%) 0.000030411 - 1.964510752
235 RY*(18)C6 s(98.30%)p0.01(1.19%)d0.01(0.51%) 0.000001181 - 1.087997754
236 RY*(19)C6 s(0.03%)p99.99(97.79%)d69.16(2.18%) 0.000006069 - 2.739893222
237 RY*(20)C6 s(0.01%)p99.99(4.20%)d99.99(95.79%) 0.000009344 - 3.178102043
238 RY*(21)C6 s(93.75%)p0.02(2.20%)d0.04(4.05%) 0.000003649 - 19.515747086
239 RY*(22)C6 s(0.03%)p92.96(2.37%)d99.99(97.61%) 0.000004968 - 3.391689875
240 RY*(1)C7 s(0.80%)p99.99(91.73%)d9.35(7.47%) 0.005677100 - 1.228040715
241 RY*(2)C7 s(0.32%)p99.99(93.22%)d20.46(6.47%) 0.002163390 - 1.038389165
242 RY*(3)C7 s(0.65%)p99.99(81.30%)d27.97(18.05%) 0.001195547 - 0.620460490
243 RY*(4)C7 s(54.37%)p0.11(6.01%)d0.73(39.63%) 0.000675284 - 1.792756871
244 RY*(5)C7 s(6.09%)p5.41(32.93%)d10.02(60.99%) 0.000496604 - 2.383864531
245 RY*(6)C7 s(1.39%)p8.13(11.32%)d62.65(87.28%) 0.000464429 - 1.864437693
246 RY*(7)C7 s(23.34%)p0.44(10.23%)d2.85(66.43%) 0.000261109 - 1.709179718
247 RY*(8)C7 s(3.98%)p5.65(22.51%)d18.46(73.50%) 0.000194212 - 2.303077372
248 RY*(9)C7 s(0.51%)p99.99(58.26%)d80.75(41.23%) 0.000091874 - 0.896403765
249 RY*(10)C7 s(10.49%)p5.82(61.06%)d2.71(28.45%) 0.000041643 - 1.852747552
250 RY*(11)C7 s(0.23%)p99.99(34.87%)d99.99(64.90%) 0.000046744 - 3.267038420
251 RY*(12)C7 s(4.35%)p3.16(13.74%)d18.82(81.91%) 0.000045342 - 2.437230073
252 RY*(13)C7 s(77.02%)p0.28(21.40%)d0.02(1.57%) 0.000009665 - 3.475757955
253 RY*(14)C7 s(0.53%)p93.95(50.10%)d92.58(49.37%) 0.000018515 - 1.813228154
254 RY*(15)C7 s(8.33%)p9.40(78.32%)d1.60(13.35%) 0.000009387 - 2.579294832
255 RY*(16)C7 s(1.22%)p19.22(23.41%)d61.89(75.37%) 0.000018129 - 1.345354608
256 RY*(17)C7 s(0.22%)p99.99(94.29%)d25.50(5.50%) 0.000001849 - 2.576407302
257 RY*(18)C7 s(7.54%)p6.40(48.24%)d5.86(44.21%) 0.000011206 - 2.819512105
258 RY*(19)C7 s(0.15%)p99.99(64.07%)d99.99(35.78%) 0.000006165 - 1.271280993
259 RY*(20)C7 s(0.23%)p7.65(1.72%)d99.99(98.05%) 0.000000614 - 3.187646062
260 RY*(21)C7 s(98.28%)p0.00(0.49%)d0.01(1.23%) 0.000002444 - 17.206175037
261 RY*(22)C7 s(0.11%)p8.54(0.94%)d99.99(98.95%) 0.000002061 - 3.364547817
262 RY*(1)C8 s(0.06%)p99.99(91.14%)d99.99(8.80%) 0.006179580 - 1.129469852
263 RY*(2)C8 s(0.43%)p99.99(99.36%)d0.49(0.21%) 0.002169779 - 1.184640472
264 RY*(3)C8 s(0.27%)p99.99(80.67%)d71.77(19.07%) 0.000742740 - 0.326504773
265 RY*(4)C8 s(49.66%)p0.10(4.77%)d0.92(45.56%) 0.000651183 - 2.044969698
266 RY*(5)C8 s(3.14%)p10.55(33.14%)d20.27(63.72%) 0.000394936 - 2.063785446
267 RY*(6)C8 s(0.33%)p6.15(2.02%)d99.99(97.65%) 0.000282980 - 2.681056353
268 RY*(7)C8 s(22.54%)p0.16(3.52%)d3.28(73.94%) 0.000128910 - 1.527930912
269 RY*(8)C8 s(17.27%)p2.01(34.78%)d2.78(47.95%) 0.000095011 - 3.398319454
270 RY*(9)C8 s(6.25%)p7.99(49.95%)d7.01(43.79%) 0.000047313 - 1.650373295
271 RY*(10)C8 s(4.41%)p7.74(34.16%)d13.92(61.43%) 0.000046624 - 2.948827934
272 RY*(11)C8 s(34.64%)p0.63(21.98%)d1.25(43.37%) 0.000026020 - 3.057859049
273 RY*(12)C8 s(6.44%)p2.59(16.70%)d11.94(76.87%) 0.000027468 - 1.799111742
274 RY*(13)C8 s(4.96%)p9.33(46.25%)d9.84(48.79%) 0.000006515 - 2.144848465
275 RY*(14)C8 s(84.89%)p0.07(5.67%)d0.11(9.45%) 0.000000871 - 18.001049345
276 RY*(15)C8 s(7.97%)p1.84(14.65%)d9.71(77.38%) 0.000001354 - 2.197426098
277 RY*(16)C8 s(9.61%)p7.50(72.01%)d1.91(18.38%) 0.000008888 - 1.459989971
278 RY*(17)C8 s(3.86%)p15.67(60.47%)d9.24(35.67%) 0.000004454 - 2.388852642
279 RY*(18)C8 s(0.07%)p38.34(2.76%)d99.99(97.16%) 0.000000549 - 2.364363610
280 RY*(19)C8 s(38.00%)p0.95(35.97%)d0.68(26.03%) 0.000004778 - 1.043541396
281 RY*(20)C8 s(0.37%)p99.99(97.68%)d5.31(1.96%) 0.000006234 - 0.437991147
282 RY*(21)C8 s(0.10%)p99.99(87.74%)d99.99(12.15%) 0.000001336 - 2.538593236
283 RY*(22)C8 s(4.86%)p0.98(4.78%)d18.59(90.36%) 0.000001537 - 3.252752400
284 RY*(1)C9 s(0.72%)p99.99(89.71%)d13.32(9.57%) 0.006094653 - 1.115123353
285 RY*(2)C9 s(0.00%)p1.00(99.80%)d0.00(0.20%) 0.002049775 - 1.202006658
286 RY*(3)C9 s(0.20%)p99.99(78.24%)d99.99(21.55%) 0.000633141 - 0.318606032
287 RY*(4)C9 s(38.28%)p0.10(3.77%)d1.51(57.95%) 0.000599294 - 1.918536348
288 RY*(5)C9 s(0.14%)p99.99(43.05%)d99.99(56.81%) 0.000564535 - 1.565958038
289 RY*(6)C9 s(0.41%)p1.20(0.50%)d99.99(99.09%) 0.000382986 - 2.656978106
290 RY*(7)C9 s(34.82%)p0.13(4.70%)d1.74(60.48%) 0.000136962 - 1.405746884
291 RY*(8)C9 s(35.69%)p1.04(36.98%)d0.77(27.33%) 0.000095246 - 4.283100993
292 RY*(9)C9 s(0.54%)p96.31(51.87%)d88.37(47.59%) 0.000043605 - 3.299947559
293 RY*(10)C9 s(11.91%)p1.02(12.15%)d6.37(75.93%) 0.000026618 - 2.187918212
294 RY*(11)C9 s(10.19%)p6.37(64.99%)d2.43(24.82%) 0.000011509 - 3.019607386
295 RY*(12)C9 s(57.02%)p0.24(13.45%)d0.52(29.53%) 0.000020343 - 2.026012735
296 RY*(13)C9 s(0.06%)p99.99(98.06%)d34.05(1.89%) 0.000013716 - 0.378713691
297 RY*(14)C9 s(1.07%)p39.48(42.29%)d52.88(56.64%) 0.000013694 - 1.945109208
298 RY*(15)C9 s(0.78%)p28.68(22.46%)d98.02(76.76%) 0.000001046 - 1.219170858
299 RY*(16)C9 s(0.38%)p5.65(2.16%)d99.99(97.46%) 0.000000397 - 2.899051654
300 RY*(17)C9 s(0.18%)p99.99(59.64%)d99.99(40.19%) 0.000005209 - 1.639828797
301 RY*(18)C9 s(0.52%)p3.51(1.84%)d99.99(97.63%) 0.000000675 - 1.569457763
302 RY*(19)C9 s(0.23%)p99.99(99.39%)d1.65(0.38%) 0.000000169 - 2.683886003
303 RY*(20)C9 s(14.39%)p4.58(65.87%)d1.37(19.74%) 0.000002529 - 0.618610037
304 RY*(21)C9 s(85.76%)p0.08(6.84%)d0.09(7.40%) 0.000000632 - 18.545247153
305 RY*(22)C9 s(6.84%)p0.35(2.42%)d13.26(90.74%) 0.000000844 - 3.181340963
306 RY*(1)C10 s(0.07%)p99.99(91.30%)d99.99(8.63%) 0.006231961 - 1.128551606
307 RY*(2)C10 s(0.50%)p99.99(99.18%)d0.63(0.32%) 0.002219250 - 1.179706351
308 RY*(3)C10 s(0.40%)p99.99(81.79%)d44.64(17.81%) 0.000818922 - 0.321625242
309 RY*(4)C10 s(52.17%)p0.11(5.55%)d0.81(42.28%) 0.000651925 - 2.033255537
310 RY*(5)C10 s(3.91%)p9.09(35.52%)d15.51(60.58%) 0.000400862 - 2.058576758
311 RY*(6)C10 s(0.03%)p74.06(2.19%)d99.99(97.78%) 0.000282047 - 2.700032491
312 RY*(7)C10 s(24.12%)p0.17(4.22%)d2.97(71.66%) 0.000126523 - 1.444794476
313 RY*(8)C10 s(13.97%)p2.49(34.83%)d3.66(51.20%) 0.000096688 - 4.049222881
314 RY*(9)C10 s(5.22%)p13.56(70.75%)d4.60(24.03%) 0.000051218 - 1.869215479
315 RY*(10)C10 s(2.61%)p29.93(78.05%)d7.42(19.35%) 0.000036056 - 0.926175086
316 RY*(11)C10 s(31.42%)p0.29(9.07%)d1.89(59.52%) 0.000043132 - 1.930330216
317 RY*(12)C10 s(23.58%)p1.02(23.95%)d2.23(52.47%) 0.000018112 - 2.830492860
318 RY*(13)C10 s(2.20%)p35.37(77.72%)d9.14(20.09%) 0.000008286 - 0.885607274
319 RY*(14)C10 s(5.15%)p5.50(28.36%)d12.91(66.49%) 0.000011308 - 2.771841875
320 RY*(15)C10 s(8.37%)p10.16(85.09%)d0.78(6.54%) 0.000010380 - 2.808518066
321 RY*(16)C10 s(1.77%)p4.42(7.84%)d51.00(90.39%) 0.000004763 - 1.455643355
322 RY*(17)C10 s(0.89%)p14.81(13.12%)d97.05(85.99%) 0.000004724 - 1.584679384
323 RY*(18)C10 s(0.27%)p12.13(3.23%)d99.99(96.51%) 0.000001541 - 2.678443460
324 RY*(19)C10 s(85.11%)p0.07(5.82%)d0.11(9.07%) 0.000001433 - 17.840824144
325 RY*(20)C10 s(0.07%)p99.99(98.00%)d26.19(1.93%) 0.000003137 - 2.668746950
326 RY*(21)C10 s(37.53%)p1.11(41.62%)d0.56(20.85%) 0.000008902 - 1.247533083
327 RY*(22)C10 s(0.78%)p3.87(3.01%)d99.99(96.21%) 0.000001620 - 3.219592003
328 RY*(1)C11 s(0.97%)p93.22(90.84%)d8.40(8.19%) 0.005379702 - 1.228575249
329 RY*(2)C11 s(0.80%)p99.99(93.77%)d6.84(5.44%) 0.002048354 - 1.063941899
330 RY*(3)C11 s(1.67%)p44.75(74.55%)d14.28(23.78%) 0.001215435 - 0.775244588
331 RY*(4)C11 s(57.88%)p0.10(5.94%)d0.62(36.18%) 0.000731948 - 1.626249356
332 RY*(5)C11 s(5.86%)p5.47(32.03%)d10.60(62.11%) 0.000536936 - 1.785914036
333 RY*(6)C11 s(5.34%)p5.12(27.37%)d12.59(67.28%) 0.000470168 - 1.903668167
334 RY*(7)C11 s(10.77%)p1.28(13.78%)d7.01(75.45%) 0.000273843 - 1.728687390
335 RY*(8)C11 s(9.06%)p3.37(30.52%)d6.67(60.42%) 0.000215893 - 2.192666238
336 RY*(9)C11 s(4.05%)p8.65(35.06%)d15.02(60.88%) 0.000092801 - 2.108914793
337 RY*(10)C11 s(5.00%)p10.10(50.52%)d8.89(44.47%) 0.000072316 - 1.346620597
338 RY*(11)C11 s(0.51%)p66.24(33.77%)d99.99(65.72%) 0.000048560 - 2.182339526
339 RY*(12)C11 s(2.63%)p33.36(87.59%)d3.73(9.79%) 0.000025145 - 0.779129973
340 RY*(13)C11 s(6.35%)p3.73(23.70%)d11.01(69.95%) 0.000023222 - 2.059536529
341 RY*(14)C11 s(2.29%)p24.86(57.04%)d17.72(40.66%) 0.000026103 - 2.406627663
342 RY*(15)C11 s(3.88%)p7.21(27.95%)d17.57(68.17%) 0.000032502 - 3.137131290
343 RY*(16)C11 s(1.71%)p46.10(78.81%)d11.39(19.48%) 0.000017396 - 2.823565705
344 RY*(17)C11 s(85.85%)p0.13(11.28%)d0.03(2.87%) 0.000004404 - 0.639574882
345 RY*(18)C11 s(1.00%)p8.34(8.35%)d90.45(90.64%) 0.000001355 - 3.034467361
346 RY*(19)C11 s(91.05%)p0.05(4.94%)d0.04(4.01%) 0.000002130 - 19.384093091
347 RY*(20)C11 s(0.16%)p99.99(95.14%)d29.53(4.70%) 0.000004447 - 2.688304249
348 RY*(21)C11 s(1.86%)p8.24(15.31%)d44.58(82.83%) 0.000003057 - 2.746268731
349 RY*(22)C11 s(1.43%)p1.32(1.89%)d67.65(96.68%) 0.000002278 - 3.561674324
350 RY*(1)H12 s(99.00%)p0.01(1.00%) 0.000992375 - 0.580448445
351 RY*(2)H12 s(91.93%)p0.09(8.07%) 0.000325844 - 2.296370236
352 RY*(3)H12 s(1.54%)p63.83(98.46%) 0.000201583 - 1.883201999
353 RY*(4)H12 s(6.32%)p14.82(93.68%) 0.000055055 - 2.675144729
354 RY*(5)H12 s(1.23%)p80.02(98.77%) 0.000048545 - 2.598097229
355 RY*(1)H13 s(99.28%)p0.01(0.72%) 0.000444885 - 1.252367144
356 RY*(2)H13 s(1.17%)p84.32(98.83%) 0.000202217 - 1.804247591
357 RY*(3)H13 s(90.84%)p0.10(9.16%) 0.000174546 - 1.848996875
358 RY*(4)H13 s(2.77%)p35.04(97.23%) 0.000047795 - 2.498016807
359 RY*(5)H13 s(5.98%)p15.74(94.02%) 0.000033077 - 2.488169466
360 RY*(1)H14 s(95.98%)p0.04(4.02%) 0.000312594 - 1.126354104
361 RY*(2)H14 s(3.63%)p26.59(96.37%) 0.000182823 - 1.803569998
362 RY*(3)H14 s(90.21%)p0.11(9.79%) 0.000171421 - 2.013645356
363 RY*(4)H14 s(0.31%)p99.99(99.69%) 0.000046623 - 2.432989870
364 RY*(5)H14 s(9.91%)p9.09(90.09%) 0.000038878 - 2.462537697
365 RY*(1)H15 s(99.43%)p0.01(0.57%) 0.000441379 - 1.267862644
366 RY*(2)H15 s(12.54%)p6.98(87.46%) 0.000211117 - 1.810287823
367 RY*(3)H15 s(79.15%)p0.26(20.85%) 0.000169392 - 1.830022791
368 RY*(4)H15 s(2.53%)p38.55(97.47%) 0.000046566 - 2.500827315
369 RY*(5)H15 s(6.40%)p14.62(93.60%) 0.000033551 - 2.486802588
370 RY*(1)H16 s(98.54%)p0.01(1.46%) 0.001323319 - 0.638607198
371 RY*(2)H16 s(88.57%)p0.13(11.43%) 0.000283879 - 2.283415795
372 RY*(3)H16 s(1.68%)p58.35(98.32%) 0.000219744 - 1.865717727
373 RY*(4)H16 s(10.14%)p8.87(89.86%) 0.000054647 - 2.729224748
374 RY*(5)H16 s(1.10%)p90.26(98.90%) 0.000045249 - 2.515301013
375 RY*(1)C17 s(2.60%)p35.44(92.22%)d1.99(5.17%) 0.007934320 - 1.101172806
376 RY*(2)C17 s(0.08%)p99.99(95.78%)d54.47(4.14%) 0.005433790 - 1.003835087
377 RY*(3)C17 s(24.42%)p2.04(49.69%)d1.06(25.89%) 0.001501078 - 1.049643452
378 RY*(4)C17 s(0.79%)p99.99(84.90%)d18.12(14.31%) 0.001317986 - 0.869010085
379 RY*(5)C17 s(10.77%)p7.31(78.79%)d0.97(10.43%) 0.001038346 - 0.759628941
380 RY*(6)C17 s(7.61%)p5.88(44.74%)d6.26(47.65%) 0.000817598 - 1.795106648
381 RY*(7)C17 s(21.26%)p1.67(35.54%)d2.03(43.20%) 0.000684482 - 1.337892682
382 RY*(8)C17 s(13.24%)p2.03(26.83%)d4.53(59.93%) 0.000590437 - 1.793829151
383 RY*(9)C17 s(1.37%)p3.17(4.33%)d69.01(94.31%) 0.000475581 - 2.146939374
384 RY*(10)C17 s(14.14%)p2.33(32.92%)d3.74(52.93%) 0.000304194 - 2.345975522
385 RY*(11)C17 s(1.45%)p18.00(26.12%)d49.89(72.43%) 0.000214892 - 2.635871151
386 RY*(12)C17 s(1.05%)p33.25(34.81%)d61.26(64.14%) 0.000191931 - 1.666461559
387 RY*(13)C17 s(0.08%)p99.99(30.89%)d99.99(69.03%) 0.000113980 - 1.675694477
388 RY*(14)C17 s(2.54%)p10.22(25.92%)d28.22(71.55%) 0.000085808 - 2.866761661
389 RY*(15)C17 s(3.61%)p21.87(79.05%)d4.80(17.34%) 0.000050545 - 3.440163195
390 RY*(16)C17 s(0.28%)p99.99(44.10%)d99.99(55.62%) 0.000056191 - 3.259254960
391 RY*(17)C17 s(0.15%)p93.99(13.83%)d99.99(86.02%) 0.000037520 - 2.423790738
392 RY*(18)C17 s(0.10%)p42.57(4.39%)d99.99(95.51%) 0.000010614 - 3.159170257
393 RY*(19)C17 s(0.13%)p63.28(8.49%)d99.99(91.37%) 0.000010982 - 3.059102276
394 RY*(20)C17 s(96.24%)p0.02(1.86%)d0.02(1.90%) 0.000004637 - 20.736643570
395 RY*(21)C17 s(0.01%)p1.00(83.68%)d0.19(16.32%) 0.000007980 - 2.723339532
396 RY*(22)C17 s(98.20%)p0.01(1.20%)d0.01(0.59%) 0.000002931 - 0.606395177
397 RY*(1)C18 s(0.42%)p99.99(90.99%)d20.39(8.59%) 0.005888690 - 1.192581047
398 RY*(2)C18 s(0.24%)p99.99(94.83%)d20.77(4.93%) 0.002035242 - 1.046081686
399 RY*(3)C18 s(0.12%)p99.99(83.87%)d99.99(16.01%) 0.001244538 - 0.617122609
400 RY*(4)C18 s(52.85%)p0.11(5.61%)d0.79(41.54%) 0.000700736 - 1.751150968
401 RY*(5)C18 s(0.26%)p73.74(19.09%)d99.99(80.65%) 0.000522203 - 1.720680586
402 RY*(6)C18 s(10.35%)p3.00(31.06%)d5.66(58.58%) 0.000466602 - 2.376226107
403 RY*(7)C18 s(14.49%)p1.41(20.50%)d4.49(65.00%) 0.000266081 - 1.710942151
404 RY*(8)C18 s(15.36%)p1.74(26.73%)d3.77(57.91%) 0.000202345 - 2.392796461
405 RY*(9)C18 s(4.39%)p13.79(60.58%)d7.97(35.02%) 0.000122390 - 1.832239002
406 RY*(10)C18 s(7.23%)p7.23(52.32%)d5.59(40.44%) 0.000069970 - 1.267412205
407 RY*(11)C18 s(6.12%)p2.82(17.23%)d12.53(76.65%) 0.000034840 - 2.029962433
408 RY*(12)C18 s(1.25%)p47.63(59.75%)d31.09(39.00%) 0.000032468 - 1.928394590
409 RY*(13)C18 s(2.64%)p18.88(49.76%)d18.06(47.61%) 0.000033957 - 2.970753091
410 RY*(14)C18 s(0.46%)p45.51(20.71%)d99.99(78.83%) 0.000009708 - 2.841720837
411 RY*(15)C18 s(10.44%)p6.33(66.03%)d2.25(23.53%) 0.000014579 - 2.373570111
412 RY*(16)C18 s(74.02%)p0.30(21.87%)d0.06(4.11%) 0.000006584 - 5.637690192
413 RY*(17)C18 s(91.15%)p0.07(6.81%)d0.02(2.04%) 0.000003581 - 14.787030246
414 RY*(18)C18 s(0.32%)p96.61(30.60%)d99.99(69.08%) 0.000005411 - 2.690258379
415 RY*(19)C18 s(5.71%)p12.71(72.54%)d3.81(21.75%) 0.000009351 - 2.347363988
416 RY*(20)C18 s(0.25%)p95.77(24.35%)d99.99(75.40%) 0.000005212 - 2.404508811
417 RY*(21)C18 s(1.90%)p17.30(32.96%)d34.20(65.14%) 0.000011201 - 2.218396966
418 RY*(22)C18 s(0.15%)p76.94(11.92%)d99.99(87.92%) 0.000007273 - 3.005071948
419 RY*(1)C19 s(0.09%)p99.99(90.42%)d99.99(9.49%) 0.006359905 - 1.125022097
420 RY*(2)C19 s(0.49%)p99.99(99.32%)d0.39(0.19%) 0.002190014 - 1.184609416
421 RY*(3)C19 s(0.07%)p99.99(82.79%)d99.99(17.14%) 0.000859106 - 0.355576891
422 RY*(4)C19 s(51.91%)p0.10(4.93%)d0.83(43.15%) 0.000654791 - 2.012659248
423 RY*(5)C19 s(0.39%)p92.09(35.56%)d99.99(64.05%) 0.000456496 - 2.019004924
424 RY*(6)C19 s(0.35%)p2.86(1.01%)d99.99(98.63%) 0.000303569 - 2.666975853
425 RY*(7)C19 s(26.85%)p0.84(22.50%)d1.89(50.65%) 0.000128706 - 2.172517051
426 RY*(8)C19 s(17.15%)p0.43(7.31%)d4.40(75.54%) 0.000128036 - 1.532297527
427 RY*(9)C19 s(9.84%)p7.47(73.50%)d1.69(16.66%) 0.000062226 - 2.073939080
428 RY*(10)C19 s(29.11%)p1.36(39.46%)d1.08(31.43%) 0.000037785 - 1.169858972
429 RY*(11)C19 s(7.01%)p2.65(18.56%)d10.62(74.43%) 0.000037795 - 3.591377558
430 RY*(12)C19 s(2.52%)p5.64(14.19%)d33.11(83.30%) 0.000012020 - 1.814194325
431 RY*(13)C19 s(48.53%)p0.88(42.82%)d0.18(8.65%) 0.000009878 - 0.594358876
432 RY*(14)C19 s(9.24%)p5.94(54.84%)d3.89(35.92%) 0.000016838 - 2.569882165
433 RY*(15)C19 s(1.40%)p50.80(70.91%)d19.84(27.69%) 0.000005966 - 2.566674645
434 RY*(16)C19 s(3.67%)p5.83(21.38%)d20.44(74.95%) 0.000005370 - 3.425461735
435 RY*(17)C19 s(0.40%)p99.99(76.04%)d59.23(23.56%) 0.000007335 - 0.939915717
436 RY*(18)C19 s(2.30%)p5.10(11.73%)d37.35(85.97%) 0.000003941 - 3.097073488
437 RY*(19)C19 s(83.17%)p0.12(10.35%)d0.08(6.48%) 0.000001155 - 17.803000445
438 RY*(20)C19 s(1.52%)p13.39(20.34%)d51.43(78.14%) 0.000007504 - 2.031584525
439 RY*(21)C19 s(2.88%)p16.58(47.81%)d17.10(49.30%) 0.000007665 - 2.365944447
440 RY*(22)C19 s(1.25%)p43.47(54.38%)d35.47(44.37%) 0.000002065 - 2.573015647
441 RY*(1)C20 s(0.68%)p99.99(89.69%)d14.15(9.63%) 0.006101761 - 1.124711958
442 RY*(2)C20 s(0.00%)p1.00(99.82%)d0.00(0.18%) 0.002068141 - 1.201603373
443 RY*(3)C20 s(1.06%)p73.29(77.93%)d19.75(21.00%) 0.000681722 - 0.354585046
444 RY*(4)C20 s(38.43%)p0.13(5.07%)d1.47(56.50%) 0.000614450 - 1.891039940
445 RY*(5)C20 s(0.02%)p99.99(44.69%)d99.99(55.28%) 0.000559578 - 1.531399380
446 RY*(6)C20 s(0.28%)p2.05(0.58%)d99.99(99.14%) 0.000379868 - 2.662787135
447 RY*(7)C20 s(34.42%)p0.12(4.07%)d1.79(61.51%) 0.000131527 - 1.356128685
448 RY*(8)C20 s(32.54%)p1.08(35.27%)d0.99(32.18%) 0.000093674 - 4.438115845
449 RY*(9)C20 s(0.08%)p99.99(53.63%)d99.99(46.30%) 0.000042440 - 3.330493771
450 RY*(10)C20 s(5.63%)p2.87(16.15%)d13.89(78.22%) 0.000026257 - 2.329500522
451 RY*(11)C20 s(22.40%)p1.56(34.96%)d1.90(42.63%) 0.000026732 - 1.937913533
452 RY*(12)C20 s(29.63%)p0.69(20.35%)d1.69(50.02%) 0.000018467 - 2.274891094
453 RY*(13)C20 s(1.76%)p51.02(89.67%)d4.88(8.57%) 0.000009114 - 0.511241602
454 RY*(14)C20 s(1.76%)p2.45(4.33%)d53.30(93.91%) 0.000001437 - 2.442050552
455 RY*(15)C20 s(11.49%)p7.61(87.41%)d0.10(1.10%) 0.000003746 - 3.003685736
456 RY*(16)C20 s(0.45%)p99.99(46.53%)d99.99(53.02%) 0.000005227 - 1.701255391
457 RY*(17)C20 s(2.87%)p25.85(74.25%)d7.96(22.87%) 0.000003685 - 0.841990684
458 RY*(18)C20 s(1.23%)p10.87(13.42%)d69.14(85.35%) 0.000001026 - 2.069389539
459 RY*(19)C20 s(0.17%)p99.99(21.50%)d99.99(78.33%) 0.000000992 - 1.332082266
460 RY*(20)C20 s(0.42%)p14.83(6.20%)d99.99(93.38%) 0.000000946 - 2.634457336
461 RY*(21)C20 s(26.02%)p2.80(72.94%)d0.04(1.04%) 0.000005838 - 3.186504892
462 RY*(22)C20 s(88.77%)p0.02(1.70%)d0.11(9.52%) 0.000002465 - 17.533873123
463 RY*(1)C21 s(0.12%)p99.99(90.68%)d76.50(9.20%) 0.006208230 - 1.138212426
464 RY*(2)C21 s(0.35%)p99.99(99.43%)d0.62(0.22%) 0.002173601 - 1.180358838
465 RY*(3)C21 s(0.04%)p99.99(82.87%)d99.99(17.08%) 0.000797498 - 0.331523010
466 RY*(4)C21 s(50.32%)p0.10(5.23%)d0.88(44.45%) 0.000671428 - 1.959800486
467 RY*(5)C21 s(3.31%)p10.78(35.62%)d18.48(61.08%) 0.000401090 - 2.033634928
468 RY*(6)C21 s(0.22%)p10.58(2.29%)d99.99(97.49%) 0.000300073 - 2.606998520
469 RY*(7)C21 s(20.21%)p0.15(3.12%)d3.79(76.67%) 0.000128626 - 1.661913809
470 RY*(8)C21 s(16.09%)p2.46(39.55%)d2.76(44.36%) 0.000095094 - 4.091028298
471 RY*(9)C21 s(9.78%)p6.50(63.59%)d2.72(26.63%) 0.000054214 - 1.790909503
472 RY*(10)C21 s(6.82%)p4.51(30.75%)d9.16(62.43%) 0.000038999 - 1.696846885
473 RY*(11)C21 s(3.34%)p19.23(64.27%)d9.69(32.39%) 0.000034970 - 1.349214339
474 RY*(12)C21 s(53.54%)p0.48(25.92%)d0.38(20.55%) 0.000040668 - 1.416056092
475 RY*(13)C21 s(4.57%)p7.41(33.85%)d13.48(61.58%) 0.000012490 - 2.390390333
476 RY*(14)C21 s(0.43%)p33.90(14.58%)d99.99(84.99%) 0.000007478 - 2.922536197
477 RY*(15)C21 s(7.98%)p0.63(5.06%)d10.89(86.96%) 0.000007477 - 3.306711867
478 RY*(16)C21 s(0.30%)p99.99(92.31%)d24.89(7.40%) 0.000004924 - 2.506955219
479 RY*(17)C21 s(0.72%)p74.32(53.21%)d64.35(46.07%) 0.000007088 - 1.476941824
480 RY*(18)C21 s(6.74%)p2.59(17.45%)d11.24(75.81%) 0.000005721 - 1.930422632
481 RY*(19)C21 s(32.61%)p1.47(48.04%)d0.59(19.35%) 0.000009601 - 0.786921500
482 RY*(20)C21 s(79.60%)p0.05(4.33%)d0.20(16.07%) 0.000001613 - 17.264289530
483 RY*(21)C21 s(2.98%)p28.41(84.70%)d4.13(12.32%) 0.000005156 - 2.773535631
484 RY*(22)C21 s(0.07%)p47.53(3.33%)d99.99(96.60%) 0.000003936 - 3.086266810
485 RY*(1)C22 s(0.83%)p99.99(91.11%)d9.67(8.06%) 0.005701475 - 1.236996047
486 RY*(2)C22 s(0.68%)p99.99(94.12%)d7.62(5.20%) 0.002113136 - 1.017155029
487 RY*(3)C22 s(2.43%)p33.91(82.56%)d6.16(15.00%) 0.001483587 - 0.692331316
488 RY*(4)C22 s(53.38%)p0.14(7.31%)d0.74(39.31%) 0.000760027 - 1.725713606
489 RY*(5)C22 s(4.47%)p7.51(33.62%)d13.84(61.91%) 0.000513039 - 2.248370842
490 RY*(6)C22 s(3.10%)p6.96(21.59%)d24.25(75.30%) 0.000457617 - 1.811515877
491 RY*(7)C22 s(22.19%)p0.33(7.34%)d3.18(70.47%) 0.000288951 - 1.492076544
492 RY*(8)C22 s(5.23%)p4.37(22.88%)d13.74(71.89%) 0.000212905 - 2.287260578
493 RY*(9)C22 s(6.44%)p7.47(48.11%)d7.06(45.45%) 0.000134907 - 1.077836441
494 RY*(10)C22 s(5.15%)p9.57(49.30%)d8.84(45.55%) 0.000064967 - 1.602650544
495 RY*(11)C22 s(0.12%)p99.99(29.59%)d99.99(70.29%) 0.000049391 - 3.307037761
496 RY*(12)C22 s(1.30%)p38.90(50.54%)d37.06(48.16%) 0.000038251 - 1.790458179
497 RY*(13)C22 s(9.02%)p5.41(48.80%)d4.68(42.18%) 0.000046054 - 1.381210010
498 RY*(14)C22 s(4.33%)p6.53(28.25%)d15.58(67.42%) 0.000030983 - 2.036618542
499 RY*(15)C22 s(4.27%)p16.97(72.43%)d5.46(23.31%) 0.000015965 - 2.138066562
500 RY*(16)C22 s(7.02%)p10.92(76.59%)d2.34(16.40%) 0.000013334 - 3.288240646
501 RY*(17)C22 s(90.79%)p0.08(7.47%)d0.02(1.74%) 0.000002219 - 17.886007966
502 RY*(18)C22 s(1.06%)p8.16(8.66%)d85.10(90.28%) 0.000005593 - 2.998313595
503 RY*(19)C22 s(76.41%)p0.23(17.76%)d0.08(5.83%) 0.000004527 - 2.334879439
504 RY*(20)C22 s(0.57%)p11.05(6.32%)d99.99(93.11%) 0.000008344 - 2.986460933
505 RY*(21)C22 s(0.69%)p99.99(93.40%)d8.61(5.91%) 0.000008750 - 2.776203421
506 RY*(22)C22 s(0.63%)p3.88(2.44%)d99.99(96.94%) 0.000004215 - 3.224700173
507 RY*(1)H23 s(98.62%)p0.01(1.38%) 0.000952216 - 0.597247733
508 RY*(2)H23 s(93.16%)p0.07(6.84%) 0.000314609 - 2.317872502
509 RY*(3)H23 s(1.50%)p65.78(98.50%) 0.000202719 - 1.868645396
510 RY*(4)H23 s(5.77%)p16.33(94.23%) 0.000054766 - 2.716505251
511 RY*(5)H23 s(0.98%)p99.99(99.02%) 0.000042823 - 2.583654119
512 RY*(1)H24 s(99.46%)p0.01(0.54%) 0.000451354 - 1.174145066
513 RY*(2)H24 s(0.73%)p99.99(99.27%) 0.000202257 - 1.805491993
514 RY*(3)H24 s(93.09%)p0.07(6.91%) 0.000172180 - 1.866419340
515 RY*(4)H24 s(0.38%)p99.99(99.62%) 0.000046042 - 2.474030137
516 RY*(5)H24 s(6.39%)p14.66(93.61%) 0.000040220 - 2.572191087
517 RY*(1)H25 s(96.97%)p0.03(3.03%) 0.000319477 - 1.109545468
518 RY*(2)H25 s(2.63%)p37.07(97.37%) 0.000190594 - 1.803245961
519 RY*(3)H25 s(90.26%)p0.11(9.74%) 0.000174392 - 2.013106486
520 RY*(4)H25 s(9.58%)p9.44(90.42%) 0.000039894 - 2.470939830
521 RY*(5)H25 s(0.61%)p99.99(99.39%) 0.000047321 - 2.439668036
522 RY*(1)H26 s(99.03%)p0.01(0.97%) 0.000409445 - 1.247369164
523 RY*(2)H26 s(9.67%)p9.34(90.33%) 0.000211902 - 1.807966947
524 RY*(3)H26 s(79.73%)p0.25(20.27%) 0.000191161 - 1.876509102
525 RY*(4)H26 s(4.18%)p22.95(95.82%) 0.000043736 - 2.486358291
526 RY*(5)H26 s(7.43%)p12.46(92.57%) 0.000039171 - 2.422055502
527 RY*(1)H27 s(98.20%)p0.02(1.80%) 0.000676725 - 1.584753280
528 RY*(2)H27 s(7.44%)p12.44(92.56%) 0.000217260 - 1.792998499
529 RY*(3)H27 s(85.12%)p0.17(14.88%) 0.000181322 - 1.600643856
530 RY*(4)H27 s(6.47%)p14.47(93.53%) 0.000060929 - 2.584396104
531 RY*(5)H27 s(2.81%)p34.54(97.19%) 0.000045169 - 2.483926170
532 RY*(1)H28 s(97.58%)p0.02(2.42%) 0.000858282 - 1.230858555
533 RY*(2)H28 s(63.37%)p0.58(36.63%) 0.000250383 - 1.663427098
534 RY*(3)H28 s(0.82%)p99.99(99.18%) 0.000143684 - 2.107395976
535 RY*(4)H28 s(35.39%)p1.83(64.61%) 0.000084291 - 1.876242209
536 RY*(5)H28 s(2.86%)p33.95(97.14%) 0.000040974 - 2.827831571
537 RY*(1)H29 s(97.14%)p0.03(2.86%) 0.000825296 - 1.305252878
538 RY*(2)H29 s(68.42%)p0.46(31.58%) 0.000235372 - 1.589416807
539 RY*(3)H29 s(2.28%)p42.95(97.72%) 0.000097232 - 2.198511991
540 RY*(4)H29 s(28.69%)p2.48(71.31%) 0.000093893 - 2.121694870
541 RY*(5)H29 s(3.49%)p27.65(96.51%) 0.000047250 - 2.574508009
542 RY*(1)H30 s(96.96%)p0.03(3.04%) 0.000862934 - 0.934180900
543 RY*(2)H30 s(11.41%)p7.76(88.59%) 0.000154832 - 2.033468502
544 RY*(3)H30 s(87.81%)p0.14(12.19%) 0.000120934 - 1.743175258
545 RY*(4)H30 s(0.62%)p99.99(99.38%) 0.000112936 - 1.966134754
546 RY*(5)H30 s(3.22%)p30.04(96.78%) 0.000043073 - 2.775264983
547 RY*(1)H31 s(95.92%)p0.04(4.08%) 0.000643859 - 0.746302877
548 RY*(2)H31 s(74.89%)p0.34(25.11%) 0.000174272 - 1.991086933
549 RY*(3)H31 s(4.17%)p23.00(95.83%) 0.000134093 - 2.003446066
550 RY*(4)H31 s(21.11%)p3.74(78.89%) 0.000079929 - 2.053963993
551 RY*(5)H31 s(3.95%)p24.33(96.05%) 0.000034545 - 2.662013551
552 RY*(1)O32 s(3.08%)p31.16(95.85%)d0.35(1.08%) 0.005355231 - 0.675437900
553 RY*(2)O32 s(9.63%)p9.24(89.05%)d0.14(1.32%) 0.000928400 - 0.689868965
554 RY*(3)O32 s(19.39%)p4.10(79.53%)d0.06(1.08%) 0.000862820 - 0.683913548
555 RY*(4)O32 s(34.31%)p0.75(25.69%)d1.17(40.00%) 0.000269036 - 1.716800569
556 RY*(5)O32 s(14.59%)p3.52(51.40%)d2.33(34.01%) 0.000153446 - 1.256814289
557 RY*(6)O32 s(20.98%)p2.05(42.95%)d1.72(36.06%) 0.000126684 - 1.470072218
558 RY*(7)O32 s(12.14%)p1.14(13.78%)d6.10(74.09%) 0.000082718 - 2.239668041
559 RY*(8)O32 s(10.64%)p6.82(72.54%)d1.58(16.83%) 0.000055982 - 1.921649940
560 RY*(9)O32 s(12.14%)p0.48(5.77%)d6.76(82.09%) 0.000048712 - 1.650926448
561 RY*(10)O32 s(8.34%)p4.20(35.03%)d6.79(56.63%) 0.000039410 - 2.187579813
562 RY*(11)O32 s(46.81%)p0.63(29.54%)d0.51(23.65%) 0.000023933 - 1.483654592
563 RY*(12)O32 s(0.23%)p99.99(92.86%)d29.62(6.90%) 0.000004660 - 4.808662332
564 RY*(13)O32 s(1.60%)p34.45(55.10%)d27.08(43.31%) 0.000007873 - 1.687401034
565 RY*(14)O32 s(1.35%)p1.17(1.57%)d72.12(97.08%) 0.000001277 - 6.633268556
566 RY*(15)O32 s(1.99%)p48.63(96.82%)d0.59(1.18%) 0.000004419 - 4.875824006
567 RY*(16)O32 s(0.14%)p49.84(6.82%)d99.99(93.04%) 0.000002868 - 6.171749789
568 RY*(17)O32 s(0.07%)p38.75(2.65%)d99.99(97.28%) 0.000009443 - 1.487955245
569 RY*(18)O32 s(0.22%)p5.66(1.27%)d99.99(98.51%) 0.000001825 - 6.690942631
570 RY*(19)O32 s(99.84%)p0.00(0.10%)d0.00(0.06%) 0.000000164 - 49.094741570
571 RY*(20)O32 s(1.28%)p1.41(1.81%)d75.68(96.91%) 0.000005251 - 6.531012314
572 RY*(21)O32 s(0.60%)p99.99(93.95%)d9.02(5.44%) 0.000008159 - 4.868747854
573 RY*(22)O32 s(0.69%)p10.28(7.11%)d99.99(92.20%) 0.000002306 - 6.054883575
574 RY*(1)H33 s(97.10%)p0.03(2.90%) 0.001081083 - 0.947229786
575 RY*(2)H33 s(56.09%)p0.78(43.91%) 0.000135698 - 2.029841195
576 RY*(3)H33 s(9.92%)p9.08(90.08%) 0.000125873 - 1.832435862
577 RY*(4)H33 s(15.18%)p5.59(84.82%) 0.000080199 - 2.012259023
578 RY*(5)H33 s(21.73%)p3.60(78.27%) 0.000024480 - 2.205984688
579 RY*(1)H34 s(91.37%)p0.09(8.63%) 0.000655261 - 0.778025518
580 RY*(2)H34 s(20.24%)p3.94(79.76%) 0.000122701 - 1.815891008
581 RY*(3)H34 s(12.47%)p7.02(87.53%) 0.000120326 - 1.833132778
582 RY*(4)H34 s(68.08%)p0.47(31.92%) 0.000072977 - 2.098548324
583 RY*(5)H34 s(7.87%)p11.71(92.13%) 0.000021904 - 2.399434414
584 RY*(1)H35 s(94.45%)p0.06(5.55%) 0.000625920 - 0.679949028
585 RY*(2)H35 s(21.24%)p3.71(78.76%) 0.000116001 - 1.854105341
586 RY*(3)H35 s(0.75%)p99.99(99.25%) 0.000114010 - 1.833716762
587 RY*(4)H35 s(77.53%)p0.29(22.47%) 0.000072930 - 2.143231168
588 RY*(5)H35 s(6.05%)p15.53(93.95%) 0.000025345 - 2.453874900

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-C2 1, 2 1.982066095 - -0.785191782
2 BD(1)C1-H33 3, 4 1.986472608 - -0.629376026
3 BD(1)C1-H34 5, 6 1.959348212 - -0.629902913
4 BD(1)C1-H35 7, 8 1.968490211 - -0.632341883
5 BD(1)C2-C3 9, 10 1.978696263 - -0.775692288
6 BD(1)C2-O32 11, 12 1.995416156 - -1.227095849
7 BD(2)C2-O32 13, 14 1.981286627 - -0.524284711
8 BD(1)C3-C4 15, 16 1.966124974 - -0.755245895
9 BD(1)C3-H30 17, 18 1.956241354 - -0.644315288
10 BD(1)C3-H31 19, 20 1.967780850 - -0.644302903
11 BD(1)C4-C5 21, 22 1.973360703 - -0.804067718
12 BD(1)C4-H28 23, 24 1.930742698 - -0.640536632
13 BD(1)C4-H29 25, 26 1.974326822 - -0.644646774
14 BD(1)C5-C6 27, 28 1.971834932 - -0.843248945
15 BD(1)C5-C17 29, 30 1.970630849 - -0.837261571
16 BD(1)C6-C7 31, 32 1.969594978 - -0.823639976
17 BD(1)C6-C11 33, 34 1.967900989 - -0.822399786
18 BD(2)C6-C11 35, 36 1.550757068 - -0.388734081
19 BD(1)C7-C8 37, 38 1.978877709 - -0.843991076
20 BD(2)C7-C8 39, 40 1.656761670 - -0.388758918
21 BD(1)C7-H16 41, 42 1.978965304 - -0.655777239
22 BD(1)C8-C9 43, 44 1.979908624 - -0.830733046
23 BD(1)C8-H15 45, 46 1.977726008 - -0.642405370
24 BD(1)C9-C10 47, 48 1.980047575 - -0.833920301
25 BD(2)C9-C10 49, 50 1.581836413 - -0.381338218
26 BD(1)C9-H14 51, 52 1.979497932 - -0.646564530
27 BD(1)C10-C11 53, 54 1.978657165 - -0.842448819
28 BD(1)C10-H13 55, 56 1.977354557 - -0.642361817
29 BD(1)C11-H12 57, 58 1.978586016 - -0.655737711
30 BD(1)C17-C18 59, 60 1.967449717 - -0.828910010
31 BD(1)C17-C22 61, 62 1.967179068 - -0.824303615
32 BD(2)C17-C22 63, 64 1.569111939 - -0.389479815
33 BD(1)C18-C19 65, 66 1.978419747 - -0.843533568
34 BD(2)C18-C19 67, 68 1.660789950 - -0.391322454
35 BD(1)C18-H27 69, 70 1.978322524 - -0.660165782
36 BD(1)C19-C20 71, 72 1.979635637 - -0.831632179
37 BD(1)C19-H26 73, 74 1.977564182 - -0.644024218
38 BD(1)C20-C21 75, 76 1.979895099 - -0.832263329
39 BD(2)C20-C21 77, 78 1.587100292 - -0.380813952
40 BD(1)C20-H25 79, 80 1.979306425 - -0.645564777
41 BD(1)C21-C22 81, 82 1.978612182 - -0.840774344
42 BD(1)C21-H24 83, 84 1.977357909 - -0.641649338
43 BD(1)C22-H23 85, 86 1.978579842 - -0.651593551
44 CR(1)C1 87 1.999242697 - -10.154390610
45 CR(1)C2 88 1.999373038 - -10.277539216
46 CR(1)C3 89 1.999173403 - -10.184680186
47 CR(1)C4 90 1.999121274 - -10.187356886
48 CR(1)C5 91 1.998979876 - -10.250509245
49 CR(1)C6 92 1.998827907 - -10.184396240
50 CR(1)C7 93 1.999063452 - -10.174669963
51 CR(1)C8 94 1.999147819 - -10.164448845
52 CR(1)C9 95 1.999166408 - -10.175249050
53 CR(1)C10 96 1.999140725 - -10.163460829
54 CR(1)C11 97 1.999071010 - -10.176920775
55 CR(1)C17 98 1.998841631 - -10.183187415
56 CR(1)C18 99 1.999065374 - -10.176489110
57 CR(1)C19 100 1.999148315 - -10.165419651
58 CR(1)C20 101 1.999164319 - -10.172759226
59 CR(1)C21 102 1.999140575 - -10.163307571
60 CR(1)C22 103 1.999068460 - -10.173532654
61 CR(1)O32 104 1.999736060 - -18.996431262
62 LP*(1)C5 105 0.669768773 - -0.263097758
63 LP(1)O32 106 1.973589761 - -0.818834936
64 LP(2)O32 107 1.814535950 - -0.426578239
65 RY*(1)C1 108 0.002556594 - 0.724280477
66 RY*(2)C1 109 0.000970244 - 0.871894348
67 RY*(3)C1 110 0.000414993 - 0.943421058
68 RY*(4)C1 111 0.000317091 - 0.809069176
69 RY*(5)C1 112 0.000143253 - 1.003675614
70 RY*(6)C1 113 0.000102377 - 1.032239214
71 RY*(7)C1 114 0.000080899 - 2.945471824
72 RY*(8)C1 115 0.000031118 - 0.984488195
73 RY*(9)C1 116 0.000002086 - 2.532965462
74 RY*(10)C1 117 0.000000132 - 22.461135114
75 RY*(11)C1 118 0.000004822 - 1.108542051
76 RY*(12)C1 119 0.000005676 - 0.725402606
77 RY*(13)C1 120 0.000005090 - 1.371629841
78 RY*(14)C1 121 0.000002201 - 3.051944620
79 RY*(15)C1 122 0.000002605 - 2.306105138
80 RY*(16)C1 123 0.000000448 - 3.228419844
81 RY*(17)C1 124 0.000007564 - 0.789783786
82 RY*(18)C1 125 0.000000477 - 3.258991687
83 RY*(19)C1 126 0.000006227 - 1.275840395
84 RY*(20)C1 127 0.000002913 - 2.533989291
85 RY*(21)C1 128 0.000009086 - 0.321423792
86 RY*(22)C1 129 0.000001212 - 3.353487313
87 RY*(1)C2 130 0.016002457 - 0.810921726
88 RY*(2)C2 131 0.003585016 - 1.462865221
89 RY*(3)C2 132 0.001857722 - 2.025140193
90 RY*(4)C2 133 0.001570237 - 1.461716933
91 RY*(5)C2 134 0.000844798 - 2.125095645
92 RY*(6)C2 135 0.000513472 - 1.653216837
93 RY*(7)C2 136 0.000304267 - 1.826134632
94 RY*(8)C2 137 0.000267033 - 1.495636723
95 RY*(9)C2 138 0.000121967 - 2.320419420
96 RY*(10)C2 139 0.000061700 - 3.646042429
97 RY*(11)C2 140 0.000029948 - 0.867155046
98 RY*(12)C2 141 0.000039558 - 1.573608559
99 RY*(13)C2 142 0.000012531 - 2.452278078
100 RY*(14)C2 143 0.000015791 - 2.211392099
101 RY*(15)C2 144 0.000003643 - 18.507506523
102 RY*(16)C2 145 0.000002221 - 2.745475088
103 RY*(17)C2 146 0.000005226 - 2.595335627
104 RY*(18)C2 147 0.000002567 - 3.049590511
105 RY*(19)C2 148 0.000004350 - 2.602330680
106 RY*(20)C2 149 0.000003692 - 2.461826552
107 RY*(21)C2 150 0.000003627 - 2.785370755
108 RY*(22)C2 151 0.000002176 - 3.012332853
109 RY*(1)C3 152 0.003033530 - 0.813584426
110 RY*(2)C3 153 0.001830169 - 0.828155338
111 RY*(3)C3 154 0.001408624 - 0.712640326
112 RY*(4)C3 155 0.000511647 - 1.017588631
113 RY*(5)C3 156 0.000399238 - 1.294042162
114 RY*(6)C3 157 0.000246913 - 1.583223287
115 RY*(7)C3 158 0.000194287 - 1.421814477
116 RY*(8)C3 159 0.000147432 - 2.549615194
117 RY*(9)C3 160 0.000099722 - 1.172598816
118 RY*(10)C3 161 0.000098442 - 1.990500854
119 RY*(11)C3 162 0.000070647 - 1.928183512
120 RY*(12)C3 163 0.000039658 - 0.786570099
121 RY*(13)C3 164 0.000043519 - 3.052339743
122 RY*(14)C3 165 0.000004499 - 3.193477020
123 RY*(15)C3 166 0.000007489 - 2.972400870
124 RY*(16)C3 167 0.000014039 - 1.156732368
125 RY*(17)C3 168 0.000009458 - 2.255971762
126 RY*(18)C3 169 0.000004988 - 2.860727836
127 RY*(19)C3 170 0.000009944 - 2.361469442
128 RY*(20)C3 171 0.000011519 - 0.912787129
129 RY*(21)C3 172 0.000000717 - 22.250851621
130 RY*(22)C3 173 0.000003913 - 2.578930443
131 RY*(1)C4 174 0.005728034 - 0.805458921
132 RY*(2)C4 175 0.002342696 - 0.760911333
133 RY*(3)C4 176 0.000995422 - 0.954088314
134 RY*(4)C4 177 0.000713272 - 1.445949882
135 RY*(5)C4 178 0.000421911 - 1.202244008
136 RY*(6)C4 179 0.000328881 - 1.629848134
137 RY*(7)C4 180 0.000232851 - 1.450459472
138 RY*(8)C4 181 0.000130139 - 1.747565533
139 RY*(9)C4 182 0.000109332 - 1.554602094
140 RY*(10)C4 183 0.000091367 - 2.050687456
141 RY*(11)C4 184 0.000065541 - 1.655044434
142 RY*(12)C4 185 0.000044304 - 3.724563369
143 RY*(13)C4 186 0.000039435 - 2.025300122
144 RY*(14)C4 187 0.000023026 - 2.426580966
145 RY*(15)C4 188 0.000024116 - 1.719093285
146 RY*(16)C4 189 0.000013438 - 2.270246713
147 RY*(17)C4 190 0.000000827 - 20.419165687
148 RY*(18)C4 191 0.000007528 - 3.013027135
149 RY*(19)C4 192 0.000004309 - 1.359789281
150 RY*(20)C4 193 0.000007604 - 2.836227994
151 RY*(21)C4 194 0.000004713 - 2.742501422
152 RY*(22)C4 195 0.000009703 - 3.251717252
153 RY*(1)C5 196 0.007453257 - 0.755832380
154 RY*(2)C5 197 0.006152482 - 0.796343706
155 RY*(3)C5 198 0.003452254 - 1.048585051
156 RY*(4)C5 199 0.002400243 - 0.846371313
157 RY*(5)C5 200 0.001943587 - 0.891792780
158 RY*(6)C5 201 0.001198952 - 1.180720045
159 RY*(7)C5 202 0.000804303 - 1.714764747
160 RY*(8)C5 203 0.000628527 - 1.343296582
161 RY*(9)C5 204 0.000579521 - 1.708456212
162 RY*(10)C5 205 0.000397396 - 2.145732013
163 RY*(11)C5 206 0.000272483 - 2.266209147
164 RY*(12)C5 207 0.000272304 - 1.667909806
165 RY*(13)C5 208 0.000193663 - 2.606663308
166 RY*(14)C5 209 0.000099544 - 2.813400886
167 RY*(15)C5 210 0.000074534 - 2.436182952
168 RY*(16)C5 211 0.000070503 - 2.723271574
169 RY*(17)C5 212 0.000043035 - 3.651119235
170 RY*(18)C5 213 0.000015164 - 2.889154730
171 RY*(19)C5 214 0.000015917 - 2.930594282
172 RY*(20)C5 215 0.000010998 - 3.102162821
173 RY*(21)C5 216 0.000004576 - 20.582694020
174 RY*(22)C5 217 0.000004023 - 3.046043547
175 RY*(1)C6 218 0.007451158 - 1.111403745
176 RY*(2)C6 219 0.006338635 - 1.020888208
177 RY*(3)C6 220 0.001402399 - 1.029152775
178 RY*(4)C6 221 0.001365821 - 1.023395948
179 RY*(5)C6 222 0.001013248 - 0.917404630
180 RY*(6)C6 223 0.000799209 - 1.201142763
181 RY*(7)C6 224 0.000513777 - 1.995352794
182 RY*(8)C6 225 0.000490183 - 2.411232305
183 RY*(9)C6 226 0.000384388 - 1.318577829
184 RY*(10)C6 227 0.000286653 - 2.191838200
185 RY*(11)C6 228 0.000217119 - 2.442275572
186 RY*(12)C6 229 0.000171230 - 2.505369657
187 RY*(13)C6 230 0.000099584 - 3.098149747
188 RY*(14)C6 231 0.000090477 - 1.737646331
189 RY*(15)C6 232 0.000052109 - 3.260127536
190 RY*(16)C6 233 0.000060637 - 3.159781658
191 RY*(17)C6 234 0.000030411 - 1.964510752
192 RY*(18)C6 235 0.000001181 - 1.087997754
193 RY*(19)C6 236 0.000006069 - 2.739893222
194 RY*(20)C6 237 0.000009344 - 3.178102043
195 RY*(21)C6 238 0.000003649 - 19.515747086
196 RY*(22)C6 239 0.000004968 - 3.391689875
197 RY*(1)C7 240 0.005677100 - 1.228040715
198 RY*(2)C7 241 0.002163390 - 1.038389165
199 RY*(3)C7 242 0.001195547 - 0.620460490
200 RY*(4)C7 243 0.000675284 - 1.792756871
201 RY*(5)C7 244 0.000496604 - 2.383864531
202 RY*(6)C7 245 0.000464429 - 1.864437693
203 RY*(7)C7 246 0.000261109 - 1.709179718
204 RY*(8)C7 247 0.000194212 - 2.303077372
205 RY*(9)C7 248 0.000091874 - 0.896403765
206 RY*(10)C7 249 0.000041643 - 1.852747552
207 RY*(11)C7 250 0.000046744 - 3.267038420
208 RY*(12)C7 251 0.000045342 - 2.437230073
209 RY*(13)C7 252 0.000009665 - 3.475757955
210 RY*(14)C7 253 0.000018515 - 1.813228154
211 RY*(15)C7 254 0.000009387 - 2.579294832
212 RY*(16)C7 255 0.000018129 - 1.345354608
213 RY*(17)C7 256 0.000001849 - 2.576407302
214 RY*(18)C7 257 0.000011206 - 2.819512105
215 RY*(19)C7 258 0.000006165 - 1.271280993
216 RY*(20)C7 259 0.000000614 - 3.187646062
217 RY*(21)C7 260 0.000002444 - 17.206175037
218 RY*(22)C7 261 0.000002061 - 3.364547817
219 RY*(1)C8 262 0.006179580 - 1.129469852
220 RY*(2)C8 263 0.002169779 - 1.184640472
221 RY*(3)C8 264 0.000742740 - 0.326504773
222 RY*(4)C8 265 0.000651183 - 2.044969698
223 RY*(5)C8 266 0.000394936 - 2.063785446
224 RY*(6)C8 267 0.000282980 - 2.681056353
225 RY*(7)C8 268 0.000128910 - 1.527930912
226 RY*(8)C8 269 0.000095011 - 3.398319454
227 RY*(9)C8 270 0.000047313 - 1.650373295
228 RY*(10)C8 271 0.000046624 - 2.948827934
229 RY*(11)C8 272 0.000026020 - 3.057859049
230 RY*(12)C8 273 0.000027468 - 1.799111742
231 RY*(13)C8 274 0.000006515 - 2.144848465
232 RY*(14)C8 275 0.000000871 - 18.001049345
233 RY*(15)C8 276 0.000001354 - 2.197426098
234 RY*(16)C8 277 0.000008888 - 1.459989971
235 RY*(17)C8 278 0.000004454 - 2.388852642
236 RY*(18)C8 279 0.000000549 - 2.364363610
237 RY*(19)C8 280 0.000004778 - 1.043541396
238 RY*(20)C8 281 0.000006234 - 0.437991147
239 RY*(21)C8 282 0.000001336 - 2.538593236
240 RY*(22)C8 283 0.000001537 - 3.252752400
241 RY*(1)C9 284 0.006094653 - 1.115123353
242 RY*(2)C9 285 0.002049775 - 1.202006658
243 RY*(3)C9 286 0.000633141 - 0.318606032
244 RY*(4)C9 287 0.000599294 - 1.918536348
245 RY*(5)C9 288 0.000564535 - 1.565958038
246 RY*(6)C9 289 0.000382986 - 2.656978106
247 RY*(7)C9 290 0.000136962 - 1.405746884
248 RY*(8)C9 291 0.000095246 - 4.283100993
249 RY*(9)C9 292 0.000043605 - 3.299947559
250 RY*(10)C9 293 0.000026618 - 2.187918212
251 RY*(11)C9 294 0.000011509 - 3.019607386
252 RY*(12)C9 295 0.000020343 - 2.026012735
253 RY*(13)C9 296 0.000013716 - 0.378713691
254 RY*(14)C9 297 0.000013694 - 1.945109208
255 RY*(15)C9 298 0.000001046 - 1.219170858
256 RY*(16)C9 299 0.000000397 - 2.899051654
257 RY*(17)C9 300 0.000005209 - 1.639828797
258 RY*(18)C9 301 0.000000675 - 1.569457763
259 RY*(19)C9 302 0.000000169 - 2.683886003
260 RY*(20)C9 303 0.000002529 - 0.618610037
261 RY*(21)C9 304 0.000000632 - 18.545247153
262 RY*(22)C9 305 0.000000844 - 3.181340963
263 RY*(1)C10 306 0.006231961 - 1.128551606
264 RY*(2)C10 307 0.002219250 - 1.179706351
265 RY*(3)C10 308 0.000818922 - 0.321625242
266 RY*(4)C10 309 0.000651925 - 2.033255537
267 RY*(5)C10 310 0.000400862 - 2.058576758
268 RY*(6)C10 311 0.000282047 - 2.700032491
269 RY*(7)C10 312 0.000126523 - 1.444794476
270 RY*(8)C10 313 0.000096688 - 4.049222881
271 RY*(9)C10 314 0.000051218 - 1.869215479
272 RY*(10)C10 315 0.000036056 - 0.926175086
273 RY*(11)C10 316 0.000043132 - 1.930330216
274 RY*(12)C10 317 0.000018112 - 2.830492860
275 RY*(13)C10 318 0.000008286 - 0.885607274
276 RY*(14)C10 319 0.000011308 - 2.771841875
277 RY*(15)C10 320 0.000010380 - 2.808518066
278 RY*(16)C10 321 0.000004763 - 1.455643355
279 RY*(17)C10 322 0.000004724 - 1.584679384
280 RY*(18)C10 323 0.000001541 - 2.678443460
281 RY*(19)C10 324 0.000001433 - 17.840824144
282 RY*(20)C10 325 0.000003137 - 2.668746950
283 RY*(21)C10 326 0.000008902 - 1.247533083
284 RY*(22)C10 327 0.000001620 - 3.219592003
285 RY*(1)C11 328 0.005379702 - 1.228575249
286 RY*(2)C11 329 0.002048354 - 1.063941899
287 RY*(3)C11 330 0.001215435 - 0.775244588
288 RY*(4)C11 331 0.000731948 - 1.626249356
289 RY*(5)C11 332 0.000536936 - 1.785914036
290 RY*(6)C11 333 0.000470168 - 1.903668167
291 RY*(7)C11 334 0.000273843 - 1.728687390
292 RY*(8)C11 335 0.000215893 - 2.192666238
293 RY*(9)C11 336 0.000092801 - 2.108914793
294 RY*(10)C11 337 0.000072316 - 1.346620597
295 RY*(11)C11 338 0.000048560 - 2.182339526
296 RY*(12)C11 339 0.000025145 - 0.779129973
297 RY*(13)C11 340 0.000023222 - 2.059536529
298 RY*(14)C11 341 0.000026103 - 2.406627663
299 RY*(15)C11 342 0.000032502 - 3.137131290
300 RY*(16)C11 343 0.000017396 - 2.823565705
301 RY*(17)C11 344 0.000004404 - 0.639574881
302 RY*(18)C11 345 0.000001355 - 3.034467361
303 RY*(19)C11 346 0.000002130 - 19.384093091
304 RY*(20)C11 347 0.000004447 - 2.688304249
305 RY*(21)C11 348 0.000003057 - 2.746268731
306 RY*(22)C11 349 0.000002278 - 3.561674324
307 RY*(1)H12 350 0.000992375 - 0.580448445
308 RY*(2)H12 351 0.000325844 - 2.296370236
309 RY*(3)H12 352 0.000201583 - 1.883201999
310 RY*(4)H12 353 0.000055055 - 2.675144729
311 RY*(5)H12 354 0.000048545 - 2.598097229
312 RY*(1)H13 355 0.000444885 - 1.252367144
313 RY*(2)H13 356 0.000202217 - 1.804247591
314 RY*(3)H13 357 0.000174546 - 1.848996875
315 RY*(4)H13 358 0.000047795 - 2.498016807
316 RY*(5)H13 359 0.000033077 - 2.488169466
317 RY*(1)H14 360 0.000312594 - 1.126354104
318 RY*(2)H14 361 0.000182823 - 1.803569998
319 RY*(3)H14 362 0.000171421 - 2.013645356
320 RY*(4)H14 363 0.000046623 - 2.432989870
321 RY*(5)H14 364 0.000038878 - 2.462537697
322 RY*(1)H15 365 0.000441379 - 1.267862644
323 RY*(2)H15 366 0.000211117 - 1.810287823
324 RY*(3)H15 367 0.000169392 - 1.830022791
325 RY*(4)H15 368 0.000046566 - 2.500827315
326 RY*(5)H15 369 0.000033551 - 2.486802588
327 RY*(1)H16 370 0.001323319 - 0.638607198
328 RY*(2)H16 371 0.000283879 - 2.283415795
329 RY*(3)H16 372 0.000219744 - 1.865717727
330 RY*(4)H16 373 0.000054647 - 2.729224748
331 RY*(5)H16 374 0.000045249 - 2.515301013
332 RY*(1)C17 375 0.007934320 - 1.101172806
333 RY*(2)C17 376 0.005433790 - 1.003835087
334 RY*(3)C17 377 0.001501078 - 1.049643452
335 RY*(4)C17 378 0.001317986 - 0.869010085
336 RY*(5)C17 379 0.001038346 - 0.759628941
337 RY*(6)C17 380 0.000817598 - 1.795106648
338 RY*(7)C17 381 0.000684482 - 1.337892682
339 RY*(8)C17 382 0.000590437 - 1.793829151
340 RY*(9)C17 383 0.000475581 - 2.146939374
341 RY*(10)C17 384 0.000304194 - 2.345975522
342 RY*(11)C17 385 0.000214892 - 2.635871151
343 RY*(12)C17 386 0.000191931 - 1.666461559
344 RY*(13)C17 387 0.000113980 - 1.675694477
345 RY*(14)C17 388 0.000085808 - 2.866761661
346 RY*(15)C17 389 0.000050545 - 3.440163195
347 RY*(16)C17 390 0.000056191 - 3.259254960
348 RY*(17)C17 391 0.000037520 - 2.423790738
349 RY*(18)C17 392 0.000010614 - 3.159170257
350 RY*(19)C17 393 0.000010982 - 3.059102276
351 RY*(20)C17 394 0.000004637 - 20.736643570
352 RY*(21)C17 395 0.000007980 - 2.723339532
353 RY*(22)C17 396 0.000002931 - 0.606395177
354 RY*(1)C18 397 0.005888690 - 1.192581047
355 RY*(2)C18 398 0.002035242 - 1.046081686
356 RY*(3)C18 399 0.001244538 - 0.617122609
357 RY*(4)C18 400 0.000700736 - 1.751150968
358 RY*(5)C18 401 0.000522203 - 1.720680586
359 RY*(6)C18 402 0.000466602 - 2.376226107
360 RY*(7)C18 403 0.000266081 - 1.710942151
361 RY*(8)C18 404 0.000202345 - 2.392796461
362 RY*(9)C18 405 0.000122390 - 1.832239002
363 RY*(10)C18 406 0.000069970 - 1.267412205
364 RY*(11)C18 407 0.000034840 - 2.029962433
365 RY*(12)C18 408 0.000032468 - 1.928394590
366 RY*(13)C18 409 0.000033957 - 2.970753091
367 RY*(14)C18 410 0.000009708 - 2.841720837
368 RY*(15)C18 411 0.000014579 - 2.373570111
369 RY*(16)C18 412 0.000006584 - 5.637690192
370 RY*(17)C18 413 0.000003581 - 14.787030246
371 RY*(18)C18 414 0.000005411 - 2.690258379
372 RY*(19)C18 415 0.000009351 - 2.347363988
373 RY*(20)C18 416 0.000005212 - 2.404508811
374 RY*(21)C18 417 0.000011201 - 2.218396966
375 RY*(22)C18 418 0.000007273 - 3.005071948
376 RY*(1)C19 419 0.006359905 - 1.125022097
377 RY*(2)C19 420 0.002190014 - 1.184609416
378 RY*(3)C19 421 0.000859106 - 0.355576891
379 RY*(4)C19 422 0.000654791 - 2.012659248
380 RY*(5)C19 423 0.000456496 - 2.019004924
381 RY*(6)C19 424 0.000303569 - 2.666975853
382 RY*(7)C19 425 0.000128706 - 2.172517051
383 RY*(8)C19 426 0.000128036 - 1.532297527
384 RY*(9)C19 427 0.000062226 - 2.073939080
385 RY*(10)C19 428 0.000037785 - 1.169858972
386 RY*(11)C19 429 0.000037795 - 3.591377558
387 RY*(12)C19 430 0.000012020 - 1.814194325
388 RY*(13)C19 431 0.000009878 - 0.594358876
389 RY*(14)C19 432 0.000016838 - 2.569882165
390 RY*(15)C19 433 0.000005966 - 2.566674645
391 RY*(16)C19 434 0.000005370 - 3.425461735
392 RY*(17)C19 435 0.000007335 - 0.939915717
393 RY*(18)C19 436 0.000003941 - 3.097073488
394 RY*(19)C19 437 0.000001155 - 17.803000445
395 RY*(20)C19 438 0.000007504 - 2.031584525
396 RY*(21)C19 439 0.000007665 - 2.365944447
397 RY*(22)C19 440 0.000002065 - 2.573015647
398 RY*(1)C20 441 0.006101761 - 1.124711958
399 RY*(2)C20 442 0.002068141 - 1.201603373
400 RY*(3)C20 443 0.000681722 - 0.354585046
401 RY*(4)C20 444 0.000614450 - 1.891039940
402 RY*(5)C20 445 0.000559578 - 1.531399380
403 RY*(6)C20 446 0.000379868 - 2.662787135
404 RY*(7)C20 447 0.000131527 - 1.356128685
405 RY*(8)C20 448 0.000093674 - 4.438115845
406 RY*(9)C20 449 0.000042440 - 3.330493771
407 RY*(10)C20 450 0.000026257 - 2.329500522
408 RY*(11)C20 451 0.000026732 - 1.937913533
409 RY*(12)C20 452 0.000018467 - 2.274891094
410 RY*(13)C20 453 0.000009114 - 0.511241602
411 RY*(14)C20 454 0.000001437 - 2.442050552
412 RY*(15)C20 455 0.000003746 - 3.003685736
413 RY*(16)C20 456 0.000005227 - 1.701255391
414 RY*(17)C20 457 0.000003685 - 0.841990684
415 RY*(18)C20 458 0.000001026 - 2.069389539
416 RY*(19)C20 459 0.000000992 - 1.332082266
417 RY*(20)C20 460 0.000000946 - 2.634457336
418 RY*(21)C20 461 0.000005838 - 3.186504892
419 RY*(22)C20 462 0.000002465 - 17.533873123
420 RY*(1)C21 463 0.006208230 - 1.138212426
421 RY*(2)C21 464 0.002173601 - 1.180358838
422 RY*(3)C21 465 0.000797498 - 0.331523010
423 RY*(4)C21 466 0.000671428 - 1.959800486
424 RY*(5)C21 467 0.000401090 - 2.033634928
425 RY*(6)C21 468 0.000300073 - 2.606998520
426 RY*(7)C21 469 0.000128626 - 1.661913809
427 RY*(8)C21 470 0.000095094 - 4.091028298
428 RY*(9)C21 471 0.000054214 - 1.790909503
429 RY*(10)C21 472 0.000038999 - 1.696846885
430 RY*(11)C21 473 0.000034970 - 1.349214339
431 RY*(12)C21 474 0.000040668 - 1.416056092
432 RY*(13)C21 475 0.000012490 - 2.390390333
433 RY*(14)C21 476 0.000007478 - 2.922536197
434 RY*(15)C21 477 0.000007477 - 3.306711867
435 RY*(16)C21 478 0.000004924 - 2.506955219
436 RY*(17)C21 479 0.000007088 - 1.476941824
437 RY*(18)C21 480 0.000005721 - 1.930422632
438 RY*(19)C21 481 0.000009601 - 0.786921500
439 RY*(20)C21 482 0.000001613 - 17.264289530
440 RY*(21)C21 483 0.000005156 - 2.773535631
441 RY*(22)C21 484 0.000003936 - 3.086266810
442 RY*(1)C22 485 0.005701475 - 1.236996047
443 RY*(2)C22 486 0.002113136 - 1.017155029
444 RY*(3)C22 487 0.001483587 - 0.692331316
445 RY*(4)C22 488 0.000760027 - 1.725713606
446 RY*(5)C22 489 0.000513039 - 2.248370842
447 RY*(6)C22 490 0.000457617 - 1.811515877
448 RY*(7)C22 491 0.000288951 - 1.492076544
449 RY*(8)C22 492 0.000212905 - 2.287260578
450 RY*(9)C22 493 0.000134907 - 1.077836441
451 RY*(10)C22 494 0.000064967 - 1.602650544
452 RY*(11)C22 495 0.000049391 - 3.307037761
453 RY*(12)C22 496 0.000038251 - 1.790458179
454 RY*(13)C22 497 0.000046054 - 1.381210010
455 RY*(14)C22 498 0.000030983 - 2.036618542
456 RY*(15)C22 499 0.000015965 - 2.138066562
457 RY*(16)C22 500 0.000013334 - 3.288240646
458 RY*(17)C22 501 0.000002219 - 17.886007966
459 RY*(18)C22 502 0.000005593 - 2.998313595
460 RY*(19)C22 503 0.000004527 - 2.334879439
461 RY*(20)C22 504 0.000008344 - 2.986460933
462 RY*(21)C22 505 0.000008750 - 2.776203421
463 RY*(22)C22 506 0.000004215 - 3.224700173
464 RY*(1)H23 507 0.000952216 - 0.597247733
465 RY*(2)H23 508 0.000314609 - 2.317872502
466 RY*(3)H23 509 0.000202719 - 1.868645396
467 RY*(4)H23 510 0.000054766 - 2.716505251
468 RY*(5)H23 511 0.000042823 - 2.583654119
469 RY*(1)H24 512 0.000451354 - 1.174145066
470 RY*(2)H24 513 0.000202257 - 1.805491993
471 RY*(3)H24 514 0.000172180 - 1.866419340
472 RY*(4)H24 515 0.000046042 - 2.474030137
473 RY*(5)H24 516 0.000040220 - 2.572191087
474 RY*(1)H25 517 0.000319477 - 1.109545468
475 RY*(2)H25 518 0.000190594 - 1.803245961
476 RY*(3)H25 519 0.000174392 - 2.013106486
477 RY*(4)H25 520 0.000039894 - 2.470939830
478 RY*(5)H25 521 0.000047321 - 2.439668036
479 RY*(1)H26 522 0.000409445 - 1.247369164
480 RY*(2)H26 523 0.000211902 - 1.807966947
481 RY*(3)H26 524 0.000191161 - 1.876509102
482 RY*(4)H26 525 0.000043736 - 2.486358291
483 RY*(5)H26 526 0.000039171 - 2.422055502
484 RY*(1)H27 527 0.000676725 - 1.584753280
485 RY*(2)H27 528 0.000217260 - 1.792998499
486 RY*(3)H27 529 0.000181322 - 1.600643856
487 RY*(4)H27 530 0.000060929 - 2.584396104
488 RY*(5)H27 531 0.000045169 - 2.483926170
489 RY*(1)H28 532 0.000858282 - 1.230858555
490 RY*(2)H28 533 0.000250383 - 1.663427098
491 RY*(3)H28 534 0.000143684 - 2.107395976
492 RY*(4)H28 535 0.000084291 - 1.876242209
493 RY*(5)H28 536 0.000040974 - 2.827831571
494 RY*(1)H29 537 0.000825296 - 1.305252878
495 RY*(2)H29 538 0.000235372 - 1.589416807
496 RY*(3)H29 539 0.000097232 - 2.198511991
497 RY*(4)H29 540 0.000093893 - 2.121694870
498 RY*(5)H29 541 0.000047250 - 2.574508009
499 RY*(1)H30 542 0.000862934 - 0.934180900
500 RY*(2)H30 543 0.000154832 - 2.033468502
501 RY*(3)H30 544 0.000120934 - 1.743175258
502 RY*(4)H30 545 0.000112936 - 1.966134754
503 RY*(5)H30 546 0.000043073 - 2.775264983
504 RY*(1)H31 547 0.000643859 - 0.746302877
505 RY*(2)H31 548 0.000174272 - 1.991086933
506 RY*(3)H31 549 0.000134093 - 2.003446066
507 RY*(4)H31 550 0.000079929 - 2.053963993
508 RY*(5)H31 551 0.000034545 - 2.662013551
509 RY*(1)O32 552 0.005355231 - 0.675437900
510 RY*(2)O32 553 0.000928400 - 0.689868965
511 RY*(3)O32 554 0.000862820 - 0.683913548
512 RY*(4)O32 555 0.000269036 - 1.716800569
513 RY*(5)O32 556 0.000153446 - 1.256814289
514 RY*(6)O32 557 0.000126684 - 1.470072218
515 RY*(7)O32 558 0.000082718 - 2.239668041
516 RY*(8)O32 559 0.000055982 - 1.921649940
517 RY*(9)O32 560 0.000048712 - 1.650926448
518 RY*(10)O32 561 0.000039410 - 2.187579813
519 RY*(11)O32 562 0.000023933 - 1.483654592
520 RY*(12)O32 563 0.000004660 - 4.808662332
521 RY*(13)O32 564 0.000007873 - 1.687401034
522 RY*(14)O32 565 0.000001277 - 6.633268556
523 RY*(15)O32 566 0.000004419 - 4.875824006
524 RY*(16)O32 567 0.000002868 - 6.171749789
525 RY*(17)O32 568 0.000009443 - 1.487955245
526 RY*(18)O32 569 0.000001825 - 6.690942631
527 RY*(19)O32 570 0.000000164 - 49.094741570
528 RY*(20)O32 571 0.000005251 - 6.531012314
529 RY*(21)O32 572 0.000008159 - 4.868747854
530 RY*(22)O32 573 0.000002306 - 6.054883575
531 RY*(1)H33 574 0.001081083 - 0.947229786
532 RY*(2)H33 575 0.000135698 - 2.029841195
533 RY*(3)H33 576 0.000125873 - 1.832435862
534 RY*(4)H33 577 0.000080199 - 2.012259023
535 RY*(5)H33 578 0.000024480 - 2.205984688
536 RY*(1)H34 579 0.000655261 - 0.778025518
537 RY*(2)H34 580 0.000122701 - 1.815891008
538 RY*(3)H34 581 0.000120326 - 1.833132778
539 RY*(4)H34 582 0.000072977 - 2.098548324
540 RY*(5)H34 583 0.000021904 - 2.399434414
541 RY*(1)H35 584 0.000625920 - 0.679949028
542 RY*(2)H35 585 0.000116001 - 1.854105341
543 RY*(3)H35 586 0.000114010 - 1.833716762
544 RY*(4)H35 587 0.000072930 - 2.143231168
545 RY*(5)H35 588 0.000025345 - 2.453874900
546 BD*(1)C1-C2 0.044310307 - 0.267552703
547 BD*(1)C1-H33 0.004094449 - 0.286318828
548 BD*(1)C1-H34 0.004832248 - 0.262153104
549 BD*(1)C1-H35 0.004925439 - 0.266137072
550 BD*(1)C2-C3 0.062457425 - 0.244029247
551 BD*(1)C2-O32 0.016546196 - 0.467660251
552 BD*(2)C2-O32 0.105929537 - -0.125320246
553 BD*(1)C3-C4 0.012488746 - 0.225828322
554 BD*(1)C3-H30 0.012772794 - 0.251887663
555 BD*(1)C3-H31 0.009639647 - 0.260554523
556 BD*(1)C4-C5 0.025397100 - 0.254772100
557 BD*(1)C4-H28 0.013138461 - 0.238516498
558 BD*(1)C4-H29 0.013423059 - 0.262202145
559 BD*(1)C5-C6 0.030130778 - 0.358865567
560 BD*(1)C5-C17 0.031235618 - 0.345259704
561 BD*(1)C6-C7 0.026554142 - 0.393522290
562 BD*(1)C6-C11 0.026873399 - 0.387784518
563 BD*(2)C6-C11 0.410709601 - -0.115470451
564 BD*(1)C7-C8 0.014140990 - 0.452660738
565 BD*(2)C7-C8 0.237887667 - -0.098734652
566 BD*(1)C7-H16 0.013421897 - 0.308086184
567 BD*(1)C8-C9 0.015715024 - 0.428237065
568 BD*(1)C8-H15 0.013569268 - 0.312252955
569 BD*(1)C9-C10 0.015604494 - 0.435050458
570 BD*(2)C9-C10 0.281550348 - -0.100491238
571 BD*(1)C9-H14 0.012592647 - 0.315010761
572 BD*(1)C10-C11 0.014374967 - 0.446961755
573 BD*(1)C10-H13 0.013730588 - 0.311804162
574 BD*(1)C11-H12 0.013121951 - 0.311940025
575 BD*(1)C17-C18 0.027094161 - 0.395577528
576 BD*(1)C17-C22 0.026582225 - 0.393644694
577 BD*(2)C17-C22 0.404250183 - -0.114436711
578 BD*(1)C18-C19 0.014390954 - 0.445500282
579 BD*(2)C18-C19 0.267444551 - -0.103933268
580 BD*(1)C18-H27 0.013987547 - 0.299543371
581 BD*(1)C19-C20 0.015619394 - 0.430710242
582 BD*(1)C19-H26 0.013425026 - 0.311028676
583 BD*(1)C20-C21 0.015614862 - 0.434845741
584 BD*(2)C20-C21 0.288786661 - -0.100063831
585 BD*(1)C20-H25 0.012681755 - 0.315642123
586 BD*(1)C21-C22 0.014383798 - 0.446660560
587 BD*(1)C21-H24 0.013653081 - 0.312526671
588 BD*(1)C22-H23 0.012897655 - 0.315160318

Quote

IT IS BETTER TO THINK YOU ARE HALF DRY THAN TO KNOW YOU ARE ALL WET. -- SNOOPY