WebMO Job Summary

385364: C19H22O3 diphenylhydroxyacetal, Natural Bond Orbitals - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)
Method B3LYP
Stoichiometry C19H22O3
Symmetry C1
Basis 6-311+G(2d,p)
RB3LYP Energy -963.21203776 Hartree
Dipole Moment 2.2020 Debye
Server class (386947)
CPU time 4835 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 0.3541224 0.01181225179
b 0.2049216 0.00683544881
c 0.1537489 0.00512851127

Partial Charges

Atom Symbol Charge
1 C 1.063616  
2 O -0.378815  
3 H 0.217158  
4 C 0.558371  
5 C -0.186876  
6 C -0.347654  
7 C -0.100367  
8 C -0.397837  
9 C -0.337422  
10 H 0.112472  
11 H 0.084318  
12 H 0.083410  
13 H 0.081742  
14 H 0.100648  
15 C 0.649362  
16 C 0.283283  
17 C -0.232386  
18 C -0.069459  
19 C -0.294417  
20 C -0.851406  
21 H 0.094390  
22 H 0.080957  
23 H 0.081011  
24 H 0.081758  
25 H 0.117447  
26 C -0.419824  
27 C -0.477301  
28 C -0.212443  
29 C -0.271009  
30 H 0.117417  
31 H 0.135828  
32 H 0.138967  
33 O -0.329518  
34 C 0.066001  
35 C 0.043995  
36 O -0.286374  
37 H 0.110899  
38 H 0.109186  
39 H 0.103598  
40 H 0.107339  
41 H 0.143243  
42 H 0.150292  
43 H 0.141684  
44 H 0.134715  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -19.13557
2 - 2 - -19.13011
3 - 2 - -19.12812
4 - 2 - -10.27599
5 - 2 - -10.24476
6 - 2 - -10.22717
7 - 2 - -10.22551
8 - 2 - -10.18471
9 - 2 - -10.18014
10 - 2 - -10.17719
11 - 2 - -10.17664
12 - 2 - -10.17582
13 - 2 - -10.17526
14 - 2 - -10.17283
15 - 2 - -10.17122
16 - 2 - -10.1702
17 - 2 - -10.17004
18 - 2 - -10.16922
19 - 2 - -10.16838
20 - 2 - -10.16601
21 - 2 - -10.16275
22 - 2 - -10.15942
23 - 2 - -1.09178
24 - 2 - -1.03348
25 - 2 - -0.99754
26 - 2 - -0.8668
27 - 2 - -0.85652
28 - 2 - -0.81628
29 - 2 - -0.79202
30 - 2 - -0.75339
31 - 2 - -0.75004
32 - 2 - -0.74537
33 - 2 - -0.74319
34 - 2 - -0.717
35 - 2 - -0.68009
36 - 2 - -0.64022
37 - 2 - -0.63378
38 - 2 - -0.61165
39 - 2 - -0.60458
40 - 2 - -0.60108
41 - 2 - -0.57632
42 - 2 - -0.56902
43 - 2 - -0.53293
44 - 2 - -0.52029
45 - 2 - -0.51714
46 - 2 - -0.49997
47 - 2 - -0.49537
48 - 2 - -0.47996
49 - 2 - -0.46635
50 - 2 - -0.46315
51 - 2 - -0.4497
52 - 2 - -0.44835
53 - 2 - -0.44359
54 - 2 - -0.44021
55 - 2 - -0.43211
56 - 2 - -0.42749
57 - 2 - -0.42443
58 - 2 - -0.41959
59 - 2 - -0.419
60 - 2 - -0.40369
61 - 2 - -0.3935
62 - 2 - -0.38254
63 - 2 - -0.37512
64 - 2 - -0.36765
65 - 2 - -0.36296
66 - 2 - -0.3619
67 - 2 - -0.35547
68 - 2 - -0.35102
69 - 2 - -0.34631
70 - 2 - -0.34488
71 - 2 - -0.34318
72 - 2 - -0.33739
73 - 2 - -0.31945
74 - 2 - -0.29535
75 - 2 - -0.27826
76 - 2 - -0.26266
77 - 2 - -0.26038
78 - 2 - -0.25705
79 - 2 - -0.25331
80 - 2 - -0.24208
81 - 0 - -0.02417
82 - 0 - -0.01906
83 - 0 - -0.01216
84 - 0 - -0.00541
85 - 0 - -0.00454
86 - 0 - 0.00619
87 - 0 - 0.00892
88 - 0 - 0.01239
89 - 0 - 0.01638
90 - 0 - 0.02216
91 - 0 - 0.02905
92 - 0 - 0.0305
93 - 0 - 0.03593
94 - 0 - 0.04023
95 - 0 - 0.04297
96 - 0 - 0.04563
97 - 0 - 0.05052
98 - 0 - 0.05217
99 - 0 - 0.05764
100 - 0 - 0.06083
101 - 0 - 0.06676
102 - 0 - 0.06896
103 - 0 - 0.07141
104 - 0 - 0.07651
105 - 0 - 0.08158
106 - 0 - 0.08429
107 - 0 - 0.0876
108 - 0 - 0.09087
109 - 0 - 0.09385
110 - 0 - 0.09843
111 - 0 - 0.10142
112 - 0 - 0.10741
113 - 0 - 0.11027
114 - 0 - 0.11383
115 - 0 - 0.11724
116 - 0 - 0.11924
117 - 0 - 0.12291
118 - 0 - 0.12696
119 - 0 - 0.12958
120 - 0 - 0.13164
121 - 0 - 0.13985
122 - 0 - 0.14227
123 - 0 - 0.14356
124 - 0 - 0.14608
125 - 0 - 0.15056
126 - 0 - 0.1524
127 - 0 - 0.15366
128 - 0 - 0.1551
129 - 0 - 0.15882
130 - 0 - 0.16151
131 - 0 - 0.16205
132 - 0 - 0.16382
133 - 0 - 0.16746
134 - 0 - 0.17467
135 - 0 - 0.17481
136 - 0 - 0.17914
137 - 0 - 0.18143
138 - 0 - 0.18172
139 - 0 - 0.18509
140 - 0 - 0.18846
141 - 0 - 0.19195
142 - 0 - 0.19307
143 - 0 - 0.19449
144 - 0 - 0.1986
145 - 0 - 0.20179
146 - 0 - 0.20245
147 - 0 - 0.20377
148 - 0 - 0.2077
149 - 0 - 0.2116
150 - 0 - 0.21192
151 - 0 - 0.2127
152 - 0 - 0.21764
153 - 0 - 0.21849
154 - 0 - 0.22125
155 - 0 - 0.22597
156 - 0 - 0.22754
157 - 0 - 0.23175
158 - 0 - 0.2347
159 - 0 - 0.23587
160 - 0 - 0.23838
161 - 0 - 0.2428
162 - 0 - 0.24608
163 - 0 - 0.24756
164 - 0 - 0.24928
165 - 0 - 0.25169
166 - 0 - 0.25694
167 - 0 - 0.26001
168 - 0 - 0.26075
169 - 0 - 0.26496
170 - 0 - 0.26775
171 - 0 - 0.27199
172 - 0 - 0.27377
173 - 0 - 0.27647
174 - 0 - 0.27943
175 - 0 - 0.28386
176 - 0 - 0.2857
177 - 0 - 0.28891
178 - 0 - 0.29545
179 - 0 - 0.29726
180 - 0 - 0.30349
181 - 0 - 0.30445
182 - 0 - 0.30991
183 - 0 - 0.31261
184 - 0 - 0.31714
185 - 0 - 0.32061
186 - 0 - 0.32441
187 - 0 - 0.32491
188 - 0 - 0.33005
189 - 0 - 0.33153
190 - 0 - 0.33173
191 - 0 - 0.3398
192 - 0 - 0.34521
193 - 0 - 0.34771
194 - 0 - 0.35128
195 - 0 - 0.35401
196 - 0 - 0.35766
197 - 0 - 0.36274
198 - 0 - 0.36909
199 - 0 - 0.37178
200 - 0 - 0.37434
201 - 0 - 0.37971
202 - 0 - 0.38355
203 - 0 - 0.38986
204 - 0 - 0.40095
205 - 0 - 0.40708
206 - 0 - 0.41398
207 - 0 - 0.42508
208 - 0 - 0.42588
209 - 0 - 0.43087
210 - 0 - 0.44857
211 - 0 - 0.45728
212 - 0 - 0.46112
213 - 0 - 0.46736
214 - 0 - 0.47263
215 - 0 - 0.47612
216 - 0 - 0.48386
217 - 0 - 0.49066
218 - 0 - 0.49809
219 - 0 - 0.50094
220 - 0 - 0.50577
221 - 0 - 0.50819
222 - 0 - 0.51642
223 - 0 - 0.51731
224 - 0 - 0.52204
225 - 0 - 0.52402
226 - 0 - 0.52453
227 - 0 - 0.52812
228 - 0 - 0.53907
229 - 0 - 0.54131
230 - 0 - 0.54709
231 - 0 - 0.55317
232 - 0 - 0.55678
233 - 0 - 0.55739
234 - 0 - 0.56436
235 - 0 - 0.56839
236 - 0 - 0.57546
237 - 0 - 0.57716
238 - 0 - 0.58286
239 - 0 - 0.58823
240 - 0 - 0.59186
241 - 0 - 0.59455
242 - 0 - 0.60126
243 - 0 - 0.60623
244 - 0 - 0.60999
245 - 0 - 0.6143
246 - 0 - 0.61877
247 - 0 - 0.62509
248 - 0 - 0.62617
249 - 0 - 0.63418
250 - 0 - 0.64035
251 - 0 - 0.64627
252 - 0 - 0.64776
253 - 0 - 0.64841
254 - 0 - 0.65263
255 - 0 - 0.6548
256 - 0 - 0.65831
257 - 0 - 0.66143
258 - 0 - 0.6637
259 - 0 - 0.66869
260 - 0 - 0.67141
261 - 0 - 0.67784
262 - 0 - 0.68275
263 - 0 - 0.6849
264 - 0 - 0.68623
265 - 0 - 0.69259
266 - 0 - 0.69816
267 - 0 - 0.69999
268 - 0 - 0.70592
269 - 0 - 0.7115
270 - 0 - 0.71475
271 - 0 - 0.72264
272 - 0 - 0.72587
273 - 0 - 0.73181
274 - 0 - 0.73367
275 - 0 - 0.73795
276 - 0 - 0.74085
277 - 0 - 0.75046
278 - 0 - 0.7562
279 - 0 - 0.75734
280 - 0 - 0.76225
281 - 0 - 0.76671
282 - 0 - 0.77344
283 - 0 - 0.77908
284 - 0 - 0.78147
285 - 0 - 0.78167
286 - 0 - 0.78496
287 - 0 - 0.7979
288 - 0 - 0.8009
289 - 0 - 0.80416
290 - 0 - 0.80726
291 - 0 - 0.81351
292 - 0 - 0.81511
293 - 0 - 0.81619
294 - 0 - 0.82085
295 - 0 - 0.82549
296 - 0 - 0.82767
297 - 0 - 0.83094
298 - 0 - 0.83489
299 - 0 - 0.84502
300 - 0 - 0.84931
301 - 0 - 0.85214
302 - 0 - 0.85766
303 - 0 - 0.86625
304 - 0 - 0.87249
305 - 0 - 0.87704
306 - 0 - 0.87866
307 - 0 - 0.89402
308 - 0 - 0.90488
309 - 0 - 0.90934
310 - 0 - 0.91482
311 - 0 - 0.92279
312 - 0 - 0.93522
313 - 0 - 0.93568
314 - 0 - 0.95151
315 - 0 - 0.96423
316 - 0 - 0.97385
317 - 0 - 0.97891
318 - 0 - 0.98691
319 - 0 - 0.99413
320 - 0 - 1.00795
321 - 0 - 1.01167
322 - 0 - 1.0207
323 - 0 - 1.02397
324 - 0 - 1.03051
325 - 0 - 1.03854
326 - 0 - 1.04125
327 - 0 - 1.05161
328 - 0 - 1.05953
329 - 0 - 1.07072
330 - 0 - 1.07522
331 - 0 - 1.08463
332 - 0 - 1.09
333 - 0 - 1.09624
334 - 0 - 1.11221
335 - 0 - 1.1182
336 - 0 - 1.12864
337 - 0 - 1.13532
338 - 0 - 1.14089
339 - 0 - 1.15427
340 - 0 - 1.16196
341 - 0 - 1.16859
342 - 0 - 1.17829
343 - 0 - 1.186
344 - 0 - 1.19114
345 - 0 - 1.20326
346 - 0 - 1.20764
347 - 0 - 1.20875
348 - 0 - 1.21738
349 - 0 - 1.22447
350 - 0 - 1.23443
351 - 0 - 1.23918
352 - 0 - 1.24419
353 - 0 - 1.25011
354 - 0 - 1.25068
355 - 0 - 1.25905
356 - 0 - 1.2632
357 - 0 - 1.26659
358 - 0 - 1.27661
359 - 0 - 1.27735
360 - 0 - 1.28083
361 - 0 - 1.28755
362 - 0 - 1.29592
363 - 0 - 1.30252
364 - 0 - 1.30956
365 - 0 - 1.31166
366 - 0 - 1.31622
367 - 0 - 1.33294
368 - 0 - 1.3427
369 - 0 - 1.34782
370 - 0 - 1.34845
371 - 0 - 1.35453
372 - 0 - 1.36249
373 - 0 - 1.36573
374 - 0 - 1.37101
375 - 0 - 1.37549
376 - 0 - 1.38282
377 - 0 - 1.38544
378 - 0 - 1.38649
379 - 0 - 1.39509
380 - 0 - 1.40246
381 - 0 - 1.4065
382 - 0 - 1.41519
383 - 0 - 1.43417
384 - 0 - 1.4406
385 - 0 - 1.44777
386 - 0 - 1.4581
387 - 0 - 1.47745
388 - 0 - 1.48096
389 - 0 - 1.48304
390 - 0 - 1.49551
391 - 0 - 1.49969
392 - 0 - 1.50579
393 - 0 - 1.5101
394 - 0 - 1.51351
395 - 0 - 1.51789
396 - 0 - 1.53184
397 - 0 - 1.54453
398 - 0 - 1.55365
399 - 0 - 1.57011
400 - 0 - 1.57549
401 - 0 - 1.57798
402 - 0 - 1.58076
403 - 0 - 1.58241
404 - 0 - 1.593
405 - 0 - 1.60341
406 - 0 - 1.61456
407 - 0 - 1.62426
408 - 0 - 1.63101
409 - 0 - 1.63389
410 - 0 - 1.64647
411 - 0 - 1.66194
412 - 0 - 1.665
413 - 0 - 1.67228
414 - 0 - 1.68142
415 - 0 - 1.69271
416 - 0 - 1.70929
417 - 0 - 1.72493
418 - 0 - 1.73988
419 - 0 - 1.76471
420 - 0 - 1.77927
421 - 0 - 1.78751
422 - 0 - 1.7942
423 - 0 - 1.80343
424 - 0 - 1.80718
425 - 0 - 1.81471
426 - 0 - 1.82449
427 - 0 - 1.82589
428 - 0 - 1.83597
429 - 0 - 1.8414
430 - 0 - 1.85441
431 - 0 - 1.86499
432 - 0 - 1.87619
433 - 0 - 1.8848
434 - 0 - 1.89128
435 - 0 - 1.91377
436 - 0 - 1.93356
437 - 0 - 1.94514
438 - 0 - 1.95491
439 - 0 - 1.97616
440 - 0 - 1.98472
441 - 0 - 1.9977
442 - 0 - 2.01177
443 - 0 - 2.01308
444 - 0 - 2.02187
445 - 0 - 2.03531
446 - 0 - 2.04273
447 - 0 - 2.06343
448 - 0 - 2.10005
449 - 0 - 2.13404
450 - 0 - 2.14488
451 - 0 - 2.16793
452 - 0 - 2.17964
453 - 0 - 2.1889
454 - 0 - 2.19435
455 - 0 - 2.21393
456 - 0 - 2.22528
457 - 0 - 2.23223
458 - 0 - 2.23583
459 - 0 - 2.24541
460 - 0 - 2.25045
461 - 0 - 2.26305
462 - 0 - 2.27326
463 - 0 - 2.27471
464 - 0 - 2.28702
465 - 0 - 2.29323
466 - 0 - 2.30765
467 - 0 - 2.32406
468 - 0 - 2.33893
469 - 0 - 2.34509
470 - 0 - 2.34822
471 - 0 - 2.36204
472 - 0 - 2.37315
473 - 0 - 2.37725
474 - 0 - 2.38385
475 - 0 - 2.39319
476 - 0 - 2.41402
477 - 0 - 2.41821
478 - 0 - 2.42897
479 - 0 - 2.44288
480 - 0 - 2.46215
481 - 0 - 2.46915
482 - 0 - 2.47981
483 - 0 - 2.50063
484 - 0 - 2.50849
485 - 0 - 2.52831
486 - 0 - 2.53273
487 - 0 - 2.54244
488 - 0 - 2.56941
489 - 0 - 2.58268
490 - 0 - 2.61713
491 - 0 - 2.62749
492 - 0 - 2.66428
493 - 0 - 2.67209
494 - 0 - 2.67529
495 - 0 - 2.67748
496 - 0 - 2.68429
497 - 0 - 2.68579
498 - 0 - 2.69182
499 - 0 - 2.71825
500 - 0 - 2.73998
501 - 0 - 2.7534
502 - 0 - 2.75558
503 - 0 - 2.76304
504 - 0 - 2.77195
505 - 0 - 2.77408
506 - 0 - 2.78221
507 - 0 - 2.78602
508 - 0 - 2.7896
509 - 0 - 2.80739
510 - 0 - 2.81071
511 - 0 - 2.82344
512 - 0 - 2.84279
513 - 0 - 2.8509
514 - 0 - 2.85565
515 - 0 - 2.85593
516 - 0 - 2.86672
517 - 0 - 2.86774
518 - 0 - 2.88478
519 - 0 - 2.89883
520 - 0 - 2.91745
521 - 0 - 2.92524
522 - 0 - 2.93761
523 - 0 - 2.94486
524 - 0 - 2.951
525 - 0 - 2.9573
526 - 0 - 2.97424
527 - 0 - 2.98519
528 - 0 - 2.98989
529 - 0 - 2.99454
530 - 0 - 3.01093
531 - 0 - 3.03632
532 - 0 - 3.04958
533 - 0 - 3.07783
534 - 0 - 3.08722
535 - 0 - 3.09305
536 - 0 - 3.1147
537 - 0 - 3.12501
538 - 0 - 3.1308
539 - 0 - 3.1383
540 - 0 - 3.14167
541 - 0 - 3.15442
542 - 0 - 3.16205
543 - 0 - 3.18423
544 - 0 - 3.1957
545 - 0 - 3.212
546 - 0 - 3.22213
547 - 0 - 3.23177
548 - 0 - 3.24296
549 - 0 - 3.2456
550 - 0 - 3.26044
551 - 0 - 3.27266
552 - 0 - 3.28809
553 - 0 - 3.29758
554 - 0 - 3.30978
555 - 0 - 3.31278
556 - 0 - 3.3183
557 - 0 - 3.3204
558 - 0 - 3.3344
559 - 0 - 3.33689
560 - 0 - 3.34122
561 - 0 - 3.34933
562 - 0 - 3.35623
563 - 0 - 3.3622
564 - 0 - 3.36793
565 - 0 - 3.37245
566 - 0 - 3.3763
567 - 0 - 3.38655
568 - 0 - 3.39818
569 - 0 - 3.40429
570 - 0 - 3.41361
571 - 0 - 3.42119
572 - 0 - 3.42743
573 - 0 - 3.43628
574 - 0 - 3.45654
575 - 0 - 3.46519
576 - 0 - 3.47799
577 - 0 - 3.48428
578 - 0 - 3.48656
579 - 0 - 3.50255
580 - 0 - 3.51286
581 - 0 - 3.51553
582 - 0 - 3.52563
583 - 0 - 3.52922
584 - 0 - 3.53601
585 - 0 - 3.53962
586 - 0 - 3.54822
587 - 0 - 3.56491
588 - 0 - 3.56531
589 - 0 - 3.57822
590 - 0 - 3.58703
591 - 0 - 3.59007
592 - 0 - 3.59483
593 - 0 - 3.60132
594 - 0 - 3.60952
595 - 0 - 3.61456
596 - 0 - 3.6234
597 - 0 - 3.62585
598 - 0 - 3.63016
599 - 0 - 3.63698
600 - 0 - 3.64688
601 - 0 - 3.65805
602 - 0 - 3.66522
603 - 0 - 3.67167
604 - 0 - 3.68136
605 - 0 - 3.69042
606 - 0 - 3.6988
607 - 0 - 3.70463
608 - 0 - 3.71461
609 - 0 - 3.72309
610 - 0 - 3.73299
611 - 0 - 3.75235
612 - 0 - 3.75296
613 - 0 - 3.76575
614 - 0 - 3.76881
615 - 0 - 3.77724
616 - 0 - 3.78237
617 - 0 - 3.78818
618 - 0 - 3.7957
619 - 0 - 3.79969
620 - 0 - 3.81551
621 - 0 - 3.82916
622 - 0 - 3.83829
623 - 0 - 3.84467
624 - 0 - 3.85505
625 - 0 - 3.85951
626 - 0 - 3.87515
627 - 0 - 3.89201
628 - 0 - 3.90628
629 - 0 - 3.91073
630 - 0 - 3.92293
631 - 0 - 3.9341
632 - 0 - 3.93994
633 - 0 - 3.9433
634 - 0 - 3.95333
635 - 0 - 3.95912
636 - 0 - 3.97021
637 - 0 - 3.97204
638 - 0 - 3.97971
639 - 0 - 3.99945
640 - 0 - 4.00769
641 - 0 - 4.01319
642 - 0 - 4.02516
643 - 0 - 4.05067
644 - 0 - 4.05098
645 - 0 - 4.08505
646 - 0 - 4.10373
647 - 0 - 4.12088
648 - 0 - 4.14795
649 - 0 - 4.16721
650 - 0 - 4.18305
651 - 0 - 4.19589
652 - 0 - 4.22768
653 - 0 - 4.24068
654 - 0 - 4.25122
655 - 0 - 4.27376
656 - 0 - 4.28981
657 - 0 - 4.30187
658 - 0 - 4.33283
659 - 0 - 4.35012
660 - 0 - 4.38519
661 - 0 - 4.44971
662 - 0 - 4.49341
663 - 0 - 4.50355
664 - 0 - 4.54805
665 - 0 - 4.55433
666 - 0 - 4.57054
667 - 0 - 4.61718
668 - 0 - 4.63882
669 - 0 - 4.67494
670 - 0 - 4.68972
671 - 0 - 4.84831
672 - 0 - 4.85273
673 - 0 - 4.88612
674 - 0 - 4.94519
675 - 0 - 5.19783
676 - 0 - 5.24158
677 - 0 - 5.25602
678 - 0 - 5.30769
679 - 0 - 5.31396
680 - 0 - 5.45294
681 - 0 - 5.53375
682 - 0 - 5.55559
683 - 0 - 5.58078
684 - 0 - 5.82476
685 - 0 - 5.87794
686 - 0 - 6.93864
687 - 0 - 6.99545
688 - 0 - 7.09084
689 - 0 - 7.09885
690 - 0 - 7.12166
691 - 0 - 7.12769
692 - 0 - 7.14086
693 - 0 - 7.16471
694 - 0 - 7.20159
695 - 0 - 7.23925
696 - 0 - 7.24996
697 - 0 - 7.37268
698 - 0 - 7.42483
699 - 0 - 7.52402
700 - 0 - 7.56477
701 - 0 - 23.71198
702 - 0 - 23.73976
703 - 0 - 23.84138
704 - 0 - 23.90621
705 - 0 - 23.92318
706 - 0 - 23.99915
707 - 0 - 24.01386
708 - 0 - 24.01749
709 - 0 - 24.03445
710 - 0 - 24.06063
711 - 0 - 24.07325
712 - 0 - 24.09325
713 - 0 - 24.11749
714 - 0 - 24.1261
715 - 0 - 24.13835
716 - 0 - 24.14516
717 - 0 - 24.15791
718 - 0 - 24.20602
719 - 0 - 24.23989
720 - 0 - 50.04404
721 - 0 - 50.10441
722 - 0 - 50.1134
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C 0.25861  
2 O -0.75519  
3 H 0.47098  
4 C -0.05398  
5 C -0.21004  
6 C -0.19726  
7 C -0.20373  
8 C -0.19618  
9 C -0.18680  
10 H 0.22045  
11 H 0.20541  
12 H 0.20505  
13 H 0.20399  
14 H 0.20754  
15 C -0.04228  
16 C -0.20250  
17 C -0.19459  
18 C -0.20914  
19 C -0.19548  
20 C -0.20245  
21 H 0.20662  
22 H 0.20421  
23 H 0.20384  
24 H 0.20359  
25 H 0.22770  
26 C -0.39853  
27 C -0.41617  
28 C 0.61145  
29 C -0.59988  
30 H 0.20334  
31 H 0.20763  
32 H 0.21097  
33 O -0.63136  
34 C -0.04333  
35 C -0.05004  
36 O -0.61872  
37 H 0.18953  
38 H 0.16293  
39 H 0.16218  
40 H 0.18197  
41 H 0.21865  
42 H 0.22190  
43 H 0.20672  
44 H 0.21240  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.998892872 - -10.110508057
2 C1 Val(2S) 0.873800706 - -0.185415157
3 C1 Ryd(4S) 0.002455664 - 3.485746349
4 C1 Ryd(3S) 0.001513191 - 1.408763997
5 C1 Ryd(5S) 0.000065482 - 18.453496558
6 C1 Val(2p) 1.052230473 - -0.095893591
7 C1 Ryd(3p) 0.003886024 - 0.934847839
8 C1 Ryd(4p) 0.001372020 - 1.711093452
9 C1 Ryd(5p) 0.000175206 - 1.920959119
10 C1 Val(2p) 1.053988435 - -0.092347561
11 C1 Ryd(3p) 0.004260048 - 0.894296040
12 C1 Ryd(5p) 0.001080473 - 1.719808217
13 C1 Ryd(4p) 0.000203406 - 1.335237071
14 C1 Val(2p) 0.730553221 - -0.078154192
15 C1 Ryd(3p) 0.009225034 - 0.906918487
16 C1 Ryd(4p) 0.000703383 - 1.400470411
17 C1 Ryd(5p) 0.000210261 - 2.302588461
18 C1 Ryd(3d) 0.000997403 - 2.074516524
19 C1 Ryd(4d) 0.000246110 - 3.448254616
20 C1 Ryd(3d) 0.001246404 - 2.009675413
21 C1 Ryd(4d) 0.000214056 - 3.091127225
22 C1 Ryd(3d) 0.000855503 - 2.127469042
23 C1 Ryd(4d) 0.000374611 - 3.302373040
24 C1 Ryd(3d) 0.000757572 - 2.060098246
25 C1 Ryd(4d) 0.000288686 - 3.446429604
26 C1 Ryd(3d) 0.001440988 - 2.379731332
27 C1 Ryd(4d) 0.000351180 - 3.474088402
28 O2 Cor(1S) 1.999778247 - -18.910588001
29 O2 Val(2S) 1.676031027 - -0.905899256
30 O2 Ryd(4S) 0.000338887 - 2.750363576
31 O2 Ryd(3S) 0.000093400 - 1.939507452
32 O2 Ryd(5S) 0.000000409 - 49.112822071
33 O2 Val(2p) 1.939853624 - -0.302710076
34 O2 Ryd(3p) 0.003133603 - 0.760499163
35 O2 Ryd(4p) 0.000084485 - 1.326935017
36 O2 Ryd(5p) 0.000004472 - 5.110488419
37 O2 Val(2p) 1.650247505 - -0.293669230
38 O2 Ryd(3p) 0.001396464 - 1.107406867
39 O2 Ryd(4p) 0.000127060 - 1.346579448
40 O2 Ryd(5p) 0.000044630 - 5.316478071
41 O2 Val(2p) 1.469269044 - -0.294953232
42 O2 Ryd(3p) 0.002154873 - 0.797288815
43 O2 Ryd(4p) 0.000233092 - 1.313482540
44 O2 Ryd(5p) 0.000057380 - 4.878882993
45 O2 Ryd(3d) 0.002534628 - 1.635754065
46 O2 Ryd(4d) 0.000009517 - 6.825150175
47 O2 Ryd(3d) 0.001030916 - 1.929343887
48 O2 Ryd(4d) 0.000031725 - 7.015119490
49 O2 Ryd(3d) 0.002349364 - 1.971166883
50 O2 Ryd(4d) 0.000049723 - 7.015814194
51 O2 Ryd(3d) 0.003665152 - 1.869099068
52 O2 Ryd(4d) 0.000003389 - 6.923396459
53 O2 Ryd(3d) 0.002653887 - 2.038500518
54 O2 Ryd(4d) 0.000018208 - 7.085647919
55 H3 Val(1S) 0.526692856 - 0.124157127
56 H3 Ryd(3S) 0.000617683 - 2.163978755
57 H3 Ryd(2S) 0.000184840 - 0.932307183
58 H3 Ryd(2p) 0.000831694 - 2.082543551
59 H3 Ryd(2p) 0.000319727 - 2.825528138
60 H3 Ryd(2p) 0.000372777 - 2.477050347
61 C4 Cor(1S) 1.998936987 - -10.034734507
62 C4 Val(2S) 0.884165208 - -0.137273218
63 C4 Ryd(4S) 0.001872136 - 1.867231805
64 C4 Ryd(3S) 0.001490423 - 1.568355770
65 C4 Ryd(5S) 0.000023839 - 21.182592945
66 C4 Val(2p) 1.060177774 - -0.061446958
67 C4 Ryd(4p) 0.005783110 - 1.054114829
68 C4 Ryd(3p) 0.001180412 - 0.839302606
69 C4 Ryd(5p) 0.000145442 - 3.617024850
70 C4 Val(2p) 1.038769450 - -0.071039635
71 C4 Ryd(4p) 0.005841946 - 1.014860808
72 C4 Ryd(3p) 0.000934666 - 0.686947084
73 C4 Ryd(5p) 0.000080050 - 3.420073731
74 C4 Val(2p) 1.044568315 - -0.086773199
75 C4 Ryd(4p) 0.003405099 - 0.811506961
76 C4 Ryd(3p) 0.000978646 - 0.633907762
77 C4 Ryd(5p) 0.000083153 - 3.367974469
78 C4 Ryd(3d) 0.000653863 - 1.791466428
79 C4 Ryd(4d) 0.000601869 - 3.579848329
80 C4 Ryd(3d) 0.000711746 - 1.896843234
81 C4 Ryd(4d) 0.000448334 - 3.525012612
82 C4 Ryd(3d) 0.001034937 - 2.000805715
83 C4 Ryd(4d) 0.000267696 - 3.624624477
84 C4 Ryd(3d) 0.000604110 - 1.908334754
85 C4 Ryd(4d) 0.000461791 - 3.731499866
86 C4 Ryd(3d) 0.000421350 - 1.438319069
87 C4 Ryd(4d) 0.000334421 - 3.513141646
88 C5 Cor(1S) 1.999024690 - -10.026022362
89 C5 Val(2S) 0.936210317 - -0.157288423
90 C5 Ryd(3S) 0.001107671 - 1.392586995
91 C5 Ryd(4S) 0.000041478 - 1.700983082
92 C5 Ryd(5S) 0.000010266 - 20.545622195
93 C5 Val(2p) 1.148089371 - -0.062965297
94 C5 Ryd(4p) 0.005033418 - 1.176269952
95 C5 Ryd(3p) 0.000134510 - 0.583542473
96 C5 Ryd(5p) 0.000071254 - 3.449364856
97 C5 Val(2p) 1.051183372 - -0.072480260
98 C5 Ryd(4p) 0.002453271 - 0.902780240
99 C5 Ryd(3p) 0.000256157 - 0.593052651
100 C5 Ryd(5p) 0.000119075 - 3.232754907
101 C5 Val(2p) 1.058209670 - -0.085210257
102 C5 Ryd(4p) 0.002791170 - 0.796130637
103 C5 Ryd(3p) 0.000354111 - 0.488066174
104 C5 Ryd(5p) 0.000069267 - 3.103895885
105 C5 Ryd(3d) 0.000694542 - 1.962934033
106 C5 Ryd(4d) 0.000224073 - 3.441542929
107 C5 Ryd(3d) 0.000562351 - 1.656502769
108 C5 Ryd(4d) 0.000325832 - 3.346436180
109 C5 Ryd(3d) 0.001075904 - 2.011543718
110 C5 Ryd(4d) 0.000237426 - 3.471683311
111 C5 Ryd(3d) 0.000580589 - 1.781320602
112 C5 Ryd(4d) 0.000533578 - 3.450290070
113 C5 Ryd(3d) 0.000536292 - 1.577856844
114 C5 Ryd(4d) 0.000114324 - 3.233732514
115 C6 Cor(1S) 1.999148498 - -10.029544052
116 C6 Val(2S) 0.946945639 - -0.164775681
117 C6 Ryd(4S) 0.001046903 - 1.504243021
118 C6 Ryd(3S) 0.000105081 - 1.089465727
119 C6 Ryd(5S) 0.000010704 - 20.932206243
120 C6 Val(2p) 1.061519341 - -0.056018740
121 C6 Ryd(4p) 0.004154483 - 0.812506811
122 C6 Ryd(3p) 0.000293204 - 0.654682753
123 C6 Ryd(5p) 0.000164401 - 3.275661159
124 C6 Val(2p) 1.096298918 - -0.071135902
125 C6 Ryd(4p) 0.004708418 - 0.892645131
126 C6 Ryd(3p) 0.000286291 - 0.472187519
127 C6 Ryd(5p) 0.000070720 - 3.134208403
128 C6 Val(2p) 1.073357412 - -0.085809980
129 C6 Ryd(4p) 0.003927466 - 0.794797009
130 C6 Ryd(3p) 0.000315220 - 0.420807121
131 C6 Ryd(5p) 0.000034082 - 3.029250506
132 C6 Ryd(3d) 0.000753510 - 2.058980496
133 C6 Ryd(4d) 0.000354285 - 3.382687986
134 C6 Ryd(3d) 0.000644569 - 1.785544241
135 C6 Ryd(4d) 0.000227976 - 3.284641778
136 C6 Ryd(3d) 0.000882273 - 1.666026924
137 C6 Ryd(4d) 0.000378717 - 3.312633418
138 C6 Ryd(3d) 0.000577655 - 1.997099654
139 C6 Ryd(4d) 0.000395416 - 3.359198680
140 C6 Ryd(3d) 0.000511939 - 1.648727431
141 C6 Ryd(4d) 0.000150470 - 3.085829897
142 C7 Cor(1S) 1.999143031 - -10.028345716
143 C7 Val(2S) 0.950209496 - -0.164516301
144 C7 Ryd(3S) 0.001036929 - 1.256393470
145 C7 Ryd(4S) 0.000095399 - 2.115121249
146 C7 Ryd(5S) 0.000006917 - 20.332417785
147 C7 Val(2p) 1.109090022 - -0.058871934
148 C7 Ryd(4p) 0.005225482 - 0.923613507
149 C7 Ryd(3p) 0.000364006 - 0.451748761
150 C7 Ryd(5p) 0.000107951 - 3.354959084
151 C7 Val(2p) 1.092796185 - -0.071679382
152 C7 Ryd(4p) 0.004477213 - 0.865997397
153 C7 Ryd(3p) 0.000346267 - 0.401286605
154 C7 Ryd(5p) 0.000070624 - 3.204515482
155 C7 Val(2p) 1.032471178 - -0.082947834
156 C7 Ryd(4p) 0.002932661 - 0.659692590
157 C7 Ryd(3p) 0.000431154 - 0.422771958
158 C7 Ryd(5p) 0.000090466 - 3.051905982
159 C7 Ryd(3d) 0.000572867 - 1.887494738
160 C7 Ryd(4d) 0.000613915 - 3.307547650
161 C7 Ryd(3d) 0.000716562 - 2.033303279
162 C7 Ryd(4d) 0.000293696 - 3.219485067
163 C7 Ryd(3d) 0.001021154 - 1.969559497
164 C7 Ryd(4d) 0.000148217 - 3.244096285
165 C7 Ryd(3d) 0.000634900 - 1.855221762
166 C7 Ryd(4d) 0.000230834 - 3.218496262
167 C7 Ryd(3d) 0.000380711 - 1.608531964
168 C7 Ryd(4d) 0.000217763 - 3.055427530
169 C8 Cor(1S) 1.999145528 - -10.028124813
170 C8 Val(2S) 0.948142731 - -0.163446372
171 C8 Ryd(4S) 0.001035963 - 1.449295846
172 C8 Ryd(3S) 0.000078669 - 0.985384698
173 C8 Ryd(5S) 0.000008730 - 21.044882875
174 C8 Val(2p) 1.142455343 - -0.058285962
175 C8 Ryd(4p) 0.006108933 - 1.046787048
176 C8 Ryd(3p) 0.000288560 - 0.489236055
177 C8 Ryd(5p) 0.000076219 - 3.276492538
178 C8 Val(2p) 1.041317786 - -0.067412168
179 C8 Ryd(4p) 0.003238827 - 0.726031212
180 C8 Ryd(3p) 0.000318809 - 0.597747197
181 C8 Ryd(5p) 0.000135419 - 3.158118628
182 C8 Val(2p) 1.045430823 - -0.082912269
183 C8 Ryd(4p) 0.003110978 - 0.718120955
184 C8 Ryd(3p) 0.000336492 - 0.451976242
185 C8 Ryd(5p) 0.000064236 - 3.029425140
186 C8 Ryd(3d) 0.000745868 - 1.955168859
187 C8 Ryd(4d) 0.000268720 - 3.353481971
188 C8 Ryd(3d) 0.000647700 - 1.669132345
189 C8 Ryd(4d) 0.000388400 - 3.266513385
190 C8 Ryd(3d) 0.001047532 - 2.109234573
191 C8 Ryd(4d) 0.000180846 - 3.353942344
192 C8 Ryd(3d) 0.000520151 - 1.858886252
193 C8 Ryd(4d) 0.000514083 - 3.362473589
194 C8 Ryd(3d) 0.000433452 - 1.568802278
195 C8 Ryd(4d) 0.000134885 - 3.104048719
196 C9 Cor(1S) 1.999027655 - -10.021897230
197 C9 Val(2S) 0.939353963 - -0.153404112
198 C9 Ryd(3S) 0.001309003 - 1.316919331
199 C9 Ryd(4S) 0.000028142 - 4.309745248
200 C9 Ryd(5S) 0.000008069 - 18.130126623
201 C9 Val(2p) 1.061616781 - -0.054024210
202 C9 Ryd(4p) 0.003634422 - 0.904903982
203 C9 Ryd(3p) 0.000279493 - 0.578353213
204 C9 Ryd(5p) 0.000155533 - 3.419651483
205 C9 Val(2p) 1.101238432 - -0.070300225
206 C9 Ryd(4p) 0.004060428 - 1.046777737
207 C9 Ryd(3p) 0.000137576 - 0.619569317
208 C9 Ryd(5p) 0.000066540 - 3.287109241
209 C9 Val(2p) 1.066983639 - -0.082127941
210 C9 Ryd(4p) 0.003646147 - 0.826686740
211 C9 Ryd(3p) 0.000237705 - 0.482527258
212 C9 Ryd(5p) 0.000042503 - 3.137662091
213 C9 Ryd(3d) 0.000722169 - 2.070178799
214 C9 Ryd(4d) 0.000283694 - 3.535656259
215 C9 Ryd(3d) 0.000690350 - 1.748145035
216 C9 Ryd(4d) 0.000217660 - 3.408094610
217 C9 Ryd(3d) 0.000991630 - 1.645568068
218 C9 Ryd(4d) 0.000317725 - 3.440736894
219 C9 Ryd(3d) 0.000625006 - 1.869792071
220 C9 Ryd(4d) 0.000450601 - 3.459042727
221 C9 Ryd(3d) 0.000556527 - 1.608834138
222 C9 Ryd(4d) 0.000122944 - 3.207066206
223 H10 Val(1S) 0.778125703 - 0.065502829
224 H10 Ryd(3S) 0.000636917 - 1.691454763
225 H10 Ryd(2S) 0.000144060 - 1.496122860
226 H10 Ryd(2p) 0.000102993 - 2.585099657
227 H10 Ryd(2p) 0.000265216 - 2.605000022
228 H10 Ryd(2p) 0.000279957 - 2.429355050
229 H11 Val(1S) 0.793217219 - 0.049287043
230 H11 Ryd(2S) 0.000541090 - 1.097205458
231 H11 Ryd(3S) 0.000160072 - 1.985552655
232 H11 Ryd(2p) 0.000350403 - 2.774129676
233 H11 Ryd(2p) 0.000107444 - 2.355027366
234 H11 Ryd(2p) 0.000210427 - 2.269795039
235 H12 Val(1S) 0.793670189 - 0.048146091
236 H12 Ryd(2S) 0.000440229 - 1.095128848
237 H12 Ryd(3S) 0.000162149 - 1.964436402
238 H12 Ryd(2p) 0.000240175 - 2.654587373
239 H12 Ryd(2p) 0.000271965 - 2.510199919
240 H12 Ryd(2p) 0.000160901 - 2.220492955
241 H13 Val(1S) 0.794639080 - 0.046332160
242 H13 Ryd(2S) 0.000542680 - 1.117104189
243 H13 Ryd(3S) 0.000155174 - 1.980515734
244 H13 Ryd(2p) 0.000090535 - 2.514393187
245 H13 Ryd(2p) 0.000288440 - 2.534521907
246 H13 Ryd(2p) 0.000294236 - 2.349712945
247 H14 Val(1S) 0.791034454 - 0.050605802
248 H14 Ryd(3S) 0.000630226 - 1.597657178
249 H14 Ryd(2S) 0.000138829 - 1.572943258
250 H14 Ryd(2p) 0.000323989 - 2.847051761
251 H14 Ryd(2p) 0.000119292 - 2.418188823
252 H14 Ryd(2p) 0.000211733 - 2.347466781
253 C15 Cor(1S) 1.998924231 - -10.029534301
254 C15 Val(2S) 0.880523784 - -0.131032755
255 C15 Ryd(3S) 0.002647008 - 1.576014893
256 C15 Ryd(4S) 0.001211839 - 1.684328379
257 C15 Ryd(5S) 0.000034041 - 20.567267818
258 C15 Val(2p) 1.008771208 - -0.095645547
259 C15 Ryd(4p) 0.003527284 - 0.705037847
260 C15 Ryd(3p) 0.001014586 - 0.535436806
261 C15 Ryd(5p) 0.000025669 - 3.016655920
262 C15 Val(2p) 1.046789695 - -0.053997932
263 C15 Ryd(4p) 0.007001635 - 1.140243669
264 C15 Ryd(3p) 0.001286197 - 0.744450575
265 C15 Ryd(5p) 0.000116688 - 3.318512024
266 C15 Val(2p) 1.078671493 - -0.053323421
267 C15 Ryd(4p) 0.005259308 - 1.093882681
268 C15 Ryd(3p) 0.000949775 - 0.755283367
269 C15 Ryd(5p) 0.000178776 - 3.765152382
270 C15 Ryd(3d) 0.000616260 - 1.541407684
271 C15 Ryd(4d) 0.000224646 - 3.520821078
272 C15 Ryd(3d) 0.000285322 - 1.452523500
273 C15 Ryd(4d) 0.000326793 - 3.384306356
274 C15 Ryd(3d) 0.000616288 - 2.259033206
275 C15 Ryd(4d) 0.000718908 - 3.664756862
276 C15 Ryd(3d) 0.000832350 - 1.768698461
277 C15 Ryd(4d) 0.000237923 - 3.611878701
278 C15 Ryd(3d) 0.000868036 - 2.377988219
279 C15 Ryd(4d) 0.000616759 - 3.604200229
280 C16 Cor(1S) 1.999004760 - -10.014931246
281 C16 Val(2S) 0.939331606 - -0.146556638
282 C16 Ryd(3S) 0.001210165 - 1.403947599
283 C16 Ryd(4S) 0.000029097 - 7.400640491
284 C16 Ryd(5S) 0.000007904 - 15.024266811
285 C16 Val(2p) 0.996234213 - -0.094221148
286 C16 Ryd(4p) 0.001271219 - 0.643800864
287 C16 Ryd(3p) 0.000300210 - 0.447114022
288 C16 Ryd(5p) 0.000040551 - 2.935867912
289 C16 Val(2p) 1.063124546 - -0.046268121
290 C16 Ryd(4p) 0.003743598 - 1.013286117
291 C16 Ryd(3p) 0.000158489 - 0.694456539
292 C16 Ryd(5p) 0.000155287 - 3.424476460
293 C16 Val(2p) 1.186035595 - -0.048159114
294 C16 Ryd(4p) 0.006740641 - 1.188336032
295 C16 Ryd(3p) 0.000117805 - 0.509024850
296 C16 Ryd(5p) 0.000063802 - 3.551495345
297 C16 Ryd(3d) 0.000491563 - 1.660290663
298 C16 Ryd(4d) 0.000143891 - 3.288875229
299 C16 Ryd(3d) 0.000455035 - 1.418638708
300 C16 Ryd(4d) 0.000075029 - 3.111240876
301 C16 Ryd(3d) 0.000801780 - 2.028764326
302 C16 Ryd(4d) 0.000382094 - 3.597350740
303 C16 Ryd(3d) 0.000965852 - 1.996133840
304 C16 Ryd(4d) 0.000191145 - 3.432052717
305 C16 Ryd(3d) 0.000825309 - 1.884557139
306 C16 Ryd(4d) 0.000594724 - 3.591686451
307 C17 Cor(1S) 1.999145245 - -10.022745274
308 C17 Val(2S) 0.947721051 - -0.157642885
309 C17 Ryd(4S) 0.001009078 - 1.488090664
310 C17 Ryd(3S) 0.000056564 - 1.281139642
311 C17 Ryd(5S) 0.000011307 - 20.813901227
312 C17 Val(2p) 1.004167189 - -0.097859726
313 C17 Ryd(4p) 0.001553748 - 0.575021087
314 C17 Ryd(3p) 0.000379222 - 0.397801773
315 C17 Ryd(5p) 0.000025982 - 2.835715023
316 C17 Val(2p) 1.120665206 - -0.047537006
317 C17 Ryd(4p) 0.005615408 - 1.000845893
318 C17 Ryd(3p) 0.000268914 - 0.501582406
319 C17 Ryd(5p) 0.000108491 - 3.347233586
320 C17 Val(2p) 1.103431390 - -0.045573235
321 C17 Ryd(4p) 0.005212724 - 0.946229383
322 C17 Ryd(3p) 0.000228634 - 0.564406379
323 C17 Ryd(5p) 0.000137971 - 3.425534071
324 C17 Ryd(3d) 0.000544112 - 1.583069221
325 C17 Ryd(4d) 0.000089453 - 3.072307849
326 C17 Ryd(3d) 0.000294726 - 1.570379864
327 C17 Ryd(4d) 0.000157835 - 3.040197945
328 C17 Ryd(3d) 0.000678611 - 2.253515485
329 C17 Ryd(4d) 0.000798034 - 3.566881517
330 C17 Ryd(3d) 0.000911368 - 1.752189020
331 C17 Ryd(4d) 0.000156387 - 3.242730727
332 C17 Ryd(3d) 0.000924989 - 2.128742647
333 C17 Ryd(4d) 0.000292434 - 3.464104578
334 C18 Cor(1S) 1.999143316 - -10.022164154
335 C18 Val(2S) 0.949778135 - -0.158501982
336 C18 Ryd(3S) 0.001063733 - 1.251381984
337 C18 Ryd(4S) 0.000084484 - 2.594426694
338 C18 Ryd(5S) 0.000006458 - 19.868873475
339 C18 Val(2p) 1.018189939 - -0.099091943
340 C18 Ryd(4p) 0.001900055 - 0.571754639
341 C18 Ryd(3p) 0.000416083 - 0.365711128
342 C18 Ryd(5p) 0.000018418 - 2.822861916
343 C18 Val(2p) 1.141997260 - -0.051751819
344 C18 Ryd(4p) 0.005986957 - 1.044353924
345 C18 Ryd(3p) 0.000305153 - 0.414358332
346 C18 Ryd(5p) 0.000074096 - 3.379792344
347 C18 Val(2p) 1.079913947 - -0.045588819
348 C18 Ryd(4p) 0.004878150 - 0.842338187
349 C18 Ryd(3p) 0.000400951 - 0.559520247
350 C18 Ryd(5p) 0.000178865 - 3.405285394
351 C18 Ryd(3d) 0.000487953 - 1.521225383
352 C18 Ryd(4d) 0.000143057 - 3.004071377
353 C18 Ryd(3d) 0.000263308 - 1.558617363
354 C18 Ryd(4d) 0.000155199 - 3.018570060
355 C18 Ryd(3d) 0.000720880 - 2.194965950
356 C18 Ryd(4d) 0.000592724 - 3.480574863
357 C18 Ryd(3d) 0.000883460 - 1.697735071
358 C18 Ryd(4d) 0.000208301 - 3.175083213
359 C18 Ryd(3d) 0.000931026 - 2.330148198
360 C18 Ryd(4d) 0.000420495 - 3.469937449
361 C19 Cor(1S) 1.999148180 - -10.023687689
362 C19 Val(2S) 0.946710316 - -0.158457377
363 C19 Ryd(4S) 0.001025578 - 1.474728734
364 C19 Ryd(3S) 0.000086260 - 0.698701151
365 C19 Ryd(5S) 0.000011319 - 21.366356518
366 C19 Val(2p) 1.004330907 - -0.098732378
367 C19 Ryd(4p) 0.001608812 - 0.563727351
368 C19 Ryd(3p) 0.000449228 - 0.426820065
369 C19 Ryd(5p) 0.000028239 - 2.795662965
370 C19 Val(2p) 1.058595395 - -0.046710037
371 C19 Ryd(4p) 0.004114183 - 0.799050423
372 C19 Ryd(3p) 0.000320009 - 0.743216704
373 C19 Ryd(5p) 0.000164631 - 3.283479135
374 C19 Val(2p) 1.166963140 - -0.049808383
375 C19 Ryd(4p) 0.006867642 - 1.128996039
376 C19 Ryd(3p) 0.000255494 - 0.523463902
377 C19 Ryd(5p) 0.000062310 - 3.291358979
378 C19 Ryd(3d) 0.000493984 - 1.748453002
379 C19 Ryd(4d) 0.000130659 - 3.092418606
380 C19 Ryd(3d) 0.000348994 - 1.506003399
381 C19 Ryd(4d) 0.000089577 - 2.931152258
382 C19 Ryd(3d) 0.000769832 - 2.120469117
383 C19 Ryd(4d) 0.000287666 - 3.463472534
384 C19 Ryd(3d) 0.000975397 - 2.120407956
385 C19 Ryd(4d) 0.000178891 - 3.263671174
386 C19 Ryd(3d) 0.000742115 - 1.945541730
387 C19 Ryd(4d) 0.000725186 - 3.434335948
388 C20 Cor(1S) 1.999019301 - -10.019464221
389 C20 Val(2S) 0.935384623 - -0.150660719
390 C20 Ryd(3S) 0.001420907 - 1.273857922
391 C20 Ryd(4S) 0.000031906 - 1.562493100
392 C20 Ryd(5S) 0.000006851 - 20.937757319
393 C20 Val(2p) 1.007259523 - -0.099773748
394 C20 Ryd(4p) 0.001207413 - 0.674415072
395 C20 Ryd(3p) 0.000472006 - 0.524837643
396 C20 Ryd(5p) 0.000049948 - 2.912678247
397 C20 Val(2p) 1.133103468 - -0.055454236
398 C20 Ryd(4p) 0.004312329 - 1.248396320
399 C20 Ryd(3p) 0.000114294 - 0.744702080
400 C20 Ryd(5p) 0.000093711 - 3.440033068
401 C20 Val(2p) 1.110238970 - -0.047709862
402 C20 Ryd(4p) 0.004436739 - 1.065872721
403 C20 Ryd(3p) 0.000221266 - 0.531705730
404 C20 Ryd(5p) 0.000135390 - 3.337812092
405 C20 Ryd(3d) 0.000514008 - 1.549556054
406 C20 Ryd(4d) 0.000125047 - 3.183708358
407 C20 Ryd(3d) 0.000402585 - 1.543442088
408 C20 Ryd(4d) 0.000108600 - 3.207093613
409 C20 Ryd(3d) 0.000763314 - 2.160361976
410 C20 Ryd(4d) 0.000635118 - 3.689881620
411 C20 Ryd(3d) 0.000996668 - 1.759765983
412 C20 Ryd(4d) 0.000162902 - 3.388899993
413 C20 Ryd(3d) 0.000906898 - 2.084032651
414 C20 Ryd(4d) 0.000329068 - 3.613752197
415 H21 Val(1S) 0.791218575 - 0.054947785
416 H21 Ryd(2S) 0.001355127 - 0.704044102
417 H21 Ryd(3S) 0.000240461 - 2.421452772
418 H21 Ryd(2p) 0.000204973 - 2.039820079
419 H21 Ryd(2p) 0.000198922 - 2.832785560
420 H21 Ryd(2p) 0.000158651 - 2.804015279
421 H22 Val(1S) 0.794399921 - 0.052376319
422 H22 Ryd(2S) 0.000569656 - 1.122649261
423 H22 Ryd(3S) 0.000157900 - 1.996949640
424 H22 Ryd(2p) 0.000204574 - 1.986628251
425 H22 Ryd(2p) 0.000062943 - 2.544598131
426 H22 Ryd(2p) 0.000393395 - 2.892148898
427 H23 Val(1S) 0.794844168 - 0.052954483
428 H23 Ryd(2S) 0.000483054 - 1.100139110
429 H23 Ryd(3S) 0.000160420 - 1.957580436
430 H23 Ryd(2p) 0.000235970 - 2.006826780
431 H23 Ryd(2p) 0.000333516 - 2.795956274
432 H23 Ryd(2p) 0.000102077 - 2.603574585
433 H24 Val(1S) 0.795095409 - 0.053759913
434 H24 Ryd(2S) 0.000481712 - 1.139378984
435 H24 Ryd(3S) 0.000169655 - 1.952251131
436 H24 Ryd(2p) 0.000210459 - 1.987553218
437 H24 Ryd(2p) 0.000271981 - 2.739149677
438 H24 Ryd(2p) 0.000185499 - 2.692797875
439 H25 Val(1S) 0.770930715 - 0.077923252
440 H25 Ryd(3S) 0.000565830 - 1.676348206
441 H25 Ryd(2S) 0.000152829 - 1.566311264
442 H25 Ryd(2p) 0.000202259 - 2.056834581
443 H25 Ryd(2p) 0.000080523 - 2.611195307
444 H25 Ryd(2p) 0.000365449 - 2.995536738
445 C26 Cor(1S) 1.999192602 - -10.022849047
446 C26 Val(2S) 1.015935984 - -0.218147728
447 C26 Ryd(3S) 0.001687130 - 1.182150665
448 C26 Ryd(4S) 0.000049911 - 2.393074437
449 C26 Ryd(5S) 0.000006026 - 22.034144393
450 C26 Val(2p) 1.032462092 - -0.076599059
451 C26 Ryd(3p) 0.004333993 - 0.900924560
452 C26 Ryd(4p) 0.000091630 - 2.043490180
453 C26 Ryd(5p) 0.000071123 - 2.374024556
454 C26 Val(2p) 1.144116992 - -0.087969700
455 C26 Ryd(3p) 0.003412428 - 0.763691095
456 C26 Ryd(4p) 0.000126485 - 1.825092989
457 C26 Ryd(5p) 0.000108832 - 2.533281680
458 C26 Val(2p) 1.186528551 - -0.086683926
459 C26 Ryd(3p) 0.004076454 - 0.723880280
460 C26 Ryd(4p) 0.000148600 - 1.724119103
461 C26 Ryd(5p) 0.000036910 - 2.561847903
462 C26 Ryd(3d) 0.000766930 - 1.687017145
463 C26 Ryd(4d) 0.000156514 - 3.517572644
464 C26 Ryd(3d) 0.000608069 - 1.569145886
465 C26 Ryd(4d) 0.000291888 - 3.217308933
466 C26 Ryd(3d) 0.000913002 - 1.571161050
467 C26 Ryd(4d) 0.000148082 - 3.246945153
468 C26 Ryd(3d) 0.000977372 - 1.687891845
469 C26 Ryd(4d) 0.000267999 - 3.566932630
470 C26 Ryd(3d) 0.001884785 - 1.670248090
471 C26 Ryd(4d) 0.000130772 - 3.539770035
472 C27 Cor(1S) 1.999096959 - -10.014722282
473 C27 Val(2S) 1.016693137 - -0.216351374
474 C27 Ryd(3S) 0.001795209 - 1.159219445
475 C27 Ryd(4S) 0.000065267 - 1.389900047
476 C27 Ryd(5S) 0.000005575 - 22.757408815
477 C27 Val(2p) 1.037528201 - -0.079928580
478 C27 Ryd(3p) 0.003602489 - 0.853834200
479 C27 Ryd(4p) 0.000126421 - 0.925726652
480 C27 Ryd(5p) 0.000114641 - 3.379718290
481 C27 Val(2p) 1.143074813 - -0.084233001
482 C27 Ryd(3p) 0.003226259 - 0.666684232
483 C27 Ryd(4p) 0.000107590 - 0.674051591
484 C27 Ryd(5p) 0.000100288 - 3.350119654
485 C27 Val(2p) 1.199500844 - -0.084879974
486 C27 Ryd(4p) 0.004282519 - 0.749309196
487 C27 Ryd(3p) 0.000161064 - 0.653789451
488 C27 Ryd(5p) 0.000048835 - 3.330211845
489 C27 Ryd(3d) 0.000886897 - 1.612631125
490 C27 Ryd(4d) 0.000215525 - 3.574422686
491 C27 Ryd(3d) 0.000557737 - 1.444934827
492 C27 Ryd(4d) 0.000216401 - 3.335238491
493 C27 Ryd(3d) 0.001155820 - 1.453478635
494 C27 Ryd(4d) 0.000168630 - 3.393755421
495 C27 Ryd(3d) 0.001187294 - 1.587458000
496 C27 Ryd(4d) 0.000340135 - 3.622927229
497 C27 Ryd(3d) 0.001754642 - 1.556933997
498 C27 Ryd(4d) 0.000159230 - 3.585828026
499 C28 Cor(1S) 1.999142356 - -10.156946321
500 C28 Val(2S) 0.866018266 - -0.206191191
501 C28 Ryd(3S) 0.001479355 - 1.089451302
502 C28 Ryd(4S) 0.000098997 - 2.488532083
503 C28 Ryd(5S) 0.000014935 - 21.893316628
504 C28 Val(2p) 1.031092249 - -0.097971367
505 C28 Ryd(3p) 0.004993773 - 1.066748297
506 C28 Ryd(4p) 0.000270440 - 1.445539262
507 C28 Ryd(5p) 0.000042078 - 2.427940877
508 C28 Val(2p) 0.792511178 - -0.080137492
509 C28 Ryd(3p) 0.006049382 - 1.006545754
510 C28 Ryd(4p) 0.000362697 - 1.611962487
511 C28 Ryd(5p) 0.000055700 - 2.373316614
512 C28 Val(2p) 0.668052773 - -0.061707886
513 C28 Ryd(3p) 0.009735066 - 0.905392892
514 C28 Ryd(4p) 0.000308860 - 1.632744490
515 C28 Ryd(5p) 0.000035633 - 2.387472912
516 C28 Ryd(3d) 0.001303196 - 2.314403227
517 C28 Ryd(4d) 0.000232095 - 3.099277617
518 C28 Ryd(3d) 0.000914377 - 2.290054963
519 C28 Ryd(4d) 0.000384259 - 2.836831278
520 C28 Ryd(3d) 0.001445672 - 2.449770989
521 C28 Ryd(4d) 0.000395560 - 2.952415628
522 C28 Ryd(3d) 0.001374642 - 2.343200905
523 C28 Ryd(4d) 0.000214502 - 3.067362178
524 C28 Ryd(3d) 0.001799504 - 2.522222427
525 C28 Ryd(4d) 0.000220890 - 3.126986829
526 C29 Cor(1S) 1.999206606 - -10.012399754
527 C29 Val(2S) 1.088250232 - -0.248371706
528 C29 Ryd(3S) 0.000403825 - 1.049770640
529 C29 Ryd(4S) 0.000091009 - 1.578877458
530 C29 Ryd(5S) 0.000001906 - 22.383626421
531 C29 Val(2p) 1.154324247 - -0.093437442
532 C29 Ryd(4p) 0.002978162 - 0.663774169
533 C29 Ryd(3p) 0.000184346 - 0.406104391
534 C29 Ryd(5p) 0.000037950 - 3.046257977
535 C29 Val(2p) 1.147303213 - -0.093005762
536 C29 Ryd(4p) 0.002010569 - 0.646736904
537 C29 Ryd(3p) 0.000216695 - 0.410744249
538 C29 Ryd(5p) 0.000034779 - 3.047934125
539 C29 Val(2p) 1.196367648 - -0.091691118
540 C29 Ryd(4p) 0.001685660 - 0.660405666
541 C29 Ryd(3p) 0.000109214 - 0.433536465
542 C29 Ryd(5p) 0.000017321 - 3.080085618
543 C29 Ryd(3d) 0.001768601 - 1.603841860
544 C29 Ryd(4d) 0.000068326 - 3.307708652
545 C29 Ryd(3d) 0.000798809 - 1.446106170
546 C29 Ryd(4d) 0.000058647 - 3.144747853
547 C29 Ryd(3d) 0.001033272 - 1.512504792
548 C29 Ryd(4d) 0.000072878 - 3.251602467
549 C29 Ryd(3d) 0.000835208 - 1.571799574
550 C29 Ryd(4d) 0.000185000 - 3.350095348
551 C29 Ryd(3d) 0.001740645 - 1.612108541
552 C29 Ryd(4d) 0.000092259 - 3.390906867
553 H30 Val(1S) 0.794887754 - 0.036440248
554 H30 Ryd(2S) 0.001128065 - 1.107082150
555 H30 Ryd(3S) 0.000138850 - 1.757099387
556 H30 Ryd(2p) 0.000265342 - 2.816784981
557 H30 Ryd(2p) 0.000115616 - 2.139392289
558 H30 Ryd(2p) 0.000125047 - 2.068442947
559 H31 Val(1S) 0.790913064 - 0.038593299
560 H31 Ryd(2S) 0.000841419 - 0.923146772
561 H31 Ryd(3S) 0.000128839 - 1.972431034
562 H31 Ryd(2p) 0.000129899 - 2.131572147
563 H31 Ryd(2p) 0.000237990 - 2.781982835
564 H31 Ryd(2p) 0.000121848 - 2.150232158
565 H32 Val(1S) 0.787591066 - 0.039567866
566 H32 Ryd(2S) 0.000821485 - 0.922779078
567 H32 Ryd(3S) 0.000134884 - 1.963668237
568 H32 Ryd(2p) 0.000126408 - 2.097408868
569 H32 Ryd(2p) 0.000116489 - 2.101009229
570 H32 Ryd(2p) 0.000240354 - 2.862456632
571 O33 Cor(1S) 1.999743380 - -18.919793843
572 O33 Val(2S) 1.627694914 - -0.871567432
573 O33 Ryd(3S) 0.001974078 - 1.638110909
574 O33 Ryd(4S) 0.000056438 - 2.102879191
575 O33 Ryd(5S) 0.000000621 - 49.286829996
576 O33 Val(2p) 1.867663250 - -0.294399017
577 O33 Ryd(3p) 0.003563179 - 0.702010934
578 O33 Ryd(4p) 0.000830396 - 1.073914715
579 O33 Ryd(5p) 0.000007649 - 5.028044975
580 O33 Val(2p) 1.421961552 - -0.287117770
581 O33 Ryd(3p) 0.002714160 - 0.875651611
582 O33 Ryd(4p) 0.000795315 - 1.144702675
583 O33 Ryd(5p) 0.000030456 - 4.770886396
584 O33 Val(2p) 1.688927050 - -0.312977816
585 O33 Ryd(3p) 0.002502150 - 0.646145294
586 O33 Ryd(4p) 0.000996478 - 1.016971898
587 O33 Ryd(5p) 0.000068970 - 4.939150921
588 O33 Ryd(3d) 0.000750075 - 1.926279823
589 O33 Ryd(4d) 0.000037924 - 7.011021808
590 O33 Ryd(3d) 0.002872456 - 1.857970859
591 O33 Ryd(4d) 0.000027342 - 6.965138333
592 O33 Ryd(3d) 0.003724894 - 2.204621150
593 O33 Ryd(4d) 0.000051230 - 7.128899775
594 O33 Ryd(3d) 0.001085047 - 1.913628342
595 O33 Ryd(4d) 0.000031780 - 6.984817946
596 O33 Ryd(3d) 0.003209662 - 1.946986720
597 O33 Ryd(4d) 0.000043978 - 7.039431163
598 C34 Cor(1S) 1.999219035 - -10.100301918
599 C34 Val(2S) 1.022493454 - -0.251092625
600 C34 Ryd(4S) 0.001635781 - 1.103310089
601 C34 Ryd(3S) 0.000191564 - 1.021534930
602 C34 Ryd(5S) 0.000006943 - 23.124422798
603 C34 Val(2p) 1.143021789 - -0.100121282
604 C34 Ryd(4p) 0.002115090 - 0.991802012
605 C34 Ryd(3p) 0.000754349 - 0.537410106
606 C34 Ryd(5p) 0.000075959 - 2.628792159
607 C34 Val(2p) 0.988164212 - -0.096930922
608 C34 Ryd(4p) 0.001513283 - 0.897860879
609 C34 Ryd(3p) 0.000247459 - 0.427170105
610 C34 Ryd(5p) 0.000059122 - 2.548723752
611 C34 Val(2p) 0.871368951 - -0.087472040
612 C34 Ryd(4p) 0.004411428 - 0.895470345
613 C34 Ryd(3p) 0.000326320 - 0.522454147
614 C34 Ryd(5p) 0.000137316 - 2.575327929
615 C34 Ryd(3d) 0.001704924 - 1.924509178
616 C34 Ryd(4d) 0.000126788 - 3.150940948
617 C34 Ryd(3d) 0.001134504 - 1.778218739
618 C34 Ryd(4d) 0.000111585 - 2.814285126
619 C34 Ryd(3d) 0.001628483 - 2.127297372
620 C34 Ryd(4d) 0.000171765 - 3.318699772
621 C34 Ryd(3d) 0.001399306 - 1.869640984
622 C34 Ryd(4d) 0.000194552 - 3.014968793
623 C34 Ryd(3d) 0.000921642 - 1.860444089
624 C34 Ryd(4d) 0.000196856 - 2.975238913
625 C35 Cor(1S) 1.999221729 - -10.101351531
626 C35 Val(2S) 1.022451698 - -0.252591135
627 C35 Ryd(4S) 0.001567301 - 1.136966955
628 C35 Ryd(3S) 0.000181483 - 1.001292554
629 C35 Ryd(5S) 0.000006785 - 23.126770246
630 C35 Val(2p) 1.013722460 - -0.093904605
631 C35 Ryd(4p) 0.001904303 - 0.884593020
632 C35 Ryd(3p) 0.000701517 - 0.575169472
633 C35 Ryd(5p) 0.000058234 - 2.545632129
634 C35 Val(2p) 0.867682569 - -0.088099668
635 C35 Ryd(4p) 0.003814254 - 0.872264371
636 C35 Ryd(3p) 0.000304601 - 0.606994251
637 C35 Ryd(5p) 0.000140861 - 2.556541537
638 C35 Val(2p) 1.127397540 - -0.111492120
639 C35 Ryd(4p) 0.002991243 - 1.023493566
640 C35 Ryd(3p) 0.000310426 - 0.535042597
641 C35 Ryd(5p) 0.000079224 - 2.463844687
642 C35 Ryd(3d) 0.001667294 - 2.023802553
643 C35 Ryd(4d) 0.000163769 - 3.205306805
644 C35 Ryd(3d) 0.000751987 - 1.834968576
645 C35 Ryd(4d) 0.000179217 - 2.936563508
646 C35 Ryd(3d) 0.001393007 - 2.005326687
647 C35 Ryd(4d) 0.000107928 - 3.114624553
648 C35 Ryd(3d) 0.001822055 - 1.813131975
649 C35 Ryd(4d) 0.000085540 - 2.828595763
650 C35 Ryd(3d) 0.001091810 - 1.930939623
651 C35 Ryd(4d) 0.000244282 - 3.113386892
652 O36 Cor(1S) 1.999741310 - -18.920766318
653 O36 Val(2S) 1.626234179 - -0.876976097
654 O36 Ryd(3S) 0.001608738 - 1.663866280
655 O36 Ryd(4S) 0.000022656 - 1.959134204
656 O36 Ryd(5S) 0.000000608 - 49.329639033
657 O36 Val(2p) 1.744536800 - -0.299410239
658 O36 Ryd(3p) 0.002383843 - 0.719712733
659 O36 Ryd(4p) 0.000842825 - 1.120821789
660 O36 Ryd(5p) 0.000017601 - 4.938907264
661 O36 Val(2p) 1.670658534 - -0.299243409
662 O36 Ryd(3p) 0.003467516 - 0.740574566
663 O36 Ryd(4p) 0.000758624 - 1.111676908
664 O36 Ryd(5p) 0.000023714 - 4.918291653
665 O36 Val(2p) 1.552173369 - -0.311246896
666 O36 Ryd(3p) 0.002594154 - 0.724926301
667 O36 Ryd(4p) 0.001211923 - 1.048294921
668 O36 Ryd(5p) 0.000063014 - 4.880511919
669 O36 Ryd(3d) 0.003006081 - 1.987541996
670 O36 Ryd(4d) 0.000012073 - 7.012183869
671 O36 Ryd(3d) 0.001865234 - 1.901405783
672 O36 Ryd(4d) 0.000050051 - 7.002185279
673 O36 Ryd(3d) 0.002008575 - 1.952777355
674 O36 Ryd(4d) 0.000049433 - 7.042927321
675 O36 Ryd(3d) 0.001330575 - 1.813220036
676 O36 Ryd(4d) 0.000039293 - 6.958164518
677 O36 Ryd(3d) 0.003980668 - 2.154332333
678 O36 Ryd(4d) 0.000041009 - 7.103188242
679 H37 Val(1S) 0.808893264 - 0.011907020
680 H37 Ryd(2S) 0.000777202 - 0.731970009
681 H37 Ryd(3S) 0.000194629 - 2.180650335
682 H37 Ryd(2p) 0.000072921 - 2.202311483
683 H37 Ryd(2p) 0.000139674 - 2.294389578
684 H37 Ryd(2p) 0.000387421 - 2.808904526
685 H38 Val(1S) 0.834805227 - 0.005562928
686 H38 Ryd(2S) 0.001441972 - 0.780534807
687 H38 Ryd(3S) 0.000210286 - 2.150201795
688 H38 Ryd(2p) 0.000349474 - 2.882021985
689 H38 Ryd(2p) 0.000121689 - 2.237759539
690 H38 Ryd(2p) 0.000145999 - 2.184291700
691 H39 Val(1S) 0.835438741 - 0.008022764
692 H39 Ryd(2S) 0.001518613 - 0.831818131
693 H39 Ryd(3S) 0.000255597 - 2.113218801
694 H39 Ryd(2p) 0.000239639 - 2.499741967
695 H39 Ryd(2p) 0.000240623 - 2.600224741
696 H39 Ryd(2p) 0.000127630 - 2.178580571
697 H40 Val(1S) 0.816113898 - 0.011036483
698 H40 Ryd(2S) 0.001069066 - 0.618178255
699 H40 Ryd(3S) 0.000235470 - 2.221078106
700 H40 Ryd(2p) 0.000262593 - 2.569209085
701 H40 Ryd(2p) 0.000228861 - 2.494517004
702 H40 Ryd(2p) 0.000122492 - 2.234007866
703 H41 Val(1S) 0.779837073 - 0.051146086
704 H41 Ryd(2S) 0.000841058 - 1.442870323
705 H41 Ryd(3S) 0.000147434 - 1.697085943
706 H41 Ryd(2p) 0.000172985 - 2.420664392
707 H41 Ryd(2p) 0.000228514 - 2.885948392
708 H41 Ryd(2p) 0.000125944 - 2.329902892
709 H42 Val(1S) 0.776298943 - 0.054230884
710 H42 Ryd(2S) 0.000969162 - 1.381318161
711 H42 Ryd(3S) 0.000260012 - 1.745957941
712 H42 Ryd(2p) 0.000181032 - 2.403193536
713 H42 Ryd(2p) 0.000126677 - 2.272444115
714 H42 Ryd(2p) 0.000260322 - 2.963030530
715 H43 Val(1S) 0.791087221 - 0.044387033
716 H43 Ryd(2S) 0.001419422 - 1.565347677
717 H43 Ryd(3S) 0.000237742 - 1.655194611
718 H43 Ryd(2p) 0.000188726 - 2.490482589
719 H43 Ryd(2p) 0.000223935 - 2.883071052
720 H43 Ryd(2p) 0.000126874 - 2.299617483
721 H44 Val(1S) 0.784640381 - 0.049958905
722 H44 Ryd(2S) 0.002182152 - 0.691596394
723 H44 Ryd(3S) 0.000251521 - 2.475426482
724 H44 Ryd(2p) 0.000185271 - 2.437143927
725 H44 Ryd(2p) 0.000124696 - 2.270521909
726 H44 Ryd(2p) 0.000211359 - 3.021437056

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(O2) 1s(18.59%)p4.37(81.29%)d0.01(0.12%) 0.676187417 - -0.092399482
2 BD(1)O2(C1) 2s(31.42%)p2.18(68.40%)d0.01(0.18%) 1.349104538 - -0.459506360
3 BD(1)C1(C4) 1s(27.32%)p2.66(72.61%)d0.00(0.07%) 1.007040290 - -0.111623463
4 BD(1)C4(C1) 4s(30.96%)p2.23(68.98%)d0.00(0.06%) 1.003019263 - -0.105048864
5 BD(1)C1(C15) 1s(26.72%)p2.74(73.21%)d0.00(0.08%) 1.010075281 - -0.110342874
6 BD(1)C15(C1) 15s(30.84%)p2.24(69.10%)d0.00(0.06%) 0.993193180 - -0.100513100
7 BD(1)C1(C26) 1s(27.41%)p2.65(72.55%)d0.00(0.04%) 1.021918728 - -0.124949835
8 BD(1)C26(C1) 26s(27.73%)p2.60(72.16%)d0.00(0.11%) 0.982313433 - -0.103058408
9 BD(1)O2(H3) 2s(20.43%)p3.88(79.27%)d0.01(0.30%) 1.467145281 - -0.418407265
10 BD(1)H3(O2) 3s(99.95%)p0.00(0.05%) 0.526938405 - 0.130782635
11 BD(1)C4(C5) 4s(35.05%)p1.85(64.88%)d0.00(0.07%) 1.008896159 - -0.069128244
12 BD(1)C5(C4) 5s(36.09%)p1.77(63.80%)d0.00(0.11%) 0.987889063 - -0.056363561
13 BD(2)C4(C5) 4s(0.01%)p1.00(99.97%)d0.00(0.03%) 1.008918526 - -0.106075432
14 BD(2)C5(C4) 5s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.006102732 - -0.111283776
15 BD(1)C4(C9) 4s(33.90%)p1.95(66.02%)d0.00(0.08%) 1.010604027 - -0.067307086
16 BD(1)C9(C4) 9s(35.71%)p1.80(64.18%)d0.00(0.11%) 0.983580147 - -0.053010088
17 BD(1)C5(C6) 5s(35.69%)p1.80(64.22%)d0.00(0.10%) 1.004430425 - -0.065490463
18 BD(1)C6(C5) 6s(35.76%)p1.79(64.13%)d0.00(0.12%) 0.988788567 - -0.058085482
19 BD(1)C5(H14) 5s(28.08%)p2.56(71.88%)d0.00(0.05%) 1.200943758 - -0.128029838
20 BD(1)H14(C5) 14s(99.96%)p0.00(0.04%) 0.791342915 - 0.053050098
21 BD(1)C6(C7) 6s(35.95%)p1.78(63.94%)d0.00(0.11%) 0.999198257 - -0.062217109
22 BD(1)C7(C6) 7s(35.77%)p1.79(64.12%)d0.00(0.11%) 0.995972115 - -0.059371663
23 BD(2)C6(C7) 6s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.999714350 - -0.110465838
24 BD(2)C7(C6) 7s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.999689947 - -0.109992046
25 BD(1)C6(H13) 6s(28.15%)p2.55(71.81%)d0.00(0.04%) 1.198179443 - -0.130155558
26 BD(1)H13(C6) 13s(99.96%)p0.00(0.04%) 0.794989192 - 0.048457855
27 BD(1)C7(C8) 7s(35.60%)p1.81(64.29%)d0.00(0.11%) 0.997486475 - -0.061336976
28 BD(1)C8(C7) 8s(35.67%)p1.80(64.22%)d0.00(0.11%) 0.997945499 - -0.062314464
29 BD(1)C7(H12) 7s(28.49%)p2.51(71.47%)d0.00(0.04%) 1.199562998 - -0.129934356
30 BD(1)H12(C7) 12s(99.96%)p0.00(0.04%) 0.794019524 - 0.050199758
31 BD(1)C8(C9) 8s(35.99%)p1.78(63.89%)d0.00(0.11%) 0.991815155 - -0.055723464
32 BD(1)C9(C8) 9s(35.90%)p1.78(64.00%)d0.00(0.10%) 1.001186660 - -0.060486646
33 BD(2)C8(C9) 8s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.995521504 - -0.108653727
34 BD(2)C9(C8) 9s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.976878955 - -0.104973104
35 BD(1)C8(H11) 8s(28.19%)p2.55(71.77%)d0.00(0.04%) 1.199823081 - -0.128807573
36 BD(1)H11(C8) 11s(99.96%)p0.00(0.04%) 0.793565608 - 0.051410617
37 BD(1)C9(H10) 9s(28.25%)p2.54(71.70%)d0.00(0.05%) 1.213407619 - -0.125280495
38 BD(1)H10(C9) 10s(99.96%)p0.00(0.04%) 0.778438076 - 0.068066362
39 BD(1)C15(C16) 15s(34.95%)p1.86(64.98%)d0.00(0.07%) 1.013922483 - -0.063433848
40 BD(1)C16(C15) 16s(35.67%)p1.80(64.22%)d0.00(0.11%) 0.981049635 - -0.045378102
41 BD(2)C15(C16) 15s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.004224466 - -0.099341299
42 BD(2)C16(C15) 16s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.987953182 - -0.098281031
43 BD(1)C15(C20) 15s(34.11%)p1.93(65.80%)d0.00(0.08%) 1.007206819 - -0.061019762
44 BD(1)C20(C15) 20s(36.06%)p1.77(63.84%)d0.00(0.10%) 0.986382999 - -0.051236357
45 BD(1)C16(C17) 16s(35.60%)p1.81(64.30%)d0.00(0.10%) 1.001535683 - -0.055014228
46 BD(1)C17(C16) 17s(35.84%)p1.79(64.05%)d0.00(0.11%) 0.990901224 - -0.050767392
47 BD(1)C16(H25) 16s(28.58%)p2.50(71.37%)d0.00(0.05%) 1.220128232 - -0.119843960
48 BD(1)H25(C16) 25s(99.96%)p0.00(0.04%) 0.771242192 - 0.080501024
49 BD(1)C17(C18) 17s(35.90%)p1.78(63.99%)d0.00(0.11%) 0.997648599 - -0.055262320
50 BD(1)C18(C17) 18s(35.80%)p1.79(64.09%)d0.00(0.11%) 0.997831320 - -0.054173032
51 BD(2)C17(C18) 17s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.997297445 - -0.103341988
52 BD(2)C18(C17) 18s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.005876188 - -0.104426491
53 BD(1)C17(H24) 17s(28.11%)p2.56(71.85%)d0.00(0.04%) 1.197753967 - -0.122384433
54 BD(1)H24(C17) 24s(99.96%)p0.00(0.04%) 0.795439720 - 0.055890285
55 BD(1)C18(C19) 18s(35.59%)p1.81(64.30%)d0.00(0.11%) 0.995853747 - -0.055154554
56 BD(1)C19(C18) 19s(35.79%)p1.79(64.10%)d0.00(0.11%) 0.999193098 - -0.057683530
57 BD(1)C18(H23) 18s(28.48%)p2.51(71.48%)d0.00(0.04%) 1.198495625 - -0.123976044
58 BD(1)H23(C18) 23s(99.96%)p0.00(0.04%) 0.795189868 - 0.055027344
59 BD(1)C19(C20) 19s(35.89%)p1.78(64.00%)d0.00(0.11%) 0.988550722 - -0.051102557
60 BD(1)C20(C19) 20s(35.98%)p1.78(63.93%)d0.00(0.09%) 1.004134967 - -0.058458007
61 BD(2)C19(C20) 19s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.998200457 - -0.104122136
62 BD(2)C20(C19) 20s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.999188921 - -0.103679223
63 BD(1)C19(H22) 19s(28.17%)p2.55(71.78%)d0.00(0.04%) 1.198419313 - -0.124238036
64 BD(1)H22(C19) 22s(99.96%)p0.00(0.04%) 0.794747913 - 0.054511025
65 BD(1)C20(H21) 20s(27.82%)p2.59(72.12%)d0.00(0.07%) 1.202136450 - -0.124538559
66 BD(1)H21(C20) 21s(99.97%)p0.00(0.03%) 0.791441662 - 0.057294104
67 BD(1)C26(C27) 26s(28.17%)p2.55(71.77%)d0.00(0.07%) 0.999895189 - -0.100257577
68 BD(1)C27(C26) 27s(28.37%)p2.52(71.56%)d0.00(0.07%) 0.991809498 - -0.096330923
69 BD(1)C26(H43) 26s(21.82%)p3.58(78.08%)d0.00(0.10%) 1.199376943 - -0.127101985
70 BD(1)H43(C26) 43s(99.98%)p0.00(0.02%) 0.791255883 - 0.046684158
71 BD(1)C26(H44) 26s(22.30%)p3.48(77.58%)d0.01(0.11%) 1.202795589 - -0.126897577
72 BD(1)H44(C26) 44s(99.98%)p0.00(0.02%) 0.784792539 - 0.052097397
73 BD(1)C27(C28) 27s(28.03%)p2.56(71.82%)d0.01(0.15%) 1.001819795 - -0.107775664
74 BD(1)C28(C27) 28s(30.53%)p2.27(69.40%)d0.00(0.07%) 1.010777086 - -0.123215523
75 BD(1)C27(H41) 27s(21.82%)p3.58(78.08%)d0.00(0.10%) 1.202113304 - -0.123341876
76 BD(1)H41(C27) 41s(99.98%)p0.00(0.02%) 0.780015562 - 0.052777178
77 BD(1)C27(H42) 27s(21.81%)p3.58(78.09%)d0.00(0.10%) 1.206890281 - -0.123594198
78 BD(1)H42(C27) 42s(99.97%)p0.00(0.03%) 0.776503541 - 0.056136886
79 BD(1)C28(C29) 28s(29.94%)p2.34(69.99%)d0.00(0.07%) 1.019950509 - -0.138799379
80 BD(1)C29(C28) 29s(29.65%)p2.37(70.18%)d0.01(0.17%) 1.002005632 - -0.114883757
81 BD(1)C28(O33) 28s(19.60%)p4.09(80.21%)d0.01(0.18%) 0.668412363 - -0.082930549
82 BD(1)O33(C28) 33s(30.06%)p2.32(69.72%)d0.01(0.22%) 1.390135813 - -0.463515801
83 BD(1)C28(O36) 28s(19.90%)p4.02(79.92%)d0.01(0.18%) 0.663003293 - -0.078752756
84 BD(1)O36(C28) 36s(30.14%)p2.31(69.63%)d0.01(0.23%) 1.387204539 - -0.469563638
85 BD(1)C29(H30) 29s(23.43%)p3.26(76.47%)d0.00(0.10%) 1.195288485 - -0.132230998
86 BD(1)H30(C29) 30s(99.98%)p0.00(0.02%) 0.795092246 - 0.037898221
87 BD(1)C29(H31) 29s(23.46%)p3.26(76.43%)d0.00(0.11%) 1.197075219 - -0.132602449
88 BD(1)H31(C29) 31s(99.98%)p0.00(0.02%) 0.791109208 - 0.039927844
89 BD(1)C29(H32) 29s(23.40%)p3.27(76.49%)d0.00(0.11%) 1.198874759 - -0.132704359
90 BD(1)H32(C29) 32s(99.98%)p0.00(0.02%) 0.787777918 - 0.040808973
91 BD(1)O33(C34) 33s(27.09%)p2.68(72.66%)d0.01(0.25%) 1.344398995 - -0.437534947
92 BD(1)C34(O33) 34s(20.77%)p3.81(79.04%)d0.01(0.19%) 0.656584199 - -0.069108969
93 BD(1)C34(C35) 34s(28.69%)p2.48(71.20%)d0.00(0.11%) 1.008058069 - -0.137097639
94 BD(1)C35(C34) 35s(28.63%)p2.49(71.26%)d0.00(0.11%) 1.009212150 - -0.139151133
95 BD(1)C34(H39) 34s(25.26%)p2.96(74.64%)d0.00(0.11%) 1.181635579 - -0.152673120
96 BD(1)H39(C34) 39s(99.96%)p0.00(0.04%) 0.835750514 - 0.011145796
97 BD(1)C34(H40) 34s(25.33%)p2.94(74.58%)d0.00(0.09%) 1.187297050 - -0.153169442
98 BD(1)H40(C34) 40s(99.96%)p0.00(0.04%) 0.816482867 - 0.013562409
99 BD(1)C35(O36) 35s(20.62%)p3.84(79.19%)d0.01(0.19%) 0.657610195 - -0.070697453
100 BD(1)O36(C35) 36s(26.52%)p2.76(73.22%)d0.01(0.26%) 1.344297108 - -0.439135281
101 BD(1)C35(H37) 35s(25.40%)p2.93(74.51%)d0.00(0.09%) 1.190399545 - -0.156042887
102 BD(1)H37(C35) 37s(99.96%)p0.00(0.04%) 0.809249875 - 0.013989665
103 BD(1)C35(H38) 35s(25.36%)p2.94(74.53%)d0.00(0.11%) 1.183184002 - -0.157183673
104 BD(1)H38(C35) 38s(99.96%)p0.00(0.04%) 0.835109887 - 0.008642858
105 CR(1)C1 s(100.00%)p0.00(0.00%) 1.998898869 - -10.110334513
106 CR(1)O2 s(100.00%)p0.00(0.00%) 1.999777886 - -18.910908773
107 CR(1)C4 s(100.00%) 1.998936017 - -10.034691579
108 CR(1)C5 s(100.00%)p0.00(0.00%) 1.999027565 - -10.026294109
109 CR(1)C6 s(100.00%)p0.00(0.00%) 1.999151241 - -10.029792545
110 CR(1)C7 s(100.00%)p0.00(0.00%) 1.999145883 - -10.028618433
111 CR(1)C8 s(100.00%)p0.00(0.00%) 1.999148240 - -10.028374021
112 CR(1)C9 s(100.00%)p0.00(0.00%) 1.999030652 - -10.022125970
113 CR(1)C15 s(100.00%)p0.00(0.00%) 1.998921828 - -10.029400632
114 CR(1)C16 s(100.00%)p0.00(0.00%) 1.999007591 - -10.015167077
115 CR(1)C17 s(100.00%)p0.00(0.00%) 1.999147945 - -10.022989031
116 CR(1)C18 s(100.00%)p0.00(0.00%) 1.999146197 - -10.022431150
117 CR(1)C19 s(100.00%)p0.00(0.00%) 1.999150946 - -10.023930101
118 CR(1)C20 s(100.00%)p0.00(0.00%) 1.999022291 - -10.019673517
119 CR(1)C26 s(100.00%)p0.00(0.00%) 1.999188699 - -10.022620734
120 CR(1)C27 s(100.00%)p0.00(0.00%) 1.999093367 - -10.014565184
121 CR(1)C28 s(100.00%) 1.999139780 - -10.156957626
122 CR(1)C29 s(100.00%)p0.00(0.00%) 1.999203979 - -10.012408833
123 CR(1)O33 s(100.00%) 1.999743475 - -18.920430589
124 CR(1)C34 s(100.00%)p0.00(0.00%) 1.999217836 - -10.100326681
125 CR(1)C35 s(100.00%)p0.00(0.00%) 1.999220797 - -10.101405098
126 CR(1)O36 s(100.00%) 1.999741416 - -18.921427253
127 LP(1)O2 s(48.01%)p1.08(51.90%)d0.00(0.09%) 1.977417526 - -0.615692503
128 LP(2)O2 s(0.06%)p99.99(99.79%)d2.47(0.15%) 1.956195671 - -0.305664999
129 LP(1)O33 s(42.72%)p1.34(57.18%)d0.00(0.10%) 1.960605562 - -0.568602764
130 LP(2)O33 s(0.10%)p99.99(99.76%)d1.41(0.14%) 1.925957728 - -0.298235561
131 LP(1)O36 s(43.06%)p1.32(56.84%)d0.00(0.10%) 1.961056018 - -0.576643870
132 LP(2)O36 s(0.25%)p99.99(99.60%)d0.58(0.15%) 1.916265416 - -0.303426910
133 RY*(1)C1 s(2.59%)p37.27(96.46%)d0.37(0.95%) 0.012091934 - 1.033142285
134 RY*(2)C1 s(16.67%)p4.75(79.20%)d0.25(4.13%) 0.003740191 - 1.211058450
135 RY*(3)C1 s(34.51%)p1.30(44.91%)d0.60(20.58%) 0.003040453 - 1.230516357
136 RY*(4)C1 s(7.79%)p6.09(47.44%)d5.75(44.77%) 0.001922389 - 2.199297327
137 RY*(5)C1 s(17.00%)p4.31(73.22%)d0.58(9.78%) 0.001198071 - 1.545663240
138 RY*(6)C1 s(27.91%)p0.57(15.80%)d2.02(56.29%) 0.001082171 - 2.050670028
139 RY*(7)C1 s(8.01%)p6.11(49.00%)d5.36(42.98%) 0.000805071 - 2.225830261
140 RY*(8)C1 s(15.24%)p3.03(46.24%)d2.53(38.52%) 0.000699702 - 2.899060794
141 RY*(9)C1 s(1.40%)p11.89(16.67%)d58.43(81.92%) 0.000525042 - 2.088113233
142 RY*(10)C1 s(15.72%)p3.60(56.61%)d1.76(27.67%) 0.000517296 - 2.098871749
143 RY*(11)C1 s(23.81%)p1.63(38.91%)d1.57(37.28%) 0.000407362 - 2.059624951
144 RY*(12)C1 s(10.39%)p0.99(10.31%)d7.64(79.30%) 0.000290022 - 2.556195766
145 RY*(13)C1 s(8.80%)p6.37(56.08%)d3.99(35.12%) 0.000260215 - 1.861430522
146 RY*(14)C1 s(4.16%)p3.66(15.22%)d19.36(80.61%) 0.000177545 - 2.036834242
147 RY*(15)C1 s(4.01%)p6.81(27.31%)d17.12(68.68%) 0.000127776 - 2.291172341
148 RY*(16)C1 s(2.03%)p11.80(23.97%)d36.44(74.00%) 0.000115475 - 3.363111115
149 RY*(17)C1 s(2.54%)p2.06(5.23%)d36.35(92.24%) 0.000077847 - 3.421193217
150 RY*(18)C1 s(4.43%)p15.03(66.63%)d6.53(28.94%) 0.000051535 - 1.734228645
151 RY*(19)C1 s(9.96%)p3.67(36.60%)d5.37(53.44%) 0.000049419 - 3.046908098
152 RY*(20)C1 s(9.95%)p5.24(52.11%)d3.81(37.95%) 0.000030670 - 5.372785211
153 RY*(21)C1 s(62.72%)p0.08(4.87%)d0.52(32.41%) 0.000024675 - 12.640770405
154 RY*(22)C1 s(10.31%)p3.64(37.58%)d5.05(52.11%) 0.000032957 - 4.908842818
155 RY*(1)O2 s(0.48%)p99.99(95.16%)d9.03(4.36%) 0.002664468 - 0.756765188
156 RY*(2)O2 s(0.37%)p99.99(85.17%)d39.40(14.47%) 0.001483112 - 1.124075217
157 RY*(3)O2 s(3.79%)p21.89(82.88%)d3.52(13.33%) 0.000457094 - 0.895608939
158 RY*(4)O2 s(78.99%)p0.14(10.77%)d0.13(10.25%) 0.000365812 - 2.197227860
159 RY*(5)O2 s(5.83%)p2.79(16.28%)d13.36(77.89%) 0.000149010 - 2.100845896
160 RY*(6)O2 s(3.55%)p9.98(35.44%)d17.18(61.01%) 0.000105810 - 2.439018254
161 RY*(7)O2 s(5.15%)p3.76(19.34%)d14.67(75.51%) 0.000080397 - 2.048081355
162 RY*(8)O2 s(10.70%)p6.17(66.05%)d2.17(23.25%) 0.000059540 - 1.889440865
163 RY*(9)O2 s(7.83%)p6.74(52.82%)d5.02(39.34%) 0.000062730 - 1.934423131
164 RY*(10)O2 s(2.32%)p18.33(42.62%)d23.68(55.05%) 0.000026903 - 1.995723610
165 RY*(11)O2 s(17.18%)p1.62(27.90%)d3.20(54.93%) 0.000036212 - 2.325388134
166 RY*(12)O2 s(6.37%)p14.29(90.97%)d0.42(2.66%) 0.000011614 - 5.262358943
167 RY*(13)O2 s(37.59%)p1.22(45.76%)d0.44(16.65%) 0.000018964 - 1.710371479
168 RY*(14)O2 s(7.75%)p3.88(30.08%)d8.02(62.17%) 0.000017870 - 2.305849478
169 RY*(15)O2 s(99.28%)p0.01(0.69%)d0.00(0.03%) 0.000000105 - 48.862399043
170 RY*(16)O2 s(0.12%)p32.14(3.84%)d99.99(96.04%) 0.000001064 - 6.161142713
171 RY*(17)O2 s(1.05%)p93.74(98.44%)d0.48(0.51%) 0.000001787 - 5.083060041
172 RY*(18)O2 s(0.03%)p99.99(10.14%)d99.99(89.83%) 0.000002920 - 5.691558335
173 RY*(19)O2 s(11.42%)p7.30(83.30%)d0.46(5.29%) 0.000005858 - 4.769773514
174 RY*(20)O2 s(0.02%)p30.75(0.49%)d99.99(99.50%) 0.000000933 - 6.873056173
175 RY*(21)O2 s(0.20%)p1.55(0.31%)d99.99(99.49%) 0.000000480 - 6.767350782
176 RY*(22)O2 s(0.08%)p26.94(2.20%)d99.99(97.72%) 0.000001128 - 6.878568241
177 RY*(1)H3 s(7.34%)p12.63(92.66%) 0.000874071 - 2.057906663
178 RY*(2)H3 s(68.92%)p0.45(31.08%) 0.000718277 - 2.178821428
179 RY*(3)H3 s(38.97%)p1.57(61.03%) 0.000300124 - 1.927610040
180 RY*(4)H3 s(73.18%)p0.37(26.82%) 0.000177470 - 1.775856998
181 RY*(5)H3 s(11.65%)p7.58(88.35%) 0.000011229 - 2.534587339
182 RY*(1)C4 s(9.95%)p8.47(84.27%)d0.58(5.79%) 0.007869057 - 1.356889674
183 RY*(2)C4 s(0.16%)p99.99(96.59%)d19.97(3.25%) 0.004587697 - 1.097409080
184 RY*(3)C4 s(11.74%)p6.98(81.93%)d0.54(6.32%) 0.003646554 - 0.978767924
185 RY*(4)C4 s(25.33%)p1.98(50.13%)d0.97(24.54%) 0.001609419 - 1.099542399
186 RY*(5)C4 s(5.28%)p15.16(80.08%)d2.77(14.64%) 0.001162688 - 1.258740946
187 RY*(6)C4 s(42.64%)p0.81(34.33%)d0.54(23.03%) 0.001051233 - 1.480581414
188 RY*(7)C4 s(61.30%)p0.45(27.28%)d0.19(11.42%) 0.000895590 - 1.473185365
189 RY*(8)C4 s(6.63%)p3.28(21.71%)d10.81(71.67%) 0.000673508 - 2.933290845
190 RY*(9)C4 s(19.59%)p3.39(66.36%)d0.72(14.05%) 0.000581474 - 1.313662073
191 RY*(10)C4 s(0.93%)p16.95(15.73%)d89.76(83.34%) 0.000373938 - 2.597090504
192 RY*(11)C4 s(1.90%)p5.86(11.11%)d45.89(87.00%) 0.000322229 - 2.057685660
193 RY*(12)C4 s(1.97%)p16.06(31.70%)d33.61(66.33%) 0.000213714 - 2.487718144
194 RY*(13)C4 s(6.28%)p1.53(9.58%)d13.41(84.14%) 0.000211140 - 2.618863968
195 RY*(14)C4 s(2.12%)p16.43(34.90%)d29.64(62.98%) 0.000162166 - 2.562504422
196 RY*(15)C4 s(3.35%)p3.29(11.05%)d25.53(85.60%) 0.000079668 - 3.395808323
197 RY*(16)C4 s(0.25%)p99.99(30.99%)d99.99(68.76%) 0.000050711 - 3.344758767
198 RY*(17)C4 s(2.08%)p21.57(44.79%)d25.59(53.14%) 0.000037887 - 3.703410308
199 RY*(18)C4 s(1.51%)p5.21(7.84%)d60.17(90.65%) 0.000044469 - 2.067664581
200 RY*(19)C4 s(1.09%)p80.36(87.59%)d10.39(11.32%) 0.000006326 - 3.073272589
201 RY*(20)C4 s(92.20%)p0.01(1.28%)d0.07(6.52%) 0.000008108 - 19.518897250
202 RY*(21)C4 s(3.64%)p19.30(70.16%)d7.21(26.21%) 0.000010912 - 3.114749597
203 RY*(22)C4 s(0.16%)p4.83(0.77%)d99.99(99.08%) 0.000004293 - 3.530279604
204 RY*(1)C5 s(0.12%)p99.99(90.39%)d78.42(9.49%) 0.005899869 - 1.364062856
205 RY*(2)C5 s(0.91%)p99.99(96.45%)d2.90(2.64%) 0.001827076 - 1.461454727
206 RY*(3)C5 s(0.26%)p99.99(78.94%)d79.46(20.80%) 0.001321530 - 0.673900799
207 RY*(4)C5 s(40.25%)p0.28(11.46%)d1.20(48.29%) 0.000797484 - 1.995591323
208 RY*(5)C5 s(1.42%)p24.81(35.25%)d44.56(63.32%) 0.000562939 - 1.864558300
209 RY*(6)C5 s(11.81%)p3.22(37.99%)d4.25(50.21%) 0.000424782 - 1.962827524
210 RY*(7)C5 s(38.01%)p0.25(9.43%)d1.38(52.56%) 0.000235817 - 1.338448239
211 RY*(8)C5 s(2.34%)p1.32(3.08%)d40.41(94.58%) 0.000162556 - 2.306733005
212 RY*(9)C5 s(17.98%)p3.85(69.15%)d0.72(12.88%) 0.000117427 - 2.454987518
213 RY*(10)C5 s(1.94%)p26.43(51.36%)d24.03(46.70%) 0.000080726 - 1.272809891
214 RY*(11)C5 s(2.90%)p7.68(22.28%)d25.79(74.82%) 0.000056145 - 3.128440022
215 RY*(12)C5 s(3.05%)p8.64(26.36%)d23.15(70.59%) 0.000041575 - 3.145001043
216 RY*(13)C5 s(6.09%)p9.47(57.63%)d5.96(36.28%) 0.000029585 - 2.195669691
217 RY*(14)C5 s(3.24%)p5.77(18.70%)d24.10(78.06%) 0.000026819 - 2.147150741
218 RY*(15)C5 s(3.99%)p13.28(52.99%)d10.79(43.02%) 0.000025376 - 2.637723280
219 RY*(16)C5 s(0.30%)p67.94(20.54%)d99.99(79.16%) 0.000003728 - 3.053397551
220 RY*(17)C5 s(67.09%)p0.34(23.05%)d0.15(9.86%) 0.000006969 - 1.874195431
221 RY*(18)C5 s(2.34%)p9.01(21.06%)d32.76(76.60%) 0.000007239 - 3.252030798
222 RY*(19)C5 s(88.83%)p0.10(9.11%)d0.02(2.06%) 0.000002784 - 18.208822131
223 RY*(20)C5 s(0.64%)p81.85(52.44%)d73.23(46.92%) 0.000007427 - 1.560950857
224 RY*(21)C5 s(5.70%)p13.83(78.82%)d2.71(15.48%) 0.000005781 - 2.829379468
225 RY*(22)C5 s(0.93%)p36.22(33.66%)d70.38(65.41%) 0.000006797 - 3.154252974
226 RY*(1)C6 s(0.66%)p99.99(89.41%)d15.04(9.93%) 0.006717517 - 1.248243498
227 RY*(2)C6 s(0.15%)p99.99(99.76%)d0.66(0.10%) 0.002110451 - 1.305457378
228 RY*(3)C6 s(0.08%)p99.99(84.59%)d99.99(15.33%) 0.001222148 - 0.445623663
229 RY*(4)C6 s(56.63%)p0.07(3.79%)d0.70(39.58%) 0.000808952 - 1.917248539
230 RY*(5)C6 s(2.23%)p15.30(34.13%)d28.53(63.64%) 0.000489342 - 1.946659816
231 RY*(6)C6 s(0.78%)p4.43(3.46%)d99.99(95.76%) 0.000387469 - 2.810385249
232 RY*(7)C6 s(14.39%)p0.50(7.26%)d5.44(78.35%) 0.000130923 - 2.065720533
233 RY*(8)C6 s(28.50%)p1.66(47.36%)d0.85(24.14%) 0.000107810 - 3.451723344
234 RY*(9)C6 s(16.62%)p4.37(72.59%)d0.65(10.79%) 0.000060538 - 1.413492142
235 RY*(10)C6 s(30.23%)p0.27(8.09%)d2.04(61.68%) 0.000064891 - 2.204715155
236 RY*(11)C6 s(6.11%)p3.01(18.38%)d12.35(75.50%) 0.000031267 - 2.241021301
237 RY*(12)C6 s(1.03%)p38.86(40.12%)d56.99(58.85%) 0.000028589 - 2.649049920
238 RY*(13)C6 s(5.13%)p2.30(11.80%)d16.21(83.07%) 0.000023401 - 2.693813539
239 RY*(14)C6 s(26.43%)p2.27(59.91%)d0.52(13.66%) 0.000011854 - 1.448869506
240 RY*(15)C6 s(20.40%)p3.57(72.79%)d0.33(6.82%) 0.000013930 - 1.792809812
241 RY*(16)C6 s(0.39%)p95.92(37.16%)d99.99(62.45%) 0.000007191 - 1.864697033
242 RY*(17)C6 s(74.59%)p0.12(9.08%)d0.22(16.33%) 0.000001076 - 16.391994847
243 RY*(18)C6 s(7.98%)p0.89(7.08%)d10.65(84.95%) 0.000002207 - 4.381599101
244 RY*(19)C6 s(3.46%)p23.67(81.86%)d4.24(14.68%) 0.000002530 - 2.622217222
245 RY*(20)C6 s(2.52%)p32.52(81.89%)d6.19(15.59%) 0.000003875 - 3.077538706
246 RY*(21)C6 s(1.65%)p17.68(29.22%)d41.83(69.13%) 0.000005115 - 1.539093646
247 RY*(22)C6 s(0.19%)p2.06(0.40%)d99.99(99.41%) 0.000000659 - 3.065490136
248 RY*(1)C7 s(1.13%)p79.05(89.18%)d8.59(9.69%) 0.006273436 - 1.282568269
249 RY*(2)C7 s(0.00%)p1.00(99.67%)d0.00(0.33%) 0.002166096 - 1.325796249
250 RY*(3)C7 s(0.00%)p1.00(84.52%)d0.18(15.48%) 0.001218494 - 0.408920052
251 RY*(4)C7 s(48.63%)p0.05(2.31%)d1.01(49.07%) 0.000797306 - 1.892300807
252 RY*(5)C7 s(0.06%)p99.99(52.00%)d99.99(47.94%) 0.000613392 - 1.463723936
253 RY*(6)C7 s(0.01%)p62.18(0.74%)d99.99(99.25%) 0.000369662 - 3.008148135
254 RY*(7)C7 s(30.94%)p0.21(6.48%)d2.02(62.58%) 0.000131610 - 1.451254369
255 RY*(8)C7 s(37.22%)p0.83(31.08%)d0.85(31.70%) 0.000108783 - 3.708305529
256 RY*(9)C7 s(2.78%)p29.26(81.39%)d5.69(15.82%) 0.000061397 - 2.290756212
257 RY*(10)C7 s(14.78%)p0.52(7.70%)d5.24(77.52%) 0.000039071 - 2.960164826
258 RY*(11)C7 s(17.86%)p0.67(11.99%)d3.93(70.15%) 0.000027097 - 2.122889335
259 RY*(12)C7 s(30.67%)p0.71(21.92%)d1.55(47.41%) 0.000023387 - 2.562992781
260 RY*(13)C7 s(2.56%)p28.94(74.05%)d9.14(23.40%) 0.000005579 - 2.660998206
261 RY*(14)C7 s(5.67%)p8.09(45.85%)d8.56(48.49%) 0.000007628 - 3.411920005
262 RY*(15)C7 s(88.93%)p0.02(1.75%)d0.10(9.32%) 0.000001693 - 18.689298266
263 RY*(16)C7 s(0.17%)p99.99(50.72%)d99.99(49.11%) 0.000005168 - 1.501159705
264 RY*(17)C7 s(0.18%)p99.99(36.48%)d99.99(63.34%) 0.000003763 - 1.945957002
265 RY*(18)C7 s(0.50%)p22.67(11.34%)d99.99(88.16%) 0.000001375 - 2.986722996
266 RY*(19)C7 s(1.02%)p36.29(37.15%)d60.40(61.83%) 0.000003241 - 1.595912204
267 RY*(20)C7 s(13.37%)p4.72(63.03%)d1.77(23.60%) 0.000004245 - 1.256832521
268 RY*(21)C7 s(3.45%)p24.77(85.56%)d3.18(10.98%) 0.000003529 - 2.383146619
269 RY*(22)C7 s(0.20%)p25.99(5.27%)d99.99(94.53%) 0.000002233 - 1.512712188
270 RY*(1)C8 s(0.56%)p99.99(88.80%)d19.06(10.64%) 0.006512393 - 1.255433803
271 RY*(2)C8 s(0.17%)p99.99(99.78%)d0.28(0.05%) 0.002126913 - 1.327005358
272 RY*(3)C8 s(0.34%)p99.99(84.52%)d43.96(15.14%) 0.001136129 - 0.432264996
273 RY*(4)C8 s(56.03%)p0.08(4.69%)d0.70(39.28%) 0.000771948 - 1.968719399
274 RY*(5)C8 s(2.03%)p16.96(34.50%)d31.20(63.47%) 0.000471936 - 1.931510177
275 RY*(6)C8 s(0.11%)p67.47(7.11%)d99.99(92.79%) 0.000396348 - 2.638644955
276 RY*(7)C8 s(10.82%)p0.87(9.37%)d7.37(79.80%) 0.000131567 - 2.341331800
277 RY*(8)C8 s(26.06%)p1.42(37.11%)d1.41(36.83%) 0.000107046 - 3.110395498
278 RY*(9)C8 s(1.72%)p34.57(59.50%)d22.54(38.78%) 0.000074486 - 1.853046628
279 RY*(10)C8 s(5.85%)p5.38(31.48%)d10.71(62.67%) 0.000045905 - 2.216972493
280 RY*(11)C8 s(38.97%)p0.54(20.91%)d1.03(40.12%) 0.000049516 - 1.544386200
281 RY*(12)C8 s(0.81%)p98.32(79.93%)d23.68(19.25%) 0.000024924 - 1.294082476
282 RY*(13)C8 s(3.99%)p9.06(36.15%)d15.00(59.86%) 0.000032985 - 2.745725702
283 RY*(14)C8 s(8.49%)p3.76(31.95%)d7.02(59.57%) 0.000003910 - 2.533650343
284 RY*(15)C8 s(4.54%)p18.13(82.33%)d2.89(13.13%) 0.000006134 - 2.908376087
285 RY*(16)C8 s(0.58%)p26.55(15.52%)d99.99(83.89%) 0.000006200 - 2.781455958
286 RY*(17)C8 s(89.97%)p0.02(1.91%)d0.09(8.13%) 0.000001139 - 19.057223590
287 RY*(18)C8 s(0.85%)p11.96(10.15%)d99.99(89.01%) 0.000002370 - 3.181554841
288 RY*(19)C8 s(45.09%)p0.70(31.43%)d0.52(23.48%) 0.000005788 - 1.004800580
289 RY*(20)C8 s(0.73%)p99.99(86.16%)d18.06(13.11%) 0.000001734 - 2.705998897
290 RY*(21)C8 s(1.98%)p12.33(24.42%)d37.15(73.60%) 0.000003454 - 1.819386834
291 RY*(22)C8 s(0.44%)p51.26(22.45%)d99.99(77.12%) 0.000009377 - 1.906907804
292 RY*(1)C9 s(0.04%)p99.99(92.10%)d99.99(7.86%) 0.006502352 - 1.348917680
293 RY*(2)C9 s(0.06%)p99.99(95.00%)d87.12(4.95%) 0.002535499 - 1.087059288
294 RY*(3)C9 s(0.74%)p99.99(78.92%)d27.49(20.34%) 0.001083557 - 0.815254173
295 RY*(4)C9 s(55.01%)p0.10(5.61%)d0.72(39.38%) 0.000795085 - 1.804486967
296 RY*(5)C9 s(3.85%)p9.78(37.66%)d15.19(58.49%) 0.000501085 - 2.344234067
297 RY*(6)C9 s(1.92%)p20.70(39.66%)d30.50(58.42%) 0.000450011 - 2.114228631
298 RY*(7)C9 s(27.43%)p0.31(8.48%)d2.34(64.09%) 0.000294077 - 1.602959505
299 RY*(8)C9 s(4.25%)p8.91(37.88%)d13.61(57.87%) 0.000189853 - 2.213999134
300 RY*(9)C9 s(2.65%)p17.21(45.69%)d19.46(51.65%) 0.000104066 - 2.074671250
301 RY*(10)C9 s(9.19%)p2.08(19.08%)d7.81(71.73%) 0.000055902 - 2.734086546
302 RY*(11)C9 s(2.00%)p17.23(34.50%)d31.72(63.50%) 0.000050551 - 2.696878690
303 RY*(12)C9 s(6.42%)p5.38(34.54%)d9.19(59.04%) 0.000056544 - 1.470322999
304 RY*(13)C9 s(2.90%)p9.60(27.89%)d23.83(69.20%) 0.000018415 - 2.213707329
305 RY*(14)C9 s(4.82%)p14.61(70.41%)d5.14(24.77%) 0.000022961 - 2.168516757
306 RY*(15)C9 s(3.40%)p19.12(65.08%)d9.26(31.51%) 0.000022161 - 1.083531428
307 RY*(16)C9 s(72.67%)p0.23(16.83%)d0.14(10.50%) 0.000002880 - 3.530489692
308 RY*(17)C9 s(1.22%)p62.79(76.30%)d18.50(22.49%) 0.000006224 - 2.795444664
309 RY*(18)C9 s(95.47%)p0.02(1.54%)d0.03(2.99%) 0.000003176 - 17.577103296
310 RY*(19)C9 s(2.83%)p30.70(87.01%)d3.59(10.16%) 0.000009417 - 2.837193129
311 RY*(20)C9 s(0.34%)p44.45(15.06%)d99.99(84.60%) 0.000012531 - 2.757137748
312 RY*(21)C9 s(2.82%)p3.42(9.62%)d31.09(87.56%) 0.000003030 - 3.351878448
313 RY*(22)C9 s(0.11%)p11.42(1.28%)d99.99(98.61%) 0.000000934 - 3.415168236
314 RY*(1)H10 s(98.76%)p0.01(1.24%) 0.000646028 - 1.722478761
315 RY*(2)H10 s(18.53%)p4.40(81.47%) 0.000214883 - 1.912373649
316 RY*(3)H10 s(62.16%)p0.61(37.84%) 0.000153487 - 1.917185573
317 RY*(4)H10 s(0.79%)p99.99(99.21%) 0.000052165 - 2.840130085
318 RY*(5)H10 s(19.80%)p4.05(80.20%) 0.000050206 - 2.412300752
319 RY*(1)H11 s(99.35%)p0.01(0.65%) 0.000544793 - 1.141956279
320 RY*(2)H11 s(5.09%)p18.65(94.91%) 0.000212311 - 1.932696739
321 RY*(3)H11 s(89.17%)p0.12(10.83%) 0.000165241 - 2.104459163
322 RY*(4)H11 s(3.58%)p26.92(96.42%) 0.000051214 - 2.624571146
323 RY*(5)H11 s(2.84%)p34.19(97.16%) 0.000047489 - 2.675903293
324 RY*(1)H12 s(98.74%)p0.01(1.26%) 0.000445444 - 1.175564916
325 RY*(2)H12 s(0.62%)p99.99(99.38%) 0.000218458 - 1.923107326
326 RY*(3)H12 s(93.07%)p0.07(6.93%) 0.000170755 - 2.117631211
327 RY*(4)H12 s(5.43%)p17.43(94.57%) 0.000043506 - 2.634631142
328 RY*(5)H12 s(2.19%)p44.66(97.81%) 0.000047921 - 2.591857235
329 RY*(1)H13 s(99.25%)p0.01(0.75%) 0.000546910 - 1.165675685
330 RY*(2)H13 s(1.36%)p72.68(98.64%) 0.000213770 - 1.923199493
331 RY*(3)H13 s(93.52%)p0.07(6.48%) 0.000161147 - 2.102763922
332 RY*(4)H13 s(4.40%)p21.72(95.60%) 0.000046419 - 2.700396291
333 RY*(5)H13 s(1.51%)p65.12(98.49%) 0.000052706 - 2.602086876
334 RY*(1)H14 s(99.62%)p0.00(0.38%) 0.000634012 - 1.621094169
335 RY*(2)H14 s(4.38%)p21.84(95.62%) 0.000229196 - 1.969926965
336 RY*(3)H14 s(83.44%)p0.20(16.56%) 0.000146989 - 1.847897636
337 RY*(4)H14 s(12.15%)p7.23(87.85%) 0.000051527 - 2.558114137
338 RY*(5)H14 s(0.44%)p99.99(99.56%) 0.000053881 - 2.783830596
339 RY*(1)C15 s(7.88%)p11.01(86.78%)d0.68(5.34%) 0.008224081 - 1.243984119
340 RY*(2)C15 s(6.21%)p14.56(90.40%)d0.55(3.40%) 0.004921694 - 1.181653069
341 RY*(3)C15 s(0.47%)p99.99(96.28%)d6.94(3.25%) 0.003175606 - 0.786531919
342 RY*(4)C15 s(49.74%)p0.94(46.72%)d0.07(3.54%) 0.002138346 - 0.979519844
343 RY*(5)C15 s(41.47%)p0.87(36.18%)d0.54(22.36%) 0.001313179 - 1.959482526
344 RY*(6)C15 s(18.46%)p3.60(66.44%)d0.82(15.09%) 0.001159871 - 1.001777086
345 RY*(7)C15 s(51.57%)p0.54(27.92%)d0.40(20.51%) 0.000944172 - 1.468707000
346 RY*(8)C15 s(3.39%)p22.06(74.70%)d6.47(21.92%) 0.000742838 - 1.119827566
347 RY*(9)C15 s(2.54%)p5.95(15.09%)d32.46(82.37%) 0.000541381 - 3.179441713
348 RY*(10)C15 s(1.16%)p13.14(15.25%)d72.01(83.59%) 0.000419968 - 2.764294889
349 RY*(11)C15 s(2.87%)p7.65(21.97%)d26.16(75.15%) 0.000327120 - 1.912297925
350 RY*(12)C15 s(5.74%)p4.34(24.89%)d12.09(69.37%) 0.000284441 - 1.741937991
351 RY*(13)C15 s(3.22%)p5.10(16.42%)d24.95(80.36%) 0.000159741 - 3.017467011
352 RY*(14)C15 s(1.53%)p29.32(44.94%)d34.92(53.53%) 0.000107063 - 2.925600368
353 RY*(15)C15 s(0.82%)p9.48(7.81%)d99.99(91.36%) 0.000088752 - 2.780609383
354 RY*(16)C15 s(2.96%)p1.67(4.94%)d31.14(92.10%) 0.000095697 - 2.828047133
355 RY*(17)C15 s(1.17%)p9.81(11.46%)d74.79(87.38%) 0.000046183 - 2.855006179
356 RY*(18)C15 s(7.57%)p5.23(39.59%)d6.98(52.84%) 0.000054177 - 4.730893654
357 RY*(19)C15 s(84.27%)p0.04(3.42%)d0.15(12.32%) 0.000021068 - 17.888240749
358 RY*(20)C15 s(4.54%)p15.68(71.20%)d5.34(24.26%) 0.000028572 - 3.055883760
359 RY*(21)C15 s(0.29%)p99.99(96.02%)d12.69(3.69%) 0.000008681 - 2.996466918
360 RY*(22)C15 s(2.23%)p0.78(1.74%)d43.04(96.03%) 0.000005094 - 3.660384539
361 RY*(1)C16 s(0.05%)p99.99(91.84%)d99.99(8.11%) 0.006557299 - 1.382190333
362 RY*(2)C16 s(0.09%)p99.99(95.57%)d48.70(4.34%) 0.002583338 - 1.131572110
363 RY*(3)C16 s(0.09%)p99.99(80.27%)d99.99(19.65%) 0.001249804 - 0.689940103
364 RY*(4)C16 s(52.64%)p0.12(6.34%)d0.78(41.02%) 0.000774729 - 2.002238773
365 RY*(5)C16 s(0.04%)p99.99(36.36%)d99.99(63.60%) 0.000489232 - 1.955541912
366 RY*(6)C16 s(12.46%)p3.21(39.99%)d3.82(47.55%) 0.000399013 - 2.539761575
367 RY*(7)C16 s(19.79%)p0.39(7.68%)d3.66(72.53%) 0.000282366 - 1.981344920
368 RY*(8)C16 s(12.06%)p1.43(17.29%)d5.86(70.65%) 0.000186885 - 2.030047826
369 RY*(9)C16 s(8.05%)p5.28(42.50%)d6.15(49.45%) 0.000087451 - 2.483469920
370 RY*(10)C16 s(0.86%)p75.01(64.34%)d40.58(34.81%) 0.000040796 - 1.943278848
371 RY*(11)C16 s(1.07%)p36.75(39.49%)d55.32(59.44%) 0.000027919 - 1.985064891
372 RY*(12)C16 s(5.54%)p7.78(43.12%)d9.26(51.34%) 0.000037910 - 3.371657672
373 RY*(13)C16 s(0.43%)p44.79(19.32%)d99.99(80.25%) 0.000033551 - 1.697199048
374 RY*(14)C16 s(0.93%)p19.96(18.64%)d86.10(80.42%) 0.000014079 - 2.467836013
375 RY*(15)C16 s(94.29%)p0.03(3.19%)d0.03(2.52%) 0.000004775 - 13.462314833
376 RY*(16)C16 s(0.22%)p99.99(71.22%)d99.99(28.56%) 0.000011817 - 2.908125897
377 RY*(17)C16 s(0.08%)p7.28(0.60%)d99.99(99.32%) 0.000000539 - 3.410929249
378 RY*(18)C16 s(75.38%)p0.30(22.74%)d0.02(1.88%) 0.000004914 - 5.889929222
379 RY*(19)C16 s(11.11%)p7.13(79.19%)d0.87(9.70%) 0.000007497 - 3.686737214
380 RY*(20)C16 s(0.28%)p69.77(19.42%)d99.99(80.30%) 0.000008247 - 2.940600752
381 RY*(21)C16 s(3.95%)p14.90(58.87%)d9.41(37.18%) 0.000010419 - 2.301458599
382 RY*(22)C16 s(0.73%)p57.83(42.19%)d78.23(57.08%) 0.000009005 - 1.968612151
383 RY*(1)C17 s(0.51%)p99.99(89.05%)d20.54(10.44%) 0.006433340 - 1.265330134
384 RY*(2)C17 s(0.25%)p99.99(99.69%)d0.22(0.06%) 0.002120078 - 1.319793485
385 RY*(3)C17 s(0.15%)p99.99(83.74%)d99.99(16.11%) 0.001167072 - 0.446753191
386 RY*(4)C17 s(55.73%)p0.05(2.76%)d0.74(41.51%) 0.000757903 - 1.975899910
387 RY*(5)C17 s(1.17%)p30.12(35.32%)d54.16(63.51%) 0.000478894 - 1.954142282
388 RY*(6)C17 s(0.29%)p27.78(8.05%)d99.99(91.66%) 0.000412287 - 2.738222581
389 RY*(7)C17 s(15.65%)p0.48(7.46%)d4.91(76.89%) 0.000135141 - 1.970189443
390 RY*(8)C17 s(15.16%)p2.29(34.69%)d3.31(50.16%) 0.000075878 - 2.511850659
391 RY*(9)C17 s(12.82%)p5.52(70.84%)d1.27(16.34%) 0.000084329 - 4.071048578
392 RY*(10)C17 s(17.35%)p0.90(15.69%)d3.86(66.97%) 0.000042097 - 2.708007796
393 RY*(11)C17 s(0.40%)p99.99(90.36%)d23.23(9.24%) 0.000044518 - 0.896531048
394 RY*(12)C17 s(0.76%)p26.04(19.78%)d99.99(79.46%) 0.000024200 - 1.359029009
395 RY*(13)C17 s(2.99%)p3.96(11.83%)d28.49(85.18%) 0.000018283 - 2.983869030
396 RY*(14)C17 s(68.95%)p0.09(6.27%)d0.36(24.78%) 0.000010088 - 1.120719891
397 RY*(15)C17 s(0.41%)p99.99(68.00%)d77.16(31.59%) 0.000003510 - 1.375847872
398 RY*(16)C17 s(0.88%)p5.64(4.96%)d99.99(94.16%) 0.000001743 - 2.159964368
399 RY*(17)C17 s(84.93%)p0.09(7.31%)d0.09(7.76%) 0.000001353 - 18.255741910
400 RY*(18)C17 s(0.38%)p99.99(80.97%)d49.74(18.66%) 0.000001432 - 2.751480715
401 RY*(19)C17 s(0.52%)p39.95(20.95%)d99.99(78.52%) 0.000001186 - 2.637432671
402 RY*(20)C17 s(0.61%)p5.82(3.55%)d99.99(95.84%) 0.000003100 - 3.542440013
403 RY*(21)C17 s(4.34%)p16.16(70.20%)d5.86(25.46%) 0.000009952 - 1.890251863
404 RY*(22)C17 s(15.89%)p4.32(68.68%)d0.97(15.44%) 0.000010506 - 2.900460573
405 RY*(1)C18 s(1.04%)p85.41(89.24%)d9.30(9.72%) 0.006279186 - 1.280791122
406 RY*(2)C18 s(0.01%)p99.99(99.58%)d29.35(0.41%) 0.002183542 - 1.338270750
407 RY*(3)C18 s(0.12%)p99.99(84.81%)d99.99(15.07%) 0.001289936 - 0.413192865
408 RY*(4)C18 s(49.41%)p0.06(2.75%)d0.97(47.85%) 0.000814166 - 1.878644468
409 RY*(5)C18 s(0.19%)p99.99(47.96%)d99.99(51.85%) 0.000590136 - 1.575598104
410 RY*(6)C18 s(0.06%)p52.56(3.23%)d99.99(96.70%) 0.000373469 - 2.972852566
411 RY*(7)C18 s(33.48%)p0.30(10.15%)d1.68(56.37%) 0.000131301 - 1.558960889
412 RY*(8)C18 s(24.88%)p1.17(28.99%)d1.85(46.13%) 0.000107134 - 3.898298082
413 RY*(9)C18 s(3.63%)p18.02(65.44%)d8.52(30.93%) 0.000050990 - 2.755353414
414 RY*(10)C18 s(10.41%)p2.02(21.01%)d6.59(68.58%) 0.000031102 - 2.419578416
415 RY*(11)C18 s(19.50%)p3.37(65.63%)d0.76(14.88%) 0.000029929 - 0.945288003
416 RY*(12)C18 s(42.58%)p0.88(37.55%)d0.47(19.86%) 0.000007221 - 2.763413394
417 RY*(13)C18 s(1.38%)p11.18(15.46%)d60.18(83.16%) 0.000002971 - 1.519302251
418 RY*(14)C18 s(4.09%)p8.92(36.49%)d14.52(59.41%) 0.000011522 - 1.935020218
419 RY*(15)C18 s(9.21%)p9.28(85.44%)d0.58(5.35%) 0.000006262 - 2.655759544
420 RY*(16)C18 s(0.09%)p50.53(4.74%)d99.99(95.16%) 0.000001302 - 1.467655452
421 RY*(17)C18 s(5.43%)p10.17(55.17%)d7.26(39.40%) 0.000009902 - 2.007856145
422 RY*(18)C18 s(0.53%)p99.99(98.12%)d2.53(1.35%) 0.000000958 - 2.764067823
423 RY*(19)C18 s(0.19%)p24.76(4.77%)d99.99(95.03%) 0.000000842 - 2.830988380
424 RY*(20)C18 s(0.59%)p19.85(11.75%)d99.99(87.65%) 0.000004973 - 3.174213706
425 RY*(21)C18 s(91.73%)p0.05(4.56%)d0.04(3.72%) 0.000002446 - 17.769974627
426 RY*(22)C18 s(1.57%)p17.37(27.32%)d45.21(71.11%) 0.000010036 - 2.629569527
427 RY*(1)C19 s(0.51%)p99.99(89.58%)d19.63(9.91%) 0.006460057 - 1.257404730
428 RY*(2)C19 s(0.36%)p99.99(99.60%)d0.11(0.04%) 0.002139971 - 1.297838487
429 RY*(3)C19 s(0.00%)p1.00(84.42%)d0.18(15.57%) 0.001312239 - 0.446955784
430 RY*(4)C19 s(54.57%)p0.08(4.17%)d0.76(41.27%) 0.000766702 - 2.020304785
431 RY*(5)C19 s(0.02%)p99.99(6.64%)d99.99(93.34%) 0.000397219 - 2.730183108
432 RY*(6)C19 s(6.86%)p4.83(33.09%)d8.76(60.05%) 0.000406206 - 1.961838027
433 RY*(7)C19 s(12.44%)p0.47(5.85%)d6.57(81.71%) 0.000143935 - 2.153199584
434 RY*(8)C19 s(20.41%)p2.25(45.89%)d1.65(33.70%) 0.000091878 - 3.623268516
435 RY*(9)C19 s(2.49%)p35.23(87.72%)d3.93(9.79%) 0.000049102 - 1.163783024
436 RY*(10)C19 s(3.96%)p14.12(55.95%)d10.12(40.09%) 0.000043641 - 3.215306023
437 RY*(11)C19 s(26.48%)p1.79(47.45%)d0.98(26.07%) 0.000046974 - 1.460917624
438 RY*(12)C19 s(28.85%)p0.55(15.83%)d1.92(55.31%) 0.000049879 - 1.773013223
439 RY*(13)C19 s(4.10%)p7.31(29.97%)d16.08(65.93%) 0.000017799 - 3.535891916
440 RY*(14)C19 s(0.74%)p4.25(3.16%)d99.99(96.10%) 0.000004091 - 2.119456649
441 RY*(15)C19 s(0.05%)p99.99(15.22%)d99.99(84.73%) 0.000007925 - 1.394460891
442 RY*(16)C19 s(0.09%)p30.62(2.64%)d99.99(97.28%) 0.000002930 - 2.899715682
443 RY*(17)C19 s(0.28%)p99.99(59.78%)d99.99(39.95%) 0.000008211 - 1.677003053
444 RY*(18)C19 s(0.39%)p99.99(93.19%)d16.45(6.42%) 0.000002984 - 2.678265211
445 RY*(19)C19 s(43.78%)p1.12(49.14%)d0.16(7.07%) 0.000009043 - 1.044442216
446 RY*(20)C19 s(2.95%)p1.30(3.82%)d31.60(93.23%) 0.000002145 - 3.204112979
447 RY*(21)C19 s(7.25%)p8.85(64.14%)d3.95(28.61%) 0.000004359 - 3.244757795
448 RY*(22)C19 s(83.57%)p0.03(2.89%)d0.16(13.55%) 0.000002118 - 17.803048884
449 RY*(1)C20 s(0.17%)p99.99(90.60%)d53.91(9.22%) 0.005797611 - 1.438827873
450 RY*(2)C20 s(0.65%)p99.99(96.56%)d4.31(2.79%) 0.001904346 - 1.300768909
451 RY*(3)C20 s(0.13%)p99.99(77.90%)d99.99(21.97%) 0.001148019 - 0.800482894
452 RY*(4)C20 s(52.07%)p0.15(7.65%)d0.77(40.28%) 0.000881241 - 1.913703443
453 RY*(5)C20 s(0.02%)p99.99(51.94%)d99.99(48.04%) 0.000568180 - 1.700309982
454 RY*(6)C20 s(5.47%)p7.00(38.26%)d10.29(56.27%) 0.000466890 - 2.396894056
455 RY*(7)C20 s(34.60%)p0.23(7.85%)d1.66(57.55%) 0.000258932 - 1.689384038
456 RY*(8)C20 s(2.35%)p4.73(11.10%)d36.86(86.55%) 0.000171313 - 2.185015974
457 RY*(9)C20 s(0.76%)p47.17(35.79%)d83.65(63.46%) 0.000089272 - 1.587200664
458 RY*(10)C20 s(11.51%)p5.95(68.49%)d1.74(20.01%) 0.000094959 - 1.836676964
459 RY*(11)C20 s(3.73%)p2.14(7.98%)d23.66(88.29%) 0.000056177 - 3.156918448
460 RY*(12)C20 s(5.76%)p2.97(17.09%)d13.39(77.15%) 0.000027191 - 3.271050718
461 RY*(13)C20 s(4.57%)p16.43(75.16%)d4.43(20.26%) 0.000025554 - 2.471236590
462 RY*(14)C20 s(5.67%)p7.23(41.03%)d9.40(53.30%) 0.000023618 - 1.245517571
463 RY*(15)C20 s(6.76%)p8.87(60.00%)d4.92(33.24%) 0.000028565 - 1.729720235
464 RY*(16)C20 s(0.20%)p61.38(12.25%)d99.99(87.55%) 0.000006081 - 2.994947795
465 RY*(17)C20 s(50.45%)p0.65(32.63%)d0.34(16.92%) 0.000008842 - 2.436310040
466 RY*(18)C20 s(92.09%)p0.04(3.67%)d0.05(4.24%) 0.000002692 - 19.538477333
467 RY*(19)C20 s(20.59%)p3.16(65.16%)d0.69(14.26%) 0.000008779 - 1.573123440
468 RY*(20)C20 s(0.60%)p14.51(8.69%)d99.99(90.71%) 0.000004832 - 3.317519779
469 RY*(21)C20 s(0.56%)p14.34(8.01%)d99.99(91.43%) 0.000005376 - 3.078742078
470 RY*(22)C20 s(1.45%)p56.88(82.32%)d11.22(16.24%) 0.000008758 - 2.756749898
471 RY*(1)H21 s(98.85%)p0.01(1.15%) 0.001371043 - 0.741636173
472 RY*(2)H21 s(91.89%)p0.09(8.11%) 0.000253445 - 2.459844363
473 RY*(3)H21 s(2.97%)p32.62(97.03%) 0.000212414 - 1.997295598
474 RY*(4)H21 s(0.81%)p99.99(99.19%) 0.000044589 - 2.849341909
475 RY*(5)H21 s(5.51%)p17.14(94.49%) 0.000053556 - 2.751653432
476 RY*(1)H22 s(99.65%)p0.00(0.35%) 0.000572222 - 1.154877025
477 RY*(2)H22 s(1.35%)p72.87(98.65%) 0.000212160 - 1.930683060
478 RY*(3)H22 s(95.31%)p0.05(4.69%) 0.000161543 - 2.076570759
479 RY*(4)H22 s(0.21%)p99.99(99.79%) 0.000049095 - 2.589168678
480 RY*(5)H22 s(3.51%)p27.48(96.49%) 0.000045458 - 2.789539954
481 RY*(1)H23 s(98.89%)p0.01(1.11%) 0.000488287 - 1.175211159
482 RY*(2)H23 s(0.21%)p99.99(99.79%) 0.000221056 - 1.928078698
483 RY*(3)H23 s(93.16%)p0.07(6.84%) 0.000169488 - 2.117891759
484 RY*(4)H23 s(6.58%)p14.19(93.42%) 0.000042598 - 2.666479824
485 RY*(5)H23 s(1.19%)p82.70(98.81%) 0.000047909 - 2.574342884
486 RY*(1)H24 s(99.21%)p0.01(0.79%) 0.000485602 - 1.192671005
487 RY*(2)H24 s(4.06%)p23.61(95.94%) 0.000215945 - 1.935598085
488 RY*(3)H24 s(89.85%)p0.11(10.15%) 0.000177118 - 2.095866181
489 RY*(4)H24 s(3.79%)p25.41(96.21%) 0.000047982 - 2.672162559
490 RY*(5)H24 s(3.13%)p30.97(96.87%) 0.000048348 - 2.612702683
491 RY*(1)H25 s(99.92%)p0.00(0.08%) 0.000568475 - 1.683687507
492 RY*(2)H25 s(0.00%)p1.00(100.00%) 0.000208023 - 1.997731179
493 RY*(3)H25 s(89.06%)p0.12(10.94%) 0.000164805 - 1.835624172
494 RY*(4)H25 s(3.87%)p24.86(96.13%) 0.000055366 - 2.646943674
495 RY*(5)H25 s(7.19%)p12.91(92.81%) 0.000058746 - 2.739661794
496 RY*(1)C26 s(2.92%)p32.07(93.56%)d1.21(3.53%) 0.004713383 - 0.858531194
497 RY*(2)C26 s(6.28%)p14.61(91.79%)d0.31(1.93%) 0.004471968 - 0.893790280
498 RY*(3)C26 s(3.13%)p29.81(93.40%)d1.11(3.46%) 0.002832028 - 0.862373082
499 RY*(4)C26 s(76.22%)p0.20(15.08%)d0.11(8.70%) 0.000952239 - 1.247356813
500 RY*(5)C26 s(0.95%)p6.68(6.32%)d98.08(92.74%) 0.000467522 - 1.873302125
501 RY*(6)C26 s(8.28%)p2.53(20.91%)d8.56(70.81%) 0.000338654 - 1.591768518
502 RY*(7)C26 s(0.80%)p24.70(19.83%)d98.87(79.37%) 0.000256649 - 2.064737635
503 RY*(8)C26 s(0.93%)p13.04(12.07%)d94.04(87.01%) 0.000189733 - 1.832376093
504 RY*(9)C26 s(3.30%)p14.97(49.37%)d14.35(47.33%) 0.000168303 - 2.624216137
505 RY*(10)C26 s(0.76%)p68.47(52.12%)d61.90(47.12%) 0.000139965 - 2.437818575
506 RY*(11)C26 s(0.21%)p86.68(17.80%)d99.99(81.99%) 0.000103289 - 2.330549950
507 RY*(12)C26 s(2.41%)p13.81(33.25%)d26.72(64.34%) 0.000100121 - 1.990095989
508 RY*(13)C26 s(5.72%)p10.07(57.61%)d6.41(36.67%) 0.000067108 - 3.046888016
509 RY*(14)C26 s(1.04%)p42.66(44.24%)d52.77(54.72%) 0.000045944 - 2.395420079
510 RY*(15)C26 s(1.34%)p9.10(12.20%)d64.49(86.46%) 0.000041032 - 3.201893319
511 RY*(16)C26 s(2.46%)p26.97(66.45%)d12.62(31.09%) 0.000016176 - 2.635400309
512 RY*(17)C26 s(4.19%)p6.41(26.85%)d16.47(68.97%) 0.000023944 - 3.004015760
513 RY*(18)C26 s(0.18%)p20.28(3.61%)d99.99(96.22%) 0.000004898 - 3.574146047
514 RY*(19)C26 s(77.75%)p0.25(19.35%)d0.04(2.90%) 0.000010328 - 2.453563813
515 RY*(20)C26 s(97.30%)p0.02(1.76%)d0.01(0.95%) 0.000001256 - 21.167916242
516 RY*(21)C26 s(2.84%)p30.57(86.74%)d3.67(10.42%) 0.000010385 - 1.300113491
517 RY*(22)C26 s(1.00%)p76.16(76.11%)d22.90(22.89%) 0.000006342 - 2.935128603
518 RY*(1)C27 s(0.38%)p99.99(96.44%)d8.47(3.18%) 0.004550243 - 0.850268465
519 RY*(2)C27 s(4.25%)p21.38(90.94%)d1.13(4.80%) 0.003985271 - 0.878588979
520 RY*(3)C27 s(9.18%)p9.44(86.65%)d0.45(4.17%) 0.002933711 - 0.894442366
521 RY*(4)C27 s(75.31%)p0.20(15.28%)d0.13(9.42%) 0.000990389 - 1.191257056
522 RY*(5)C27 s(3.84%)p2.41(9.25%)d22.64(86.91%) 0.000451199 - 1.525198653
523 RY*(6)C27 s(0.74%)p12.95(9.54%)d99.99(89.73%) 0.000357510 - 1.892934121
524 RY*(7)C27 s(0.10%)p99.99(11.21%)d99.99(88.68%) 0.000302765 - 1.752452645
525 RY*(8)C27 s(2.77%)p9.11(25.26%)d25.95(71.96%) 0.000184503 - 1.343974754
526 RY*(9)C27 s(10.02%)p1.05(10.52%)d7.93(79.46%) 0.000159744 - 2.024735673
527 RY*(10)C27 s(2.32%)p36.57(84.79%)d5.56(12.89%) 0.000140208 - 3.509650698
528 RY*(11)C27 s(8.36%)p7.53(62.96%)d3.43(28.69%) 0.000113729 - 0.941939173
529 RY*(12)C27 s(5.02%)p5.04(25.31%)d13.87(69.67%) 0.000079296 - 2.314502905
530 RY*(13)C27 s(2.39%)p33.77(80.88%)d6.98(16.73%) 0.000059643 - 3.451430040
531 RY*(14)C27 s(0.63%)p29.02(18.40%)d99.99(80.97%) 0.000028102 - 3.061069572
532 RY*(15)C27 s(0.63%)p99.99(86.01%)d21.10(13.36%) 0.000036864 - 1.227553122
533 RY*(16)C27 s(1.04%)p43.46(45.28%)d51.53(53.68%) 0.000025660 - 1.991831786
534 RY*(17)C27 s(73.43%)p0.23(17.23%)d0.13(9.34%) 0.000012973 - 1.107193754
535 RY*(18)C27 s(1.08%)p5.52(5.99%)d85.74(92.93%) 0.000008304 - 3.121875398
536 RY*(19)C27 s(1.06%)p19.00(20.19%)d74.13(78.75%) 0.000012483 - 2.584227754
537 RY*(20)C27 s(97.10%)p0.03(2.77%)d0.00(0.13%) 0.000000998 - 22.585241713
538 RY*(21)C27 s(0.10%)p99.99(89.08%)d99.99(10.82%) 0.000004327 - 3.425109794
539 RY*(22)C27 s(0.21%)p30.99(6.49%)d99.99(93.30%) 0.000008248 - 3.367596065
540 RY*(1)C28 s(0.11%)p99.99(97.72%)d20.22(2.17%) 0.009835749 - 0.878090546
541 RY*(2)C28 s(7.62%)p11.50(87.69%)d0.61(4.68%) 0.006217114 - 1.149073901
542 RY*(3)C28 s(4.52%)p19.17(86.70%)d1.94(8.78%) 0.003960685 - 1.157445359
543 RY*(4)C28 s(2.71%)p5.09(13.79%)d30.82(83.50%) 0.001534615 - 2.024869575
544 RY*(5)C28 s(18.10%)p0.87(15.67%)d3.66(66.23%) 0.001363537 - 1.928171050
545 RY*(6)C28 s(6.13%)p3.48(21.32%)d11.84(72.55%) 0.001118978 - 2.071291602
546 RY*(7)C28 s(58.91%)p0.20(11.75%)d0.50(29.34%) 0.000797652 - 1.405114237
547 RY*(8)C28 s(1.45%)p10.47(15.19%)d57.47(83.36%) 0.000705979 - 2.795628930
548 RY*(9)C28 s(1.47%)p5.77(8.51%)d61.05(90.02%) 0.000542853 - 3.063067491
549 RY*(10)C28 s(4.94%)p1.56(7.71%)d17.68(87.35%) 0.000358558 - 2.133485395
550 RY*(11)C28 s(3.57%)p4.47(15.95%)d22.56(80.48%) 0.000304937 - 2.344736943
551 RY*(12)C28 s(4.96%)p15.50(76.96%)d3.64(18.08%) 0.000180274 - 1.895653066
552 RY*(13)C28 s(0.30%)p10.51(3.15%)d99.99(96.55%) 0.000132730 - 2.910625518
553 RY*(14)C28 s(13.07%)p4.93(64.50%)d1.72(22.42%) 0.000085456 - 2.775962856
554 RY*(15)C28 s(3.66%)p5.35(19.62%)d20.94(76.72%) 0.000046390 - 2.888942536
555 RY*(16)C28 s(1.81%)p45.70(82.84%)d8.47(15.35%) 0.000011939 - 1.892510133
556 RY*(17)C28 s(6.37%)p12.44(79.30%)d2.25(14.33%) 0.000018804 - 3.666734899
557 RY*(18)C28 s(0.21%)p99.99(96.59%)d15.49(3.21%) 0.000013306 - 2.362456426
558 RY*(19)C28 s(70.46%)p0.09(6.59%)d0.33(22.96%) 0.000016345 - 7.432423663
559 RY*(20)C28 s(1.21%)p0.28(0.34%)d81.35(98.45%) 0.000011342 - 3.221399637
560 RY*(21)C28 s(0.60%)p99.99(79.07%)d34.13(20.33%) 0.000004808 - 2.052016144
561 RY*(22)C28 s(87.84%)p0.11(9.51%)d0.03(2.65%) 0.000003353 - 15.259491309
562 RY*(1)C29 s(0.71%)p99.99(96.84%)d3.48(2.46%) 0.003335336 - 0.779744074
563 RY*(2)C29 s(0.06%)p99.99(91.53%)d99.99(8.42%) 0.001769044 - 0.772978439
564 RY*(3)C29 s(27.06%)p2.54(68.69%)d0.16(4.25%) 0.001041319 - 0.742559833
565 RY*(4)C29 s(2.47%)p3.23(7.97%)d36.30(89.56%) 0.000341353 - 1.222802546
566 RY*(5)C29 s(0.52%)p12.41(6.40%)d99.99(93.08%) 0.000304748 - 1.275897660
567 RY*(6)C29 s(12.13%)p4.45(53.96%)d2.79(33.91%) 0.000203268 - 1.040776851
568 RY*(7)C29 s(9.39%)p3.00(28.13%)d6.65(62.48%) 0.000140723 - 1.732595709
569 RY*(8)C29 s(9.86%)p3.10(30.58%)d6.04(59.57%) 0.000110328 - 1.782801550
570 RY*(9)C29 s(37.75%)p1.15(43.59%)d0.49(18.66%) 0.000077043 - 1.380147921
571 RY*(10)C29 s(7.43%)p9.12(67.82%)d3.33(24.75%) 0.000040787 - 1.304475885
572 RY*(11)C29 s(4.23%)p3.87(16.36%)d18.79(79.42%) 0.000016090 - 1.297706284
573 RY*(12)C29 s(0.60%)p99.99(94.04%)d8.85(5.35%) 0.000006277 - 2.882431693
574 RY*(13)C29 s(8.54%)p9.88(84.39%)d0.83(7.06%) 0.000006506 - 2.275070170
575 RY*(14)C29 s(0.73%)p8.78(6.37%)d99.99(92.91%) 0.000002266 - 3.288719078
576 RY*(15)C29 s(99.03%)p0.01(0.91%)d0.00(0.06%) 0.000000302 - 22.260236612
577 RY*(16)C29 s(0.08%)p51.44(4.22%)d99.99(95.70%) 0.000001442 - 3.312921403
578 RY*(17)C29 s(31.11%)p1.72(53.64%)d0.49(15.25%) 0.000006388 - 1.167360585
579 RY*(18)C29 s(0.46%)p5.28(2.43%)d99.99(97.10%) 0.000002015 - 3.258237075
580 RY*(19)C29 s(6.68%)p12.09(80.79%)d1.88(12.53%) 0.000009445 - 2.198190898
581 RY*(20)C29 s(0.14%)p65.87(9.35%)d99.99(90.51%) 0.000004293 - 3.302338034
582 RY*(21)C29 s(40.80%)p1.15(47.06%)d0.30(12.14%) 0.000003568 - 1.069873163
583 RY*(22)C29 s(0.28%)p19.20(5.36%)d99.99(94.36%) 0.000006414 - 3.237335359
584 RY*(1)H30 s(98.66%)p0.01(1.34%) 0.001143113 - 1.143323290
585 RY*(2)H30 s(88.30%)p0.13(11.70%) 0.000147968 - 1.966380430
586 RY*(3)H30 s(0.45%)p99.99(99.55%) 0.000120924 - 2.219221568
587 RY*(4)H30 s(4.66%)p20.46(95.34%) 0.000123606 - 2.040070101
588 RY*(5)H30 s(7.95%)p11.58(92.05%) 0.000032818 - 2.518348392
589 RY*(1)H31 s(96.48%)p0.04(3.52%) 0.000870164 - 1.005742740
590 RY*(2)H31 s(47.82%)p1.09(52.18%) 0.000162911 - 2.008196325
591 RY*(3)H31 s(48.79%)p1.05(51.21%) 0.000103738 - 2.303598765
592 RY*(4)H31 s(0.79%)p99.99(99.21%) 0.000099878 - 2.041001811
593 RY*(5)H31 s(6.15%)p15.26(93.85%) 0.000027161 - 2.599490760
594 RY*(1)H32 s(95.63%)p0.05(4.37%) 0.000856382 - 1.014752769
595 RY*(2)H32 s(58.89%)p0.70(41.11%) 0.000155632 - 1.981449933
596 RY*(3)H32 s(37.34%)p1.68(62.66%) 0.000107345 - 2.214010391
597 RY*(4)H32 s(3.30%)p29.33(96.70%) 0.000105699 - 2.086341965
598 RY*(5)H32 s(4.88%)p19.51(95.12%) 0.000027708 - 2.649525880
599 RY*(1)O33 s(2.24%)p43.02(96.22%)d0.69(1.54%) 0.004021619 - 0.957565476
600 RY*(2)O33 s(1.25%)p74.74(93.67%)d4.05(5.08%) 0.002535725 - 0.765728140
601 RY*(3)O33 s(17.52%)p4.47(78.23%)d0.24(4.25%) 0.001361852 - 1.176433796
602 RY*(4)O33 s(39.47%)p1.32(52.23%)d0.21(8.30%) 0.001117913 - 0.692310164
603 RY*(5)O33 s(4.08%)p19.06(77.79%)d4.44(18.12%) 0.000451878 - 1.568903230
604 RY*(6)O33 s(7.35%)p9.73(71.50%)d2.88(21.15%) 0.000396501 - 1.370320424
605 RY*(7)O33 s(15.68%)p2.98(46.64%)d2.40(37.68%) 0.000201694 - 1.912613465
606 RY*(8)O33 s(0.78%)p19.97(15.53%)d99.99(83.70%) 0.000115213 - 2.120340298
607 RY*(9)O33 s(3.24%)p4.40(14.28%)d25.43(82.47%) 0.000088239 - 3.507354514
608 RY*(10)O33 s(21.87%)p0.52(11.28%)d3.06(66.84%) 0.000084859 - 2.037417980
609 RY*(11)O33 s(54.26%)p0.29(15.62%)d0.56(30.12%) 0.000032026 - 3.148167405
610 RY*(12)O33 s(2.56%)p6.21(15.88%)d31.90(81.56%) 0.000034491 - 2.537959121
611 RY*(13)O33 s(7.58%)p2.12(16.10%)d10.07(76.32%) 0.000037093 - 4.134109907
612 RY*(14)O33 s(0.36%)p26.61(9.51%)d99.99(90.13%) 0.000009988 - 5.042153194
613 RY*(15)O33 s(99.70%)p0.00(0.10%)d0.00(0.20%) 0.000000165 - 49.066147540
614 RY*(16)O33 s(0.69%)p1.42(0.98%)d99.99(98.33%) 0.000001150 - 6.483338687
615 RY*(17)O33 s(1.78%)p54.64(97.03%)d0.67(1.19%) 0.000001501 - 4.936890029
616 RY*(18)O33 s(15.11%)p0.29(4.45%)d5.32(80.44%) 0.000009127 - 5.120669948
617 RY*(19)O33 s(2.83%)p28.74(81.39%)d5.57(15.77%) 0.000005818 - 4.368535580
618 RY*(20)O33 s(0.34%)p8.73(3.01%)d99.99(96.64%) 0.000006273 - 6.251741147
619 RY*(21)O33 s(0.42%)p99.99(95.34%)d10.09(4.24%) 0.000007509 - 4.634261908
620 RY*(22)O33 s(0.93%)p4.16(3.87%)d99.99(95.20%) 0.000002219 - 6.373597266
621 RY*(1)C34 s(7.95%)p9.00(71.55%)d2.58(20.49%) 0.003751955 - 0.835907568
622 RY*(2)C34 s(4.37%)p11.99(52.34%)d9.91(43.29%) 0.002555100 - 1.065434015
623 RY*(3)C34 s(1.26%)p57.45(72.31%)d20.99(26.43%) 0.001784637 - 1.253962150
624 RY*(4)C34 s(0.64%)p99.99(66.51%)d51.30(32.85%) 0.000842721 - 1.411934365
625 RY*(5)C34 s(14.08%)p4.04(56.90%)d2.06(29.01%) 0.000467233 - 1.394317855
626 RY*(6)C34 s(45.58%)p0.26(11.66%)d0.94(42.76%) 0.000389176 - 1.579491334
627 RY*(7)C34 s(14.61%)p2.06(30.06%)d3.79(55.33%) 0.000278301 - 1.516713798
628 RY*(8)C34 s(3.07%)p17.00(52.25%)d14.54(44.68%) 0.000153165 - 2.159415060
629 RY*(9)C34 s(4.65%)p6.40(29.76%)d14.12(65.59%) 0.000107724 - 2.018640571
630 RY*(10)C34 s(2.30%)p9.94(22.91%)d32.46(74.79%) 0.000079641 - 2.140158646
631 RY*(11)C34 s(0.88%)p22.19(19.50%)d90.60(79.62%) 0.000041350 - 1.999015956
632 RY*(12)C34 s(5.91%)p3.88(22.96%)d12.03(71.13%) 0.000025920 - 2.175687172
633 RY*(13)C34 s(19.74%)p1.00(19.65%)d3.07(60.61%) 0.000023001 - 1.632651274
634 RY*(14)C34 s(2.85%)p10.07(28.74%)d23.98(68.41%) 0.000003939 - 2.266855642
635 RY*(15)C34 s(97.15%)p0.01(1.16%)d0.02(1.69%) 0.000000896 - 22.369369985
636 RY*(16)C34 s(20.19%)p2.83(57.19%)d1.12(22.62%) 0.000008179 - 1.863440312
637 RY*(17)C34 s(1.92%)p44.97(86.36%)d6.10(11.72%) 0.000004181 - 2.388180534
638 RY*(18)C34 s(4.55%)p1.56(7.10%)d19.40(88.34%) 0.000003243 - 2.704953594
639 RY*(19)C34 s(0.61%)p99.39(61.11%)d62.26(38.28%) 0.000008210 - 1.110732979
640 RY*(20)C34 s(1.02%)p1.77(1.80%)d95.19(97.18%) 0.000001228 - 3.605059136
641 RY*(21)C34 s(43.79%)p0.86(37.78%)d0.42(18.43%) 0.000003882 - 1.626400415
642 RY*(22)C34 s(2.83%)p32.14(90.93%)d2.21(6.24%) 0.000006045 - 2.966657867
643 RY*(1)C35 s(7.07%)p10.42(73.66%)d2.73(19.27%) 0.003635141 - 0.842546018
644 RY*(2)C35 s(5.80%)p10.13(58.82%)d6.09(35.37%) 0.002457675 - 1.066783364
645 RY*(3)C35 s(3.88%)p16.88(65.60%)d7.86(30.52%) 0.001923910 - 1.359582622
646 RY*(4)C35 s(1.45%)p35.26(51.04%)d32.81(47.51%) 0.000748698 - 1.612305526
647 RY*(5)C35 s(14.61%)p2.58(37.73%)d3.26(47.66%) 0.000473698 - 1.342644510
648 RY*(6)C35 s(8.75%)p6.73(58.89%)d3.70(32.36%) 0.000410446 - 1.601469347
649 RY*(7)C35 s(39.78%)p0.49(19.58%)d1.02(40.64%) 0.000255424 - 1.453874073
650 RY*(8)C35 s(6.55%)p5.48(35.90%)d8.79(57.55%) 0.000167891 - 2.185113624
651 RY*(9)C35 s(3.59%)p8.07(28.98%)d18.78(67.43%) 0.000123620 - 2.390912437
652 RY*(10)C35 s(4.93%)p7.47(36.80%)d11.83(58.27%) 0.000071658 - 1.283659928
653 RY*(11)C35 s(1.78%)p22.47(39.95%)d32.78(58.27%) 0.000066508 - 2.116712616
654 RY*(12)C35 s(0.80%)p57.02(45.78%)d66.54(53.42%) 0.000024244 - 1.836469683
655 RY*(13)C35 s(4.93%)p5.06(24.97%)d14.22(70.10%) 0.000024652 - 2.088833071
656 RY*(14)C35 s(1.26%)p9.41(11.89%)d68.75(86.85%) 0.000003684 - 2.851369326
657 RY*(15)C35 s(98.26%)p0.01(1.18%)d0.01(0.56%) 0.000000535 - 22.482863628
658 RY*(16)C35 s(4.13%)p1.66(6.86%)d21.58(89.01%) 0.000002099 - 3.128357102
659 RY*(17)C35 s(0.57%)p99.99(75.50%)d42.27(23.93%) 0.000003421 - 2.441025804
660 RY*(18)C35 s(47.59%)p0.53(25.38%)d0.57(27.03%) 0.000004800 - 2.121838844
661 RY*(19)C35 s(9.62%)p8.28(79.60%)d1.12(10.78%) 0.000004496 - 2.092338067
662 RY*(20)C35 s(2.32%)p4.19(9.73%)d37.85(87.95%) 0.000002356 - 2.756579698
663 RY*(21)C35 s(21.89%)p2.00(43.79%)d1.57(34.32%) 0.000007869 - 1.786181179
664 RY*(22)C35 s(10.43%)p6.60(68.87%)d1.99(20.70%) 0.000003607 - 1.270833036
665 RY*(1)O36 s(1.46%)p65.86(96.18%)d1.62(2.36%) 0.004068903 - 0.863414165
666 RY*(2)O36 s(0.31%)p99.99(91.77%)d25.27(7.91%) 0.002215798 - 0.912293964
667 RY*(3)O36 s(8.07%)p11.16(90.08%)d0.23(1.85%) 0.001372976 - 0.991300350
668 RY*(4)O36 s(49.05%)p0.90(43.92%)d0.14(7.03%) 0.000908123 - 0.950174279
669 RY*(5)O36 s(1.29%)p61.30(79.10%)d15.20(19.61%) 0.000564980 - 1.523792883
670 RY*(6)O36 s(12.87%)p5.12(65.86%)d1.65(21.27%) 0.000405519 - 1.403550665
671 RY*(7)O36 s(17.89%)p2.88(51.55%)d1.71(30.56%) 0.000215365 - 1.783140420
672 RY*(8)O36 s(3.46%)p5.29(18.31%)d22.60(78.23%) 0.000117476 - 2.339852169
673 RY*(9)O36 s(2.82%)p3.43(9.65%)d31.08(87.53%) 0.000102461 - 2.795847405
674 RY*(10)O36 s(2.36%)p9.44(22.24%)d32.01(75.40%) 0.000060900 - 2.137553715
675 RY*(11)O36 s(2.38%)p3.87(9.20%)d37.21(88.42%) 0.000040236 - 3.810765475
676 RY*(12)O36 s(7.47%)p1.93(14.41%)d10.46(78.12%) 0.000029612 - 3.199223574
677 RY*(13)O36 s(49.37%)p0.18(8.96%)d0.84(41.67%) 0.000016786 - 4.131984672
678 RY*(14)O36 s(1.17%)p0.93(1.09%)d83.26(97.74%) 0.000001145 - 6.721708626
679 RY*(15)O36 s(1.28%)p9.16(11.73%)d67.92(86.99%) 0.000011092 - 4.816366936
680 RY*(16)O36 s(13.24%)p0.60(7.98%)d5.95(78.79%) 0.000003323 - 4.988189098
681 RY*(17)O36 s(4.21%)p22.23(93.54%)d0.53(2.25%) 0.000004141 - 4.634626450
682 RY*(18)O36 s(8.73%)p0.53(4.64%)d9.93(86.63%) 0.000003273 - 5.783391300
683 RY*(19)O36 s(5.02%)p17.93(90.10%)d0.97(4.87%) 0.000002146 - 4.567179601
684 RY*(20)O36 s(7.11%)p0.44(3.14%)d12.63(89.75%) 0.000003582 - 6.101147698
685 RY*(21)O36 s(1.35%)p64.30(87.08%)d8.54(11.56%) 0.000009935 - 4.447954125
686 RY*(22)O36 s(99.13%)p0.00(0.14%)d0.01(0.73%) 0.000000131 - 49.183380723
687 RY*(1)H37 s(98.91%)p0.01(1.09%) 0.000787577 - 0.765859519
688 RY*(2)H37 s(70.06%)p0.43(29.94%) 0.000243418 - 2.093681571
689 RY*(3)H37 s(21.93%)p3.56(78.07%) 0.000098212 - 2.172191971
690 RY*(4)H37 s(1.49%)p66.15(98.51%) 0.000049574 - 2.215666409
691 RY*(5)H37 s(7.65%)p12.08(92.35%) 0.000036456 - 2.968743815
692 RY*(1)H38 s(99.64%)p0.00(0.36%) 0.001464547 - 0.781772167
693 RY*(2)H38 s(67.17%)p0.49(32.83%) 0.000273474 - 2.065114495
694 RY*(3)H38 s(15.33%)p5.53(84.67%) 0.000107208 - 2.302332582
695 RY*(4)H38 s(9.51%)p9.51(90.49%) 0.000072248 - 2.302615092
696 RY*(5)H38 s(8.38%)p10.93(91.62%) 0.000047283 - 2.779895560
697 RY*(1)H39 s(99.47%)p0.01(0.53%) 0.001543899 - 0.831362648
698 RY*(2)H39 s(74.40%)p0.34(25.60%) 0.000317178 - 2.040446572
699 RY*(3)H39 s(15.28%)p5.54(84.72%) 0.000099481 - 2.175558651
700 RY*(4)H39 s(2.11%)p46.49(97.89%) 0.000062588 - 2.387499674
701 RY*(5)H39 s(8.78%)p10.39(91.22%) 0.000047182 - 2.785593633
702 RY*(1)H40 s(99.56%)p0.00(0.44%) 0.001079855 - 0.624571500
703 RY*(2)H40 s(77.30%)p0.29(22.70%) 0.000285531 - 2.146922123
704 RY*(3)H40 s(11.80%)p7.47(88.20%) 0.000093205 - 2.171166640
705 RY*(4)H40 s(4.88%)p19.47(95.12%) 0.000044407 - 2.663537589
706 RY*(5)H40 s(6.49%)p14.40(93.51%) 0.000046515 - 2.528266537
707 RY*(1)H41 s(96.21%)p0.04(3.79%) 0.000873074 - 1.472228531
708 RY*(2)H41 s(43.60%)p1.29(56.40%) 0.000197293 - 2.107591450
709 RY*(3)H41 s(24.34%)p3.11(75.66%) 0.000150670 - 2.198491004
710 RY*(4)H41 s(29.54%)p2.38(70.46%) 0.000084533 - 2.270860634
711 RY*(5)H41 s(6.33%)p14.80(93.67%) 0.000031875 - 2.725669232
712 RY*(1)H42 s(98.05%)p0.02(1.95%) 0.000989018 - 1.408693238
713 RY*(2)H42 s(78.28%)p0.28(21.72%) 0.000297836 - 1.843007227
714 RY*(3)H42 s(9.39%)p9.65(90.61%) 0.000161864 - 2.314218173
715 RY*(4)H42 s(12.84%)p6.79(87.16%) 0.000096611 - 2.259253591
716 RY*(5)H42 s(1.47%)p67.22(98.53%) 0.000047280 - 2.938866052
717 RY*(1)H43 s(98.49%)p0.02(1.51%) 0.001446218 - 1.567042796
718 RY*(2)H43 s(92.83%)p0.08(7.17%) 0.000243840 - 1.768070632
719 RY*(3)H43 s(5.73%)p16.44(94.27%) 0.000178108 - 2.391515359
720 RY*(4)H43 s(0.93%)p99.99(99.07%) 0.000117565 - 2.245929835
721 RY*(5)H43 s(2.04%)p48.09(97.96%) 0.000042306 - 2.918857664
722 RY*(1)H44 s(99.40%)p0.01(0.60%) 0.002200612 - 0.703420731
723 RY*(2)H44 s(84.73%)p0.18(15.27%) 0.000280474 - 2.359027548
724 RY*(3)H44 s(0.17%)p99.99(99.83%) 0.000184899 - 2.435501567
725 RY*(4)H44 s(15.14%)p5.61(84.86%) 0.000091378 - 2.403259244
726 RY*(5)H44 s(0.57%)p99.99(99.43%) 0.000045479 - 2.992778186

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-O2 1117, 1118 1.987822486 - -0.820608918
2 BD(1)C1-C4 1119, 1120 1.964723752 - -0.611266636
3 BD(1)C1-C15 1121, 1122 1.958825979 - -0.608465934
4 BD(1)C1-C26 1123, 1124 1.968637887 - -0.598565911
5 BD(1)O2-H3 1125, 1126 1.987007504 - -0.715657991
6 BD(1)C4-C5 1127, 1128 1.972451369 - -0.697603096
7 BD(2)C4-C5 1129, 1130 1.670465074 - -0.252650545
8 BD(1)C4-C9 1131, 1132 1.970663621 - -0.686922131
9 BD(1)C5-C6 1133, 1134 1.977044690 - -0.694753624
10 BD(1)C5-H14 1135, 1136 1.976994916 - -0.516292484
11 BD(1)C6-C7 1137, 1138 1.978842408 - -0.699178152
12 BD(2)C6-C7 1139, 1140 1.674586782 - -0.251631037
13 BD(1)C6-H13 1141, 1142 1.979107802 - -0.515115684
14 BD(1)C7-C8 1143, 1144 1.978741741 - -0.694881119
15 BD(1)C7-H12 1145, 1146 1.979404327 - -0.515891889
16 BD(1)C8-C9 1147, 1148 1.977605023 - -0.696898205
17 BD(2)C8-C9 1149, 1150 1.666121966 - -0.249111299
18 BD(1)C8-H11 1151, 1152 1.979154529 - -0.513267362
19 BD(1)C9-H10 1153, 1154 1.977018492 - -0.506545705
20 BD(1)C15-C16 1155, 1156 1.970890375 - -0.688118305
21 BD(2)C15-C16 1157, 1158 1.656398313 - -0.242845299
22 BD(1)C15-C20 1159, 1160 1.970421219 - -0.687180269
23 BD(1)C16-C17 1161, 1162 1.976526866 - -0.686517024
24 BD(1)C16-H25 1163, 1164 1.976477103 - -0.499825588
25 BD(1)C17-C18 1165, 1166 1.978900258 - -0.691969855
26 BD(2)C17-C18 1167, 1168 1.673550935 - -0.245036410
27 BD(1)C17-H24 1169, 1170 1.979031781 - -0.507800411
28 BD(1)C18-C19 1171, 1172 1.978525483 - -0.690130834
29 BD(1)C18-H23 1173, 1174 1.979457166 - -0.510239521
30 BD(1)C19-C20 1175, 1176 1.977074023 - -0.691871000
31 BD(2)C19-C20 1177, 1178 1.674058236 - -0.245487102
32 BD(1)C19-H22 1179, 1180 1.979234194 - -0.509366936
33 BD(1)C20-H21 1181, 1182 1.977990878 - -0.508801951
34 BD(1)C26-C27 1183, 1184 1.979173644 - -0.598700424
35 BD(1)C26-H43 1185, 1186 1.974461899 - -0.486939541
36 BD(1)C26-H44 1187, 1188 1.972251918 - -0.489920606
37 BD(1)C27-C28 1189, 1190 1.975293624 - -0.621190687
38 BD(1)C27-H41 1191, 1192 1.968501296 - -0.481227047
39 BD(1)C27-H42 1193, 1194 1.969713636 - -0.479959147
40 BD(1)C28-C29 1195, 1196 1.983312407 - -0.627507587
41 BD(1)C28-O33 1197, 1198 1.986898778 - -0.811053823
42 BD(1)C28-O36 1199, 1200 1.986531573 - -0.824316910
43 BD(1)C29-H30 1201, 1202 1.984996519 - -0.498669547
44 BD(1)C29-H31 1203, 1204 1.981473281 - -0.497436440
45 BD(1)C29-H32 1205, 1206 1.980645129 - -0.496849100
46 BD(1)O33-C34 1207, 1208 1.984347170 - -0.796025693
47 BD(1)C34-C35 1209, 1210 1.992271229 - -0.631189002
48 BD(1)C34-H39 1211, 1212 1.988062741 - -0.519632824
49 BD(1)C34-H40 1213, 1214 1.984745702 - -0.524311966
50 BD(1)C35-O36 1215, 1216 1.984204447 - -0.797976732
51 BD(1)C35-H37 1217, 1218 1.983952723 - -0.528150015
52 BD(1)C35-H38 1219, 1220 1.988493178 - -0.523126439
53 CR(1)C1 1221 1.998898869 - -10.110334513
54 CR(1)O2 1222 1.999777886 - -18.910908773
55 CR(1)C4 1223 1.998936017 - -10.034691579
56 CR(1)C5 1224 1.999027565 - -10.026294109
57 CR(1)C6 1225 1.999151241 - -10.029792545
58 CR(1)C7 1226 1.999145883 - -10.028618433
59 CR(1)C8 1227 1.999148240 - -10.028374021
60 CR(1)C9 1228 1.999030652 - -10.022125970
61 CR(1)C15 1229 1.998921828 - -10.029400632
62 CR(1)C16 1230 1.999007591 - -10.015167077
63 CR(1)C17 1231 1.999147945 - -10.022989031
64 CR(1)C18 1232 1.999146197 - -10.022431150
65 CR(1)C19 1233 1.999150946 - -10.023930101
66 CR(1)C20 1234 1.999022291 - -10.019673517
67 CR(1)C26 1235 1.999188699 - -10.022620734
68 CR(1)C27 1236 1.999093367 - -10.014565184
69 CR(1)C28 1237 1.999139780 - -10.156957626
70 CR(1)C29 1238 1.999203979 - -10.012408833
71 CR(1)O33 1239 1.999743475 - -18.920430589
72 CR(1)C34 1240 1.999217836 - -10.100326681
73 CR(1)C35 1241 1.999220797 - -10.101405098
74 CR(1)O36 1242 1.999741416 - -18.921427253
75 LP(1)O2 1243 1.977417526 - -0.615692503
76 LP(2)O2 1244 1.956195671 - -0.305664999
77 LP(1)O33 1245 1.960605562 - -0.568602764
78 LP(2)O33 1246 1.925957728 - -0.298235561
79 LP(1)O36 1247 1.961056017 - -0.576643869
80 LP(2)O36 1248 1.916265416 - -0.303426910
81 RY*(1)C1 1249 0.012091934 - 1.033142285
82 RY*(2)C1 1250 0.003740191 - 1.211058450
83 RY*(3)C1 1251 0.003040453 - 1.230516357
84 RY*(4)C1 1252 0.001922389 - 2.199297327
85 RY*(5)C1 1253 0.001198071 - 1.545663240
86 RY*(6)C1 1254 0.001082171 - 2.050670028
87 RY*(7)C1 1255 0.000805071 - 2.225830261
88 RY*(8)C1 1256 0.000699702 - 2.899060794
89 RY*(9)C1 1257 0.000525042 - 2.088113233
90 RY*(10)C1 1258 0.000517296 - 2.098871749
91 RY*(11)C1 1259 0.000407362 - 2.059624951
92 RY*(12)C1 1260 0.000290022 - 2.556195766
93 RY*(13)C1 1261 0.000260215 - 1.861430522
94 RY*(14)C1 1262 0.000177545 - 2.036834242
95 RY*(15)C1 1263 0.000127776 - 2.291172341
96 RY*(16)C1 1264 0.000115475 - 3.363111115
97 RY*(17)C1 1265 0.000077847 - 3.421193217
98 RY*(18)C1 1266 0.000051535 - 1.734228645
99 RY*(19)C1 1267 0.000049419 - 3.046908098
100 RY*(20)C1 1268 0.000030670 - 5.372785211
101 RY*(21)C1 1269 0.000024675 - 12.640770405
102 RY*(22)C1 1270 0.000032957 - 4.908842818
103 RY*(1)O2 1271 0.002664468 - 0.756765188
104 RY*(2)O2 1272 0.001483112 - 1.124075217
105 RY*(3)O2 1273 0.000457094 - 0.895608939
106 RY*(4)O2 1274 0.000365812 - 2.197227860
107 RY*(5)O2 1275 0.000149010 - 2.100845896
108 RY*(6)O2 1276 0.000105810 - 2.439018254
109 RY*(7)O2 1277 0.000080397 - 2.048081355
110 RY*(8)O2 1278 0.000059540 - 1.889440865
111 RY*(9)O2 1279 0.000062730 - 1.934423131
112 RY*(10)O2 1280 0.000026903 - 1.995723610
113 RY*(11)O2 1281 0.000036212 - 2.325388134
114 RY*(12)O2 1282 0.000011614 - 5.262358943
115 RY*(13)O2 1283 0.000018964 - 1.710371479
116 RY*(14)O2 1284 0.000017870 - 2.305849478
117 RY*(15)O2 1285 0.000000105 - 48.862399043
118 RY*(16)O2 1286 0.000001064 - 6.161142713
119 RY*(17)O2 1287 0.000001787 - 5.083060041
120 RY*(18)O2 1288 0.000002920 - 5.691558335
121 RY*(19)O2 1289 0.000005858 - 4.769773514
122 RY*(20)O2 1290 0.000000933 - 6.873056173
123 RY*(21)O2 1291 0.000000480 - 6.767350782
124 RY*(22)O2 1292 0.000001128 - 6.878568241
125 RY*(1)H3 1293 0.000874071 - 2.057906663
126 RY*(2)H3 1294 0.000718277 - 2.178821428
127 RY*(3)H3 1295 0.000300124 - 1.927610040
128 RY*(4)H3 1296 0.000177470 - 1.775856998
129 RY*(5)H3 1297 0.000011229 - 2.534587339
130 RY*(1)C4 1298 0.007869057 - 1.356889674
131 RY*(2)C4 1299 0.004587697 - 1.097409080
132 RY*(3)C4 1300 0.003646554 - 0.978767924
133 RY*(4)C4 1301 0.001609419 - 1.099542399
134 RY*(5)C4 1302 0.001162688 - 1.258740946
135 RY*(6)C4 1303 0.001051233 - 1.480581414
136 RY*(7)C4 1304 0.000895590 - 1.473185365
137 RY*(8)C4 1305 0.000673508 - 2.933290845
138 RY*(9)C4 1306 0.000581474 - 1.313662073
139 RY*(10)C4 1307 0.000373938 - 2.597090504
140 RY*(11)C4 1308 0.000322229 - 2.057685660
141 RY*(12)C4 1309 0.000213714 - 2.487718144
142 RY*(13)C4 1310 0.000211140 - 2.618863968
143 RY*(14)C4 1311 0.000162166 - 2.562504422
144 RY*(15)C4 1312 0.000079668 - 3.395808323
145 RY*(16)C4 1313 0.000050711 - 3.344758767
146 RY*(17)C4 1314 0.000037887 - 3.703410308
147 RY*(18)C4 1315 0.000044469 - 2.067664581
148 RY*(19)C4 1316 0.000006326 - 3.073272589
149 RY*(20)C4 1317 0.000008108 - 19.518897250
150 RY*(21)C4 1318 0.000010912 - 3.114749597
151 RY*(22)C4 1319 0.000004293 - 3.530279604
152 RY*(1)C5 1320 0.005899869 - 1.364062856
153 RY*(2)C5 1321 0.001827076 - 1.461454727
154 RY*(3)C5 1322 0.001321530 - 0.673900799
155 RY*(4)C5 1323 0.000797484 - 1.995591323
156 RY*(5)C5 1324 0.000562939 - 1.864558300
157 RY*(6)C5 1325 0.000424782 - 1.962827524
158 RY*(7)C5 1326 0.000235817 - 1.338448239
159 RY*(8)C5 1327 0.000162556 - 2.306733005
160 RY*(9)C5 1328 0.000117427 - 2.454987518
161 RY*(10)C5 1329 0.000080726 - 1.272809891
162 RY*(11)C5 1330 0.000056145 - 3.128440022
163 RY*(12)C5 1331 0.000041575 - 3.145001043
164 RY*(13)C5 1332 0.000029585 - 2.195669691
165 RY*(14)C5 1333 0.000026819 - 2.147150741
166 RY*(15)C5 1334 0.000025376 - 2.637723280
167 RY*(16)C5 1335 0.000003728 - 3.053397551
168 RY*(17)C5 1336 0.000006968 - 1.874195431
169 RY*(18)C5 1337 0.000007239 - 3.252030798
170 RY*(19)C5 1338 0.000002784 - 18.208822131
171 RY*(20)C5 1339 0.000007427 - 1.560950857
172 RY*(21)C5 1340 0.000005781 - 2.829379468
173 RY*(22)C5 1341 0.000006797 - 3.154252974
174 RY*(1)C6 1342 0.006717517 - 1.248243498
175 RY*(2)C6 1343 0.002110451 - 1.305457378
176 RY*(3)C6 1344 0.001222148 - 0.445623663
177 RY*(4)C6 1345 0.000808952 - 1.917248539
178 RY*(5)C6 1346 0.000489342 - 1.946659816
179 RY*(6)C6 1347 0.000387469 - 2.810385249
180 RY*(7)C6 1348 0.000130923 - 2.065720533
181 RY*(8)C6 1349 0.000107810 - 3.451723344
182 RY*(9)C6 1350 0.000060538 - 1.413492142
183 RY*(10)C6 1351 0.000064891 - 2.204715155
184 RY*(11)C6 1352 0.000031267 - 2.241021301
185 RY*(12)C6 1353 0.000028589 - 2.649049920
186 RY*(13)C6 1354 0.000023401 - 2.693813539
187 RY*(14)C6 1355 0.000011854 - 1.448869506
188 RY*(15)C6 1356 0.000013930 - 1.792809812
189 RY*(16)C6 1357 0.000007191 - 1.864697033
190 RY*(17)C6 1358 0.000001076 - 16.391994847
191 RY*(18)C6 1359 0.000002207 - 4.381599101
192 RY*(19)C6 1360 0.000002530 - 2.622217222
193 RY*(20)C6 1361 0.000003875 - 3.077538706
194 RY*(21)C6 1362 0.000005115 - 1.539093646
195 RY*(22)C6 1363 0.000000659 - 3.065490136
196 RY*(1)C7 1364 0.006273436 - 1.282568269
197 RY*(2)C7 1365 0.002166096 - 1.325796249
198 RY*(3)C7 1366 0.001218494 - 0.408920052
199 RY*(4)C7 1367 0.000797306 - 1.892300807
200 RY*(5)C7 1368 0.000613392 - 1.463723936
201 RY*(6)C7 1369 0.000369662 - 3.008148135
202 RY*(7)C7 1370 0.000131610 - 1.451254369
203 RY*(8)C7 1371 0.000108783 - 3.708305529
204 RY*(9)C7 1372 0.000061397 - 2.290756212
205 RY*(10)C7 1373 0.000039071 - 2.960164826
206 RY*(11)C7 1374 0.000027097 - 2.122889335
207 RY*(12)C7 1375 0.000023387 - 2.562992781
208 RY*(13)C7 1376 0.000005579 - 2.660998206
209 RY*(14)C7 1377 0.000007628 - 3.411920005
210 RY*(15)C7 1378 0.000001693 - 18.689298266
211 RY*(16)C7 1379 0.000005168 - 1.501159705
212 RY*(17)C7 1380 0.000003763 - 1.945957002
213 RY*(18)C7 1381 0.000001375 - 2.986722996
214 RY*(19)C7 1382 0.000003241 - 1.595912204
215 RY*(20)C7 1383 0.000004245 - 1.256832521
216 RY*(21)C7 1384 0.000003529 - 2.383146619
217 RY*(22)C7 1385 0.000002233 - 1.512712188
218 RY*(1)C8 1386 0.006512393 - 1.255433803
219 RY*(2)C8 1387 0.002126913 - 1.327005358
220 RY*(3)C8 1388 0.001136129 - 0.432264996
221 RY*(4)C8 1389 0.000771948 - 1.968719399
222 RY*(5)C8 1390 0.000471936 - 1.931510177
223 RY*(6)C8 1391 0.000396348 - 2.638644955
224 RY*(7)C8 1392 0.000131567 - 2.341331800
225 RY*(8)C8 1393 0.000107046 - 3.110395498
226 RY*(9)C8 1394 0.000074486 - 1.853046628
227 RY*(10)C8 1395 0.000045905 - 2.216972493
228 RY*(11)C8 1396 0.000049516 - 1.544386200
229 RY*(12)C8 1397 0.000024924 - 1.294082476
230 RY*(13)C8 1398 0.000032985 - 2.745725702
231 RY*(14)C8 1399 0.000003910 - 2.533650343
232 RY*(15)C8 1400 0.000006134 - 2.908376087
233 RY*(16)C8 1401 0.000006200 - 2.781455958
234 RY*(17)C8 1402 0.000001139 - 19.057223590
235 RY*(18)C8 1403 0.000002370 - 3.181554841
236 RY*(19)C8 1404 0.000005788 - 1.004800580
237 RY*(20)C8 1405 0.000001734 - 2.705998897
238 RY*(21)C8 1406 0.000003454 - 1.819386834
239 RY*(22)C8 1407 0.000009377 - 1.906907804
240 RY*(1)C9 1408 0.006502352 - 1.348917680
241 RY*(2)C9 1409 0.002535499 - 1.087059288
242 RY*(3)C9 1410 0.001083557 - 0.815254173
243 RY*(4)C9 1411 0.000795085 - 1.804486967
244 RY*(5)C9 1412 0.000501085 - 2.344234067
245 RY*(6)C9 1413 0.000450011 - 2.114228631
246 RY*(7)C9 1414 0.000294077 - 1.602959505
247 RY*(8)C9 1415 0.000189853 - 2.213999134
248 RY*(9)C9 1416 0.000104066 - 2.074671250
249 RY*(10)C9 1417 0.000055902 - 2.734086546
250 RY*(11)C9 1418 0.000050551 - 2.696878690
251 RY*(12)C9 1419 0.000056544 - 1.470322999
252 RY*(13)C9 1420 0.000018415 - 2.213707329
253 RY*(14)C9 1421 0.000022961 - 2.168516757
254 RY*(15)C9 1422 0.000022161 - 1.083531428
255 RY*(16)C9 1423 0.000002880 - 3.530489692
256 RY*(17)C9 1424 0.000006224 - 2.795444664
257 RY*(18)C9 1425 0.000003176 - 17.577103296
258 RY*(19)C9 1426 0.000009417 - 2.837193129
259 RY*(20)C9 1427 0.000012531 - 2.757137748
260 RY*(21)C9 1428 0.000003030 - 3.351878448
261 RY*(22)C9 1429 0.000000934 - 3.415168236
262 RY*(1)H10 1430 0.000646028 - 1.722478761
263 RY*(2)H10 1431 0.000214883 - 1.912373649
264 RY*(3)H10 1432 0.000153487 - 1.917185573
265 RY*(4)H10 1433 0.000052165 - 2.840130085
266 RY*(5)H10 1434 0.000050206 - 2.412300752
267 RY*(1)H11 1435 0.000544793 - 1.141956279
268 RY*(2)H11 1436 0.000212311 - 1.932696739
269 RY*(3)H11 1437 0.000165241 - 2.104459163
270 RY*(4)H11 1438 0.000051214 - 2.624571146
271 RY*(5)H11 1439 0.000047489 - 2.675903293
272 RY*(1)H12 1440 0.000445444 - 1.175564916
273 RY*(2)H12 1441 0.000218458 - 1.923107326
274 RY*(3)H12 1442 0.000170755 - 2.117631211
275 RY*(4)H12 1443 0.000043506 - 2.634631142
276 RY*(5)H12 1444 0.000047921 - 2.591857235
277 RY*(1)H13 1445 0.000546910 - 1.165675685
278 RY*(2)H13 1446 0.000213770 - 1.923199493
279 RY*(3)H13 1447 0.000161147 - 2.102763922
280 RY*(4)H13 1448 0.000046419 - 2.700396291
281 RY*(5)H13 1449 0.000052706 - 2.602086876
282 RY*(1)H14 1450 0.000634012 - 1.621094169
283 RY*(2)H14 1451 0.000229196 - 1.969926965
284 RY*(3)H14 1452 0.000146989 - 1.847897636
285 RY*(4)H14 1453 0.000051527 - 2.558114137
286 RY*(5)H14 1454 0.000053881 - 2.783830596
287 RY*(1)C15 1455 0.008224081 - 1.243984119
288 RY*(2)C15 1456 0.004921694 - 1.181653069
289 RY*(3)C15 1457 0.003175606 - 0.786531919
290 RY*(4)C15 1458 0.002138346 - 0.979519844
291 RY*(5)C15 1459 0.001313179 - 1.959482526
292 RY*(6)C15 1460 0.001159871 - 1.001777086
293 RY*(7)C15 1461 0.000944172 - 1.468707000
294 RY*(8)C15 1462 0.000742838 - 1.119827566
295 RY*(9)C15 1463 0.000541381 - 3.179441713
296 RY*(10)C15 1464 0.000419968 - 2.764294889
297 RY*(11)C15 1465 0.000327120 - 1.912297925
298 RY*(12)C15 1466 0.000284441 - 1.741937991
299 RY*(13)C15 1467 0.000159741 - 3.017467011
300 RY*(14)C15 1468 0.000107063 - 2.925600368
301 RY*(15)C15 1469 0.000088752 - 2.780609383
302 RY*(16)C15 1470 0.000095697 - 2.828047133
303 RY*(17)C15 1471 0.000046183 - 2.855006179
304 RY*(18)C15 1472 0.000054177 - 4.730893654
305 RY*(19)C15 1473 0.000021068 - 17.888240749
306 RY*(20)C15 1474 0.000028572 - 3.055883760
307 RY*(21)C15 1475 0.000008681 - 2.996466918
308 RY*(22)C15 1476 0.000005094 - 3.660384539
309 RY*(1)C16 1477 0.006557299 - 1.382190333
310 RY*(2)C16 1478 0.002583338 - 1.131572110
311 RY*(3)C16 1479 0.001249804 - 0.689940103
312 RY*(4)C16 1480 0.000774729 - 2.002238773
313 RY*(5)C16 1481 0.000489232 - 1.955541912
314 RY*(6)C16 1482 0.000399013 - 2.539761575
315 RY*(7)C16 1483 0.000282366 - 1.981344920
316 RY*(8)C16 1484 0.000186885 - 2.030047826
317 RY*(9)C16 1485 0.000087451 - 2.483469920
318 RY*(10)C16 1486 0.000040796 - 1.943278848
319 RY*(11)C16 1487 0.000027919 - 1.985064891
320 RY*(12)C16 1488 0.000037910 - 3.371657672
321 RY*(13)C16 1489 0.000033551 - 1.697199048
322 RY*(14)C16 1490 0.000014079 - 2.467836013
323 RY*(15)C16 1491 0.000004775 - 13.462314833
324 RY*(16)C16 1492 0.000011817 - 2.908125897
325 RY*(17)C16 1493 0.000000539 - 3.410929249
326 RY*(18)C16 1494 0.000004914 - 5.889929222
327 RY*(19)C16 1495 0.000007497 - 3.686737214
328 RY*(20)C16 1496 0.000008247 - 2.940600752
329 RY*(21)C16 1497 0.000010419 - 2.301458599
330 RY*(22)C16 1498 0.000009005 - 1.968612151
331 RY*(1)C17 1499 0.006433340 - 1.265330134
332 RY*(2)C17 1500 0.002120078 - 1.319793485
333 RY*(3)C17 1501 0.001167072 - 0.446753191
334 RY*(4)C17 1502 0.000757903 - 1.975899910
335 RY*(5)C17 1503 0.000478894 - 1.954142282
336 RY*(6)C17 1504 0.000412287 - 2.738222581
337 RY*(7)C17 1505 0.000135141 - 1.970189443
338 RY*(8)C17 1506 0.000075878 - 2.511850659
339 RY*(9)C17 1507 0.000084329 - 4.071048578
340 RY*(10)C17 1508 0.000042097 - 2.708007796
341 RY*(11)C17 1509 0.000044518 - 0.896531048
342 RY*(12)C17 1510 0.000024200 - 1.359029009
343 RY*(13)C17 1511 0.000018283 - 2.983869030
344 RY*(14)C17 1512 0.000010088 - 1.120719891
345 RY*(15)C17 1513 0.000003510 - 1.375847872
346 RY*(16)C17 1514 0.000001743 - 2.159964368
347 RY*(17)C17 1515 0.000001353 - 18.255741910
348 RY*(18)C17 1516 0.000001432 - 2.751480715
349 RY*(19)C17 1517 0.000001186 - 2.637432671
350 RY*(20)C17 1518 0.000003100 - 3.542440013
351 RY*(21)C17 1519 0.000009952 - 1.890251863
352 RY*(22)C17 1520 0.000010506 - 2.900460573
353 RY*(1)C18 1521 0.006279186 - 1.280791122
354 RY*(2)C18 1522 0.002183542 - 1.338270750
355 RY*(3)C18 1523 0.001289936 - 0.413192865
356 RY*(4)C18 1524 0.000814166 - 1.878644468
357 RY*(5)C18 1525 0.000590136 - 1.575598104
358 RY*(6)C18 1526 0.000373469 - 2.972852566
359 RY*(7)C18 1527 0.000131301 - 1.558960889
360 RY*(8)C18 1528 0.000107134 - 3.898298082
361 RY*(9)C18 1529 0.000050990 - 2.755353414
362 RY*(10)C18 1530 0.000031102 - 2.419578416
363 RY*(11)C18 1531 0.000029929 - 0.945288003
364 RY*(12)C18 1532 0.000007221 - 2.763413394
365 RY*(13)C18 1533 0.000002971 - 1.519302251
366 RY*(14)C18 1534 0.000011522 - 1.935020218
367 RY*(15)C18 1535 0.000006262 - 2.655759544
368 RY*(16)C18 1536 0.000001302 - 1.467655452
369 RY*(17)C18 1537 0.000009902 - 2.007856145
370 RY*(18)C18 1538 0.000000958 - 2.764067823
371 RY*(19)C18 1539 0.000000842 - 2.830988380
372 RY*(20)C18 1540 0.000004973 - 3.174213706
373 RY*(21)C18 1541 0.000002446 - 17.769974627
374 RY*(22)C18 1542 0.000010036 - 2.629569527
375 RY*(1)C19 1543 0.006460057 - 1.257404730
376 RY*(2)C19 1544 0.002139971 - 1.297838487
377 RY*(3)C19 1545 0.001312239 - 0.446955784
378 RY*(4)C19 1546 0.000766702 - 2.020304785
379 RY*(5)C19 1547 0.000397219 - 2.730183108
380 RY*(6)C19 1548 0.000406206 - 1.961838027
381 RY*(7)C19 1549 0.000143935 - 2.153199584
382 RY*(8)C19 1550 0.000091878 - 3.623268516
383 RY*(9)C19 1551 0.000049102 - 1.163783024
384 RY*(10)C19 1552 0.000043641 - 3.215306023
385 RY*(11)C19 1553 0.000046974 - 1.460917624
386 RY*(12)C19 1554 0.000049879 - 1.773013223
387 RY*(13)C19 1555 0.000017799 - 3.535891916
388 RY*(14)C19 1556 0.000004091 - 2.119456649
389 RY*(15)C19 1557 0.000007925 - 1.394460891
390 RY*(16)C19 1558 0.000002930 - 2.899715682
391 RY*(17)C19 1559 0.000008211 - 1.677003053
392 RY*(18)C19 1560 0.000002984 - 2.678265211
393 RY*(19)C19 1561 0.000009043 - 1.044442216
394 RY*(20)C19 1562 0.000002145 - 3.204112979
395 RY*(21)C19 1563 0.000004359 - 3.244757795
396 RY*(22)C19 1564 0.000002118 - 17.803048884
397 RY*(1)C20 1565 0.005797611 - 1.438827873
398 RY*(2)C20 1566 0.001904346 - 1.300768909
399 RY*(3)C20 1567 0.001148019 - 0.800482894
400 RY*(4)C20 1568 0.000881241 - 1.913703443
401 RY*(5)C20 1569 0.000568180 - 1.700309982
402 RY*(6)C20 1570 0.000466890 - 2.396894056
403 RY*(7)C20 1571 0.000258932 - 1.689384038
404 RY*(8)C20 1572 0.000171313 - 2.185015974
405 RY*(9)C20 1573 0.000089272 - 1.587200664
406 RY*(10)C20 1574 0.000094959 - 1.836676964
407 RY*(11)C20 1575 0.000056177 - 3.156918448
408 RY*(12)C20 1576 0.000027191 - 3.271050718
409 RY*(13)C20 1577 0.000025554 - 2.471236590
410 RY*(14)C20 1578 0.000023618 - 1.245517571
411 RY*(15)C20 1579 0.000028564 - 1.729720235
412 RY*(16)C20 1580 0.000006081 - 2.994947795
413 RY*(17)C20 1581 0.000008842 - 2.436310040
414 RY*(18)C20 1582 0.000002692 - 19.538477333
415 RY*(19)C20 1583 0.000008779 - 1.573123440
416 RY*(20)C20 1584 0.000004832 - 3.317519779
417 RY*(21)C20 1585 0.000005376 - 3.078742078
418 RY*(22)C20 1586 0.000008758 - 2.756749898
419 RY*(1)H21 1587 0.001371043 - 0.741636173
420 RY*(2)H21 1588 0.000253445 - 2.459844363
421 RY*(3)H21 1589 0.000212414 - 1.997295598
422 RY*(4)H21 1590 0.000044589 - 2.849341909
423 RY*(5)H21 1591 0.000053556 - 2.751653432
424 RY*(1)H22 1592 0.000572222 - 1.154877025
425 RY*(2)H22 1593 0.000212160 - 1.930683060
426 RY*(3)H22 1594 0.000161543 - 2.076570759
427 RY*(4)H22 1595 0.000049095 - 2.589168678
428 RY*(5)H22 1596 0.000045458 - 2.789539954
429 RY*(1)H23 1597 0.000488287 - 1.175211159
430 RY*(2)H23 1598 0.000221056 - 1.928078698
431 RY*(3)H23 1599 0.000169488 - 2.117891759
432 RY*(4)H23 1600 0.000042598 - 2.666479824
433 RY*(5)H23 1601 0.000047909 - 2.574342884
434 RY*(1)H24 1602 0.000485602 - 1.192671005
435 RY*(2)H24 1603 0.000215945 - 1.935598085
436 RY*(3)H24 1604 0.000177118 - 2.095866181
437 RY*(4)H24 1605 0.000047982 - 2.672162559
438 RY*(5)H24 1606 0.000048348 - 2.612702683
439 RY*(1)H25 1607 0.000568475 - 1.683687507
440 RY*(2)H25 1608 0.000208023 - 1.997731179
441 RY*(3)H25 1609 0.000164805 - 1.835624172
442 RY*(4)H25 1610 0.000055366 - 2.646943674
443 RY*(5)H25 1611 0.000058746 - 2.739661794
444 RY*(1)C26 1612 0.004713383 - 0.858531194
445 RY*(2)C26 1613 0.004471968 - 0.893790280
446 RY*(3)C26 1614 0.002832028 - 0.862373082
447 RY*(4)C26 1615 0.000952239 - 1.247356813
448 RY*(5)C26 1616 0.000467522 - 1.873302125
449 RY*(6)C26 1617 0.000338654 - 1.591768518
450 RY*(7)C26 1618 0.000256649 - 2.064737635
451 RY*(8)C26 1619 0.000189733 - 1.832376093
452 RY*(9)C26 1620 0.000168303 - 2.624216137
453 RY*(10)C26 1621 0.000139965 - 2.437818575
454 RY*(11)C26 1622 0.000103289 - 2.330549950
455 RY*(12)C26 1623 0.000100121 - 1.990095989
456 RY*(13)C26 1624 0.000067108 - 3.046888016
457 RY*(14)C26 1625 0.000045944 - 2.395420079
458 RY*(15)C26 1626 0.000041032 - 3.201893319
459 RY*(16)C26 1627 0.000016176 - 2.635400309
460 RY*(17)C26 1628 0.000023944 - 3.004015760
461 RY*(18)C26 1629 0.000004898 - 3.574146047
462 RY*(19)C26 1630 0.000010328 - 2.453563813
463 RY*(20)C26 1631 0.000001256 - 21.167916242
464 RY*(21)C26 1632 0.000010385 - 1.300113491
465 RY*(22)C26 1633 0.000006342 - 2.935128603
466 RY*(1)C27 1634 0.004550243 - 0.850268465
467 RY*(2)C27 1635 0.003985271 - 0.878588979
468 RY*(3)C27 1636 0.002933711 - 0.894442366
469 RY*(4)C27 1637 0.000990389 - 1.191257056
470 RY*(5)C27 1638 0.000451199 - 1.525198653
471 RY*(6)C27 1639 0.000357510 - 1.892934121
472 RY*(7)C27 1640 0.000302765 - 1.752452645
473 RY*(8)C27 1641 0.000184503 - 1.343974754
474 RY*(9)C27 1642 0.000159744 - 2.024735673
475 RY*(10)C27 1643 0.000140208 - 3.509650698
476 RY*(11)C27 1644 0.000113729 - 0.941939173
477 RY*(12)C27 1645 0.000079296 - 2.314502905
478 RY*(13)C27 1646 0.000059643 - 3.451430040
479 RY*(14)C27 1647 0.000028102 - 3.061069572
480 RY*(15)C27 1648 0.000036864 - 1.227553122
481 RY*(16)C27 1649 0.000025660 - 1.991831786
482 RY*(17)C27 1650 0.000012973 - 1.107193754
483 RY*(18)C27 1651 0.000008304 - 3.121875398
484 RY*(19)C27 1652 0.000012483 - 2.584227754
485 RY*(20)C27 1653 0.000000998 - 22.585241713
486 RY*(21)C27 1654 0.000004327 - 3.425109794
487 RY*(22)C27 1655 0.000008248 - 3.367596065
488 RY*(1)C28 1656 0.009835749 - 0.878090546
489 RY*(2)C28 1657 0.006217114 - 1.149073901
490 RY*(3)C28 1658 0.003960685 - 1.157445359
491 RY*(4)C28 1659 0.001534615 - 2.024869575
492 RY*(5)C28 1660 0.001363537 - 1.928171050
493 RY*(6)C28 1661 0.001118978 - 2.071291602
494 RY*(7)C28 1662 0.000797652 - 1.405114237
495 RY*(8)C28 1663 0.000705979 - 2.795628930
496 RY*(9)C28 1664 0.000542853 - 3.063067491
497 RY*(10)C28 1665 0.000358558 - 2.133485395
498 RY*(11)C28 1666 0.000304937 - 2.344736943
499 RY*(12)C28 1667 0.000180274 - 1.895653066
500 RY*(13)C28 1668 0.000132730 - 2.910625518
501 RY*(14)C28 1669 0.000085456 - 2.775962856
502 RY*(15)C28 1670 0.000046390 - 2.888942536
503 RY*(16)C28 1671 0.000011939 - 1.892510133
504 RY*(17)C28 1672 0.000018804 - 3.666734899
505 RY*(18)C28 1673 0.000013306 - 2.362456426
506 RY*(19)C28 1674 0.000016345 - 7.432423663
507 RY*(20)C28 1675 0.000011342 - 3.221399637
508 RY*(21)C28 1676 0.000004808 - 2.052016144
509 RY*(22)C28 1677 0.000003353 - 15.259491309
510 RY*(1)C29 1678 0.003335336 - 0.779744074
511 RY*(2)C29 1679 0.001769044 - 0.772978439
512 RY*(3)C29 1680 0.001041319 - 0.742559833
513 RY*(4)C29 1681 0.000341353 - 1.222802546
514 RY*(5)C29 1682 0.000304748 - 1.275897660
515 RY*(6)C29 1683 0.000203268 - 1.040776851
516 RY*(7)C29 1684 0.000140723 - 1.732595709
517 RY*(8)C29 1685 0.000110328 - 1.782801550
518 RY*(9)C29 1686 0.000077043 - 1.380147921
519 RY*(10)C29 1687 0.000040787 - 1.304475885
520 RY*(11)C29 1688 0.000016090 - 1.297706284
521 RY*(12)C29 1689 0.000006277 - 2.882431693
522 RY*(13)C29 1690 0.000006506 - 2.275070170
523 RY*(14)C29 1691 0.000002266 - 3.288719078
524 RY*(15)C29 1692 0.000000302 - 22.260236612
525 RY*(16)C29 1693 0.000001442 - 3.312921403
526 RY*(17)C29 1694 0.000006388 - 1.167360585
527 RY*(18)C29 1695 0.000002015 - 3.258237075
528 RY*(19)C29 1696 0.000009445 - 2.198190898
529 RY*(20)C29 1697 0.000004293 - 3.302338034
530 RY*(21)C29 1698 0.000003568 - 1.069873163
531 RY*(22)C29 1699 0.000006414 - 3.237335359
532 RY*(1)H30 1700 0.001143113 - 1.143323290
533 RY*(2)H30 1701 0.000147968 - 1.966380430
534 RY*(3)H30 1702 0.000120924 - 2.219221568
535 RY*(4)H30 1703 0.000123606 - 2.040070101
536 RY*(5)H30 1704 0.000032818 - 2.518348392
537 RY*(1)H31 1705 0.000870164 - 1.005742740
538 RY*(2)H31 1706 0.000162911 - 2.008196325
539 RY*(3)H31 1707 0.000103738 - 2.303598765
540 RY*(4)H31 1708 0.000099878 - 2.041001811
541 RY*(5)H31 1709 0.000027161 - 2.599490760
542 RY*(1)H32 1710 0.000856382 - 1.014752769
543 RY*(2)H32 1711 0.000155632 - 1.981449933
544 RY*(3)H32 1712 0.000107345 - 2.214010391
545 RY*(4)H32 1713 0.000105699 - 2.086341965
546 RY*(5)H32 1714 0.000027708 - 2.649525880
547 RY*(1)O33 1715 0.004021619 - 0.957565476
548 RY*(2)O33 1716 0.002535725 - 0.765728140
549 RY*(3)O33 1717 0.001361852 - 1.176433796
550 RY*(4)O33 1718 0.001117913 - 0.692310164
551 RY*(5)O33 1719 0.000451878 - 1.568903230
552 RY*(6)O33 1720 0.000396501 - 1.370320424
553 RY*(7)O33 1721 0.000201694 - 1.912613465
554 RY*(8)O33 1722 0.000115213 - 2.120340298
555 RY*(9)O33 1723 0.000088239 - 3.507354514
556 RY*(10)O33 1724 0.000084859 - 2.037417980
557 RY*(11)O33 1725 0.000032026 - 3.148167405
558 RY*(12)O33 1726 0.000034491 - 2.537959121
559 RY*(13)O33 1727 0.000037093 - 4.134109907
560 RY*(14)O33 1728 0.000009988 - 5.042153194
561 RY*(15)O33 1729 0.000000165 - 49.066147540
562 RY*(16)O33 1730 0.000001150 - 6.483338687
563 RY*(17)O33 1731 0.000001501 - 4.936890029
564 RY*(18)O33 1732 0.000009127 - 5.120669948
565 RY*(19)O33 1733 0.000005818 - 4.368535580
566 RY*(20)O33 1734 0.000006273 - 6.251741147
567 RY*(21)O33 1735 0.000007509 - 4.634261908
568 RY*(22)O33 1736 0.000002219 - 6.373597266
569 RY*(1)C34 1737 0.003751955 - 0.835907568
570 RY*(2)C34 1738 0.002555100 - 1.065434015
571 RY*(3)C34 1739 0.001784637 - 1.253962150
572 RY*(4)C34 1740 0.000842721 - 1.411934365
573 RY*(5)C34 1741 0.000467233 - 1.394317855
574 RY*(6)C34 1742 0.000389176 - 1.579491334
575 RY*(7)C34 1743 0.000278301 - 1.516713798
576 RY*(8)C34 1744 0.000153165 - 2.159415060
577 RY*(9)C34 1745 0.000107724 - 2.018640571
578 RY*(10)C34 1746 0.000079641 - 2.140158646
579 RY*(11)C34 1747 0.000041350 - 1.999015956
580 RY*(12)C34 1748 0.000025920 - 2.175687172
581 RY*(13)C34 1749 0.000023001 - 1.632651274
582 RY*(14)C34 1750 0.000003939 - 2.266855642
583 RY*(15)C34 1751 0.000000896 - 22.369369985
584 RY*(16)C34 1752 0.000008179 - 1.863440312
585 RY*(17)C34 1753 0.000004181 - 2.388180534
586 RY*(18)C34 1754 0.000003243 - 2.704953594
587 RY*(19)C34 1755 0.000008210 - 1.110732979
588 RY*(20)C34 1756 0.000001228 - 3.605059136
589 RY*(21)C34 1757 0.000003882 - 1.626400415
590 RY*(22)C34 1758 0.000006045 - 2.966657867
591 RY*(1)C35 1759 0.003635141 - 0.842546018
592 RY*(2)C35 1760 0.002457675 - 1.066783364
593 RY*(3)C35 1761 0.001923910 - 1.359582622
594 RY*(4)C35 1762 0.000748698 - 1.612305526
595 RY*(5)C35 1763 0.000473698 - 1.342644510
596 RY*(6)C35 1764 0.000410446 - 1.601469347
597 RY*(7)C35 1765 0.000255424 - 1.453874073
598 RY*(8)C35 1766 0.000167891 - 2.185113624
599 RY*(9)C35 1767 0.000123620 - 2.390912437
600 RY*(10)C35 1768 0.000071658 - 1.283659928
601 RY*(11)C35 1769 0.000066508 - 2.116712616
602 RY*(12)C35 1770 0.000024244 - 1.836469683
603 RY*(13)C35 1771 0.000024652 - 2.088833071
604 RY*(14)C35 1772 0.000003684 - 2.851369326
605 RY*(15)C35 1773 0.000000535 - 22.482863628
606 RY*(16)C35 1774 0.000002099 - 3.128357102
607 RY*(17)C35 1775 0.000003421 - 2.441025804
608 RY*(18)C35 1776 0.000004800 - 2.121838844
609 RY*(19)C35 1777 0.000004496 - 2.092338067
610 RY*(20)C35 1778 0.000002356 - 2.756579698
611 RY*(21)C35 1779 0.000007869 - 1.786181179
612 RY*(22)C35 1780 0.000003607 - 1.270833036
613 RY*(1)O36 1781 0.004068903 - 0.863414165
614 RY*(2)O36 1782 0.002215798 - 0.912293964
615 RY*(3)O36 1783 0.001372976 - 0.991300350
616 RY*(4)O36 1784 0.000908123 - 0.950174279
617 RY*(5)O36 1785 0.000564980 - 1.523792883
618 RY*(6)O36 1786 0.000405519 - 1.403550665
619 RY*(7)O36 1787 0.000215365 - 1.783140420
620 RY*(8)O36 1788 0.000117476 - 2.339852169
621 RY*(9)O36 1789 0.000102461 - 2.795847405
622 RY*(10)O36 1790 0.000060900 - 2.137553715
623 RY*(11)O36 1791 0.000040236 - 3.810765475
624 RY*(12)O36 1792 0.000029612 - 3.199223574
625 RY*(13)O36 1793 0.000016786 - 4.131984672
626 RY*(14)O36 1794 0.000001145 - 6.721708626
627 RY*(15)O36 1795 0.000011092 - 4.816366936
628 RY*(16)O36 1796 0.000003323 - 4.988189098
629 RY*(17)O36 1797 0.000004141 - 4.634626450
630 RY*(18)O36 1798 0.000003273 - 5.783391300
631 RY*(19)O36 1799 0.000002146 - 4.567179601
632 RY*(20)O36 1800 0.000003582 - 6.101147698
633 RY*(21)O36 1801 0.000009935 - 4.447954125
634 RY*(22)O36 1802 0.000000131 - 49.183380723
635 RY*(1)H37 1803 0.000787577 - 0.765859519
636 RY*(2)H37 1804 0.000243418 - 2.093681571
637 RY*(3)H37 1805 0.000098212 - 2.172191971
638 RY*(4)H37 1806 0.000049574 - 2.215666409
639 RY*(5)H37 1807 0.000036456 - 2.968743815
640 RY*(1)H38 1808 0.001464547 - 0.781772167
641 RY*(2)H38 1809 0.000273474 - 2.065114495
642 RY*(3)H38 1810 0.000107208 - 2.302332582
643 RY*(4)H38 1811 0.000072248 - 2.302615092
644 RY*(5)H38 1812 0.000047283 - 2.779895560
645 RY*(1)H39 1813 0.001543899 - 0.831362648
646 RY*(2)H39 1814 0.000317178 - 2.040446572
647 RY*(3)H39 1815 0.000099481 - 2.175558651
648 RY*(4)H39 1816 0.000062588 - 2.387499674
649 RY*(5)H39 1817 0.000047182 - 2.785593633
650 RY*(1)H40 1818 0.001079855 - 0.624571500
651 RY*(2)H40 1819 0.000285531 - 2.146922123
652 RY*(3)H40 1820 0.000093205 - 2.171166640
653 RY*(4)H40 1821 0.000044407 - 2.663537589
654 RY*(5)H40 1822 0.000046515 - 2.528266537
655 RY*(1)H41 1823 0.000873074 - 1.472228531
656 RY*(2)H41 1824 0.000197293 - 2.107591450
657 RY*(3)H41 1825 0.000150670 - 2.198491004
658 RY*(4)H41 1826 0.000084533 - 2.270860634
659 RY*(5)H41 1827 0.000031875 - 2.725669232
660 RY*(1)H42 1828 0.000989018 - 1.408693238
661 RY*(2)H42 1829 0.000297836 - 1.843007227
662 RY*(3)H42 1830 0.000161864 - 2.314218173
663 RY*(4)H42 1831 0.000096611 - 2.259253591
664 RY*(5)H42 1832 0.000047280 - 2.938866052
665 RY*(1)H43 1833 0.001446218 - 1.567042796
666 RY*(2)H43 1834 0.000243840 - 1.768070632
667 RY*(3)H43 1835 0.000178108 - 2.391515359
668 RY*(4)H43 1836 0.000117565 - 2.245929835
669 RY*(5)H43 1837 0.000042306 - 2.918857664
670 RY*(1)H44 1838 0.002200612 - 0.703420731
671 RY*(2)H44 1839 0.000280474 - 2.359027548
672 RY*(3)H44 1840 0.000184899 - 2.435501567
673 RY*(4)H44 1841 0.000091378 - 2.403259244
674 RY*(5)H44 1842 0.000045479 - 2.992778186
675 BD*(1)C1-O2 0.037469469 - 0.268703076
676 BD*(1)C1-C4 0.045335800 - 0.394594309
677 BD*(1)C1-C15 0.044442482 - 0.397609961
678 BD*(1)C1-C26 0.035594273 - 0.370557668
679 BD*(1)O2-H3 0.007076182 - 0.428033361
680 BD*(1)C4-C5 0.024333852 - 0.572111290
681 BD*(2)C4-C5 0.344556183 - 0.035291337
682 BD*(1)C4-C9 0.023520552 - 0.566604957
683 BD*(1)C5-C6 0.016174301 - 0.571177679
684 BD*(1)C5-H14 0.015291757 - 0.441312745
685 BD*(1)C6-C7 0.016327964 - 0.577589379
686 BD*(2)C6-C7 0.324817514 - 0.031173153
687 BD*(1)C6-H13 0.014060833 - 0.433417982
688 BD*(1)C7-C8 0.016690233 - 0.571229678
689 BD*(1)C7-H12 0.014178195 - 0.436157292
690 BD*(1)C8-C9 0.015396792 - 0.580688095
691 BD*(2)C8-C9 0.306278493 - 0.035484469
692 BD*(1)C8-H11 0.014234160 - 0.435870406
693 BD*(1)C9-H10 0.014827203 - 0.449331572
694 BD*(1)C15-C16 0.024081742 - 0.579306355
695 BD*(2)C15-C16 0.335779334 - 0.045222968
696 BD*(1)C15-C20 0.023168598 - 0.574924150
697 BD*(1)C16-C17 0.015910041 - 0.580735404
698 BD*(1)C16-H25 0.014893321 - 0.460482652
699 BD*(1)C17-C18 0.016579660 - 0.582534503
700 BD*(2)C17-C18 0.329622698 - 0.037267931
701 BD*(1)C17-H24 0.014161906 - 0.441306263
702 BD*(1)C18-C19 0.016521361 - 0.577292750
703 BD*(1)C18-H23 0.014228327 - 0.441290820
704 BD*(1)C19-C20 0.015611665 - 0.582310435
705 BD*(2)C19-C20 0.323331142 - 0.037685743
706 BD*(1)C19-H22 0.013933031 - 0.439639925
707 BD*(1)C20-H21 0.015587233 - 0.441557496
708 BD*(1)C26-C27 0.012531042 - 0.402111924
709 BD*(1)C26-H43 0.016170927 - 0.406521714
710 BD*(1)C26-H44 0.015336210 - 0.415120426
711 BD*(1)C27-C28 0.037303256 - 0.390199501
712 BD*(1)C27-H41 0.013627570 - 0.410662349
713 BD*(1)C27-H42 0.013680185 - 0.412501835
714 BD*(1)C28-C29 0.038643733 - 0.373824450
715 BD*(1)C28-O33 0.071649398 - 0.264607472
716 BD*(1)C28-O36 0.063676257 - 0.276000517
717 BD*(1)C29-H30 0.005384211 - 0.404336770
718 BD*(1)C29-H31 0.006711146 - 0.404761836
719 BD*(1)C29-H32 0.006007548 - 0.404953713
720 BD*(1)O33-C34 0.016636024 - 0.289381777
721 BD*(1)C34-C35 0.024998989 - 0.354940229
722 BD*(1)C34-H39 0.029323352 - 0.378105500
723 BD*(1)C34-H40 0.019034215 - 0.384704933
724 BD*(1)C35-O36 0.017702856 - 0.288143998
725 BD*(1)C35-H37 0.015696696 - 0.386096792
726 BD*(1)C35-H38 0.029800710 - 0.374585624

Quote

SILVERMAN'S PARADOX - IF MURPHY'S LAW CAN GO WRONG, IT WILL.