WebMO Job Summary

384981: C14H12O3N2 imine p-a o-n C1, Natural Bond Orbitals - Gaussian

Calculated Quantities

Expand all

Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)
Method B3LYP
Stoichiometry C14H12N2O3
Symmetry C1
Basis 6-311+G(2d,p)
RB3LYP Energy -876.029377795 Hartree
Dipole Moment 4.4494 Debye
Server class (386564)
CPU time 2741.8 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 0.9761566 0.03256107931
b 0.1489909 0.00496980148
c 0.1306118 0.00435674069

Partial Charges

Atom Symbol Charge
1 C -0.146454  
2 O -0.438035  
3 C 0.317245  
4 C -0.437029  
5 C 0.138982  
6 C 0.282609  
7 C -0.331027  
8 C 0.034387  
9 H 0.087757  
10 H 0.091628  
11 N -0.172034  
12 C -0.544645  
13 C 1.489318  
14 C -0.262750  
15 C -0.313181  
16 C -0.128655  
17 C -0.329343  
18 C -0.185444  
19 H 0.132761  
20 H 0.097895  
21 H 0.097941  
22 H 0.130341  
23 N -0.023648  
24 O -0.133345  
25 O -0.163333  
26 H 0.100014  
27 H 0.104989  
28 H 0.095398  
29 H 0.138569  
30 H 0.134015  
31 H 0.135075  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -19.16885
2 - 2 - -19.1687
3 - 2 - -19.16602
4 - 2 - -14.56263
5 - 2 - -14.32528
6 - 2 - -10.25105
7 - 2 - -10.24368
8 - 2 - -10.23289
9 - 2 - -10.22836
10 - 2 - -10.22184
11 - 2 - -10.20881
12 - 2 - -10.20879
13 - 2 - -10.20462
14 - 2 - -10.20405
15 - 2 - -10.19968
16 - 2 - -10.18382
17 - 2 - -10.18259
18 - 2 - -10.18177
19 - 2 - -10.17895
20 - 2 - -1.24397
21 - 2 - -1.0802
22 - 2 - -1.07046
23 - 2 - -0.95225
24 - 2 - -0.90338
25 - 2 - -0.86038
26 - 2 - -0.82009
27 - 2 - -0.79711
28 - 2 - -0.76811
29 - 2 - -0.75669
30 - 2 - -0.72356
31 - 2 - -0.70699
32 - 2 - -0.66589
33 - 2 - -0.62925
34 - 2 - -0.62725
35 - 2 - -0.60703
36 - 2 - -0.58603
37 - 2 - -0.56188
38 - 2 - -0.55401
39 - 2 - -0.54742
40 - 2 - -0.5306
41 - 2 - -0.52292
42 - 2 - -0.51643
43 - 2 - -0.49961
44 - 2 - -0.48208
45 - 2 - -0.47789
46 - 2 - -0.46742
47 - 2 - -0.46017
48 - 2 - -0.45573
49 - 2 - -0.43616
50 - 2 - -0.42981
51 - 2 - -0.41611
52 - 2 - -0.41299
53 - 2 - -0.40391
54 - 2 - -0.39478
55 - 2 - -0.38383
56 - 2 - -0.37671
57 - 2 - -0.36797
58 - 2 - -0.34287
59 - 2 - -0.33056
60 - 2 - -0.32958
61 - 2 - -0.3236
62 - 2 - -0.31617
63 - 2 - -0.28798
64 - 2 - -0.28415
65 - 2 - -0.27542
66 - 2 - -0.26786
67 - 2 - -0.2205
68 - 0 - -0.10579
69 - 0 - -0.07581
70 - 0 - -0.02831
71 - 0 - -0.02401
72 - 0 - -0.00981
73 - 0 - -0.00332
74 - 0 - -0.00095
75 - 0 - 0.01534
76 - 0 - 0.01601
77 - 0 - 0.02264
78 - 0 - 0.02576
79 - 0 - 0.0312
80 - 0 - 0.03404
81 - 0 - 0.03816
82 - 0 - 0.04279
83 - 0 - 0.046
84 - 0 - 0.05091
85 - 0 - 0.05348
86 - 0 - 0.05915
87 - 0 - 0.0653
88 - 0 - 0.07364
89 - 0 - 0.07724
90 - 0 - 0.08302
91 - 0 - 0.08731
92 - 0 - 0.09136
93 - 0 - 0.0926
94 - 0 - 0.10324
95 - 0 - 0.10957
96 - 0 - 0.11051
97 - 0 - 0.11421
98 - 0 - 0.11693
99 - 0 - 0.12447
100 - 0 - 0.12867
101 - 0 - 0.1309
102 - 0 - 0.1331
103 - 0 - 0.13882
104 - 0 - 0.14021
105 - 0 - 0.14334
106 - 0 - 0.14542
107 - 0 - 0.14659
108 - 0 - 0.14853
109 - 0 - 0.1522
110 - 0 - 0.15866
111 - 0 - 0.16305
112 - 0 - 0.16364
113 - 0 - 0.16817
114 - 0 - 0.17346
115 - 0 - 0.17687
116 - 0 - 0.17835
117 - 0 - 0.18594
118 - 0 - 0.18778
119 - 0 - 0.1901
120 - 0 - 0.19258
121 - 0 - 0.19616
122 - 0 - 0.19893
123 - 0 - 0.20017
124 - 0 - 0.20506
125 - 0 - 0.20668
126 - 0 - 0.21042
127 - 0 - 0.21351
128 - 0 - 0.21379
129 - 0 - 0.21651
130 - 0 - 0.22206
131 - 0 - 0.22616
132 - 0 - 0.22737
133 - 0 - 0.23095
134 - 0 - 0.23474
135 - 0 - 0.24099
136 - 0 - 0.2451
137 - 0 - 0.2474
138 - 0 - 0.24892
139 - 0 - 0.25138
140 - 0 - 0.25542
141 - 0 - 0.26139
142 - 0 - 0.2634
143 - 0 - 0.2678
144 - 0 - 0.27402
145 - 0 - 0.27455
146 - 0 - 0.27712
147 - 0 - 0.28069
148 - 0 - 0.28556
149 - 0 - 0.28956
150 - 0 - 0.29552
151 - 0 - 0.3002
152 - 0 - 0.30297
153 - 0 - 0.30589
154 - 0 - 0.30855
155 - 0 - 0.31084
156 - 0 - 0.31517
157 - 0 - 0.32441
158 - 0 - 0.3266
159 - 0 - 0.33048
160 - 0 - 0.33501
161 - 0 - 0.34183
162 - 0 - 0.34694
163 - 0 - 0.34889
164 - 0 - 0.35035
165 - 0 - 0.35373
166 - 0 - 0.362
167 - 0 - 0.37104
168 - 0 - 0.37469
169 - 0 - 0.38033
170 - 0 - 0.39391
171 - 0 - 0.40191
172 - 0 - 0.40586
173 - 0 - 0.41423
174 - 0 - 0.42219
175 - 0 - 0.427
176 - 0 - 0.43285
177 - 0 - 0.43695
178 - 0 - 0.45221
179 - 0 - 0.47243
180 - 0 - 0.4794
181 - 0 - 0.48199
182 - 0 - 0.49063
183 - 0 - 0.49917
184 - 0 - 0.50079
185 - 0 - 0.51022
186 - 0 - 0.51391
187 - 0 - 0.51834
188 - 0 - 0.52274
189 - 0 - 0.52287
190 - 0 - 0.52986
191 - 0 - 0.53118
192 - 0 - 0.5328
193 - 0 - 0.54244
194 - 0 - 0.55227
195 - 0 - 0.55911
196 - 0 - 0.56798
197 - 0 - 0.57029
198 - 0 - 0.58394
199 - 0 - 0.5854
200 - 0 - 0.59046
201 - 0 - 0.5927
202 - 0 - 0.59462
203 - 0 - 0.5989
204 - 0 - 0.60491
205 - 0 - 0.60833
206 - 0 - 0.61573
207 - 0 - 0.6189
208 - 0 - 0.6289
209 - 0 - 0.63318
210 - 0 - 0.63764
211 - 0 - 0.63927
212 - 0 - 0.64384
213 - 0 - 0.65115
214 - 0 - 0.65689
215 - 0 - 0.66577
216 - 0 - 0.67203
217 - 0 - 0.6783
218 - 0 - 0.68529
219 - 0 - 0.69031
220 - 0 - 0.69193
221 - 0 - 0.70221
222 - 0 - 0.709
223 - 0 - 0.71553
224 - 0 - 0.71693
225 - 0 - 0.72575
226 - 0 - 0.72928
227 - 0 - 0.73739
228 - 0 - 0.74135
229 - 0 - 0.74341
230 - 0 - 0.75004
231 - 0 - 0.75917
232 - 0 - 0.76399
233 - 0 - 0.7677
234 - 0 - 0.77536
235 - 0 - 0.78011
236 - 0 - 0.78266
237 - 0 - 0.79325
238 - 0 - 0.80061
239 - 0 - 0.80715
240 - 0 - 0.81696
241 - 0 - 0.81912
242 - 0 - 0.82363
243 - 0 - 0.83093
244 - 0 - 0.83523
245 - 0 - 0.84099
246 - 0 - 0.84442
247 - 0 - 0.84687
248 - 0 - 0.85131
249 - 0 - 0.85837
250 - 0 - 0.86655
251 - 0 - 0.87702
252 - 0 - 0.88426
253 - 0 - 0.88915
254 - 0 - 0.89274
255 - 0 - 0.89982
256 - 0 - 0.90664
257 - 0 - 0.91626
258 - 0 - 0.92349
259 - 0 - 0.92894
260 - 0 - 0.94503
261 - 0 - 0.94919
262 - 0 - 0.9595
263 - 0 - 0.97286
264 - 0 - 0.98111
265 - 0 - 0.98472
266 - 0 - 0.99533
267 - 0 - 1.00286
268 - 0 - 1.01394
269 - 0 - 1.0253
270 - 0 - 1.04208
271 - 0 - 1.04821
272 - 0 - 1.05218
273 - 0 - 1.06367
274 - 0 - 1.06958
275 - 0 - 1.0855
276 - 0 - 1.09077
277 - 0 - 1.11187
278 - 0 - 1.11553
279 - 0 - 1.12645
280 - 0 - 1.13873
281 - 0 - 1.1462
282 - 0 - 1.15109
283 - 0 - 1.15533
284 - 0 - 1.16108
285 - 0 - 1.1716
286 - 0 - 1.17613
287 - 0 - 1.17907
288 - 0 - 1.19463
289 - 0 - 1.19838
290 - 0 - 1.20826
291 - 0 - 1.22006
292 - 0 - 1.22394
293 - 0 - 1.23373
294 - 0 - 1.23973
295 - 0 - 1.2484
296 - 0 - 1.25664
297 - 0 - 1.26166
298 - 0 - 1.27121
299 - 0 - 1.28549
300 - 0 - 1.29556
301 - 0 - 1.30703
302 - 0 - 1.31218
303 - 0 - 1.32207
304 - 0 - 1.32541
305 - 0 - 1.32996
306 - 0 - 1.3403
307 - 0 - 1.34525
308 - 0 - 1.34993
309 - 0 - 1.36446
310 - 0 - 1.36997
311 - 0 - 1.38269
312 - 0 - 1.39752
313 - 0 - 1.40288
314 - 0 - 1.41176
315 - 0 - 1.42398
316 - 0 - 1.43067
317 - 0 - 1.43377
318 - 0 - 1.45735
319 - 0 - 1.48046
320 - 0 - 1.48352
321 - 0 - 1.49919
322 - 0 - 1.51116
323 - 0 - 1.52088
324 - 0 - 1.53703
325 - 0 - 1.53798
326 - 0 - 1.54393
327 - 0 - 1.55327
328 - 0 - 1.57411
329 - 0 - 1.58162
330 - 0 - 1.59413
331 - 0 - 1.60152
332 - 0 - 1.61342
333 - 0 - 1.62815
334 - 0 - 1.6386
335 - 0 - 1.64804
336 - 0 - 1.65365
337 - 0 - 1.66229
338 - 0 - 1.66791
339 - 0 - 1.67887
340 - 0 - 1.70213
341 - 0 - 1.71489
342 - 0 - 1.71814
343 - 0 - 1.73123
344 - 0 - 1.74749
345 - 0 - 1.75899
346 - 0 - 1.77224
347 - 0 - 1.78395
348 - 0 - 1.79174
349 - 0 - 1.80387
350 - 0 - 1.82845
351 - 0 - 1.83751
352 - 0 - 1.84826
353 - 0 - 1.8506
354 - 0 - 1.8776
355 - 0 - 1.88046
356 - 0 - 1.89624
357 - 0 - 1.92442
358 - 0 - 1.933
359 - 0 - 1.9626
360 - 0 - 1.97186
361 - 0 - 1.98274
362 - 0 - 1.99962
363 - 0 - 2.01983
364 - 0 - 2.04252
365 - 0 - 2.06319
366 - 0 - 2.08921
367 - 0 - 2.1151
368 - 0 - 2.14585
369 - 0 - 2.15764
370 - 0 - 2.17384
371 - 0 - 2.17894
372 - 0 - 2.19857
373 - 0 - 2.23267
374 - 0 - 2.23647
375 - 0 - 2.24344
376 - 0 - 2.28586
377 - 0 - 2.28799
378 - 0 - 2.29667
379 - 0 - 2.32179
380 - 0 - 2.35332
381 - 0 - 2.36214
382 - 0 - 2.38568
383 - 0 - 2.39051
384 - 0 - 2.39926
385 - 0 - 2.49098
386 - 0 - 2.50788
387 - 0 - 2.5121
388 - 0 - 2.54249
389 - 0 - 2.55495
390 - 0 - 2.59579
391 - 0 - 2.61673
392 - 0 - 2.62006
393 - 0 - 2.62588
394 - 0 - 2.62643
395 - 0 - 2.63521
396 - 0 - 2.64342
397 - 0 - 2.65678
398 - 0 - 2.66953
399 - 0 - 2.6705
400 - 0 - 2.67538
401 - 0 - 2.70128
402 - 0 - 2.74193
403 - 0 - 2.74404
404 - 0 - 2.75071
405 - 0 - 2.76627
406 - 0 - 2.78012
407 - 0 - 2.78403
408 - 0 - 2.80422
409 - 0 - 2.81029
410 - 0 - 2.82002
411 - 0 - 2.83581
412 - 0 - 2.84378
413 - 0 - 2.85142
414 - 0 - 2.87196
415 - 0 - 2.89115
416 - 0 - 2.89788
417 - 0 - 2.91169
418 - 0 - 2.92028
419 - 0 - 2.94658
420 - 0 - 2.9686
421 - 0 - 2.98622
422 - 0 - 3.02081
423 - 0 - 3.03651
424 - 0 - 3.05082
425 - 0 - 3.09124
426 - 0 - 3.09591
427 - 0 - 3.10363
428 - 0 - 3.10866
429 - 0 - 3.11498
430 - 0 - 3.12413
431 - 0 - 3.12952
432 - 0 - 3.13462
433 - 0 - 3.14598
434 - 0 - 3.17173
435 - 0 - 3.1811
436 - 0 - 3.19953
437 - 0 - 3.20812
438 - 0 - 3.23382
439 - 0 - 3.25122
440 - 0 - 3.27091
441 - 0 - 3.27456
442 - 0 - 3.27912
443 - 0 - 3.28554
444 - 0 - 3.30153
445 - 0 - 3.30532
446 - 0 - 3.31219
447 - 0 - 3.32074
448 - 0 - 3.34608
449 - 0 - 3.34785
450 - 0 - 3.35682
451 - 0 - 3.36504
452 - 0 - 3.37151
453 - 0 - 3.38354
454 - 0 - 3.394
455 - 0 - 3.4136
456 - 0 - 3.42071
457 - 0 - 3.42875
458 - 0 - 3.44621
459 - 0 - 3.45823
460 - 0 - 3.4636
461 - 0 - 3.48299
462 - 0 - 3.48547
463 - 0 - 3.49664
464 - 0 - 3.5051
465 - 0 - 3.52838
466 - 0 - 3.53625
467 - 0 - 3.54261
468 - 0 - 3.55324
469 - 0 - 3.57407
470 - 0 - 3.57857
471 - 0 - 3.58264
472 - 0 - 3.58673
473 - 0 - 3.59841
474 - 0 - 3.605
475 - 0 - 3.60931
476 - 0 - 3.61749
477 - 0 - 3.62976
478 - 0 - 3.63814
479 - 0 - 3.64436
480 - 0 - 3.65421
481 - 0 - 3.6617
482 - 0 - 3.68441
483 - 0 - 3.71873
484 - 0 - 3.73528
485 - 0 - 3.74413
486 - 0 - 3.75244
487 - 0 - 3.76589
488 - 0 - 3.77236
489 - 0 - 3.78197
490 - 0 - 3.78852
491 - 0 - 3.81431
492 - 0 - 3.82813
493 - 0 - 3.84446
494 - 0 - 3.85223
495 - 0 - 3.86022
496 - 0 - 3.86878
497 - 0 - 3.9082
498 - 0 - 3.91304
499 - 0 - 3.92534
500 - 0 - 3.92934
501 - 0 - 3.95183
502 - 0 - 3.95908
503 - 0 - 3.96478
504 - 0 - 3.96975
505 - 0 - 4.01756
506 - 0 - 4.02257
507 - 0 - 4.04897
508 - 0 - 4.0774
509 - 0 - 4.11054
510 - 0 - 4.12653
511 - 0 - 4.14368
512 - 0 - 4.16164
513 - 0 - 4.16662
514 - 0 - 4.24059
515 - 0 - 4.26199
516 - 0 - 4.33984
517 - 0 - 4.34556
518 - 0 - 4.4104
519 - 0 - 4.52865
520 - 0 - 4.54383
521 - 0 - 4.56686
522 - 0 - 4.5988
523 - 0 - 4.6586
524 - 0 - 4.69201
525 - 0 - 4.77307
526 - 0 - 4.80108
527 - 0 - 4.82067
528 - 0 - 4.84513
529 - 0 - 4.86437
530 - 0 - 4.9003
531 - 0 - 5.00993
532 - 0 - 5.02705
533 - 0 - 5.03347
534 - 0 - 5.04194
535 - 0 - 5.06472
536 - 0 - 5.07583
537 - 0 - 5.11171
538 - 0 - 5.13882
539 - 0 - 5.16364
540 - 0 - 5.27029
541 - 0 - 5.28956
542 - 0 - 5.31975
543 - 0 - 5.40931
544 - 0 - 5.42816
545 - 0 - 5.4966
546 - 0 - 5.54485
547 - 0 - 5.75738
548 - 0 - 5.89918
549 - 0 - 5.96024
550 - 0 - 6.31037
551 - 0 - 6.74605
552 - 0 - 6.78882
553 - 0 - 6.80725
554 - 0 - 6.82538
555 - 0 - 6.93598
556 - 0 - 6.97753
557 - 0 - 6.98338
558 - 0 - 7.03029
559 - 0 - 7.03729
560 - 0 - 7.07531
561 - 0 - 7.14491
562 - 0 - 7.25126
563 - 0 - 7.26436
564 - 0 - 7.44258
565 - 0 - 7.51181
566 - 0 - 23.65019
567 - 0 - 23.71814
568 - 0 - 23.93895
569 - 0 - 23.98687
570 - 0 - 23.99831
571 - 0 - 24.01627
572 - 0 - 24.03679
573 - 0 - 24.06525
574 - 0 - 24.10729
575 - 0 - 24.11318
576 - 0 - 24.13003
577 - 0 - 24.15299
578 - 0 - 24.16822
579 - 0 - 24.23211
580 - 0 - 35.56951
581 - 0 - 35.73424
582 - 0 - 49.9336
583 - 0 - 50.01832
584 - 0 - 50.04203
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C -0.20251  
2 O -0.54204  
3 C 0.33109  
4 C -0.23023  
5 C -0.19611  
6 C 0.09174  
7 C -0.16366  
8 C -0.28684  
9 H 0.21265  
10 H 0.21441  
11 N -0.43439  
12 C 0.11839  
13 C -0.08166  
14 C 0.09645  
15 C -0.18558  
16 C -0.18867  
17 C -0.17341  
18 C -0.15687  
19 H 0.23515  
20 H 0.21214  
21 H 0.21444  
22 H 0.23921  
23 N 0.49417  
24 O -0.37837  
25 O -0.38518  
26 H 0.17941  
27 H 0.21438  
28 H 0.22025  
29 H 0.19132  
30 H 0.17005  
31 H 0.17026  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.999251765 - -10.109059909
2 C1 Val(2S) 1.080764974 - -0.282196571
3 C1 Ryd(4S) 0.001878857 - 0.897555653
4 C1 Ryd(3S) 0.000040492 - 0.873274184
5 C1 Ryd(5S) 0.000003370 - 23.300056596
6 C1 Val(2p) 0.941572414 - -0.106090032
7 C1 Ryd(3p) 0.002078534 - 0.812686412
8 C1 Ryd(4p) 0.000234109 - 0.938614488
9 C1 Ryd(5p) 0.000048496 - 2.208918854
10 C1 Val(2p) 0.998486878 - -0.103315260
11 C1 Ryd(3p) 0.003181099 - 0.666098654
12 C1 Ryd(4p) 0.000243457 - 0.966998772
13 C1 Ryd(5p) 0.000033795 - 2.277358745
14 C1 Val(2p) 1.168416967 - -0.119563411
15 C1 Ryd(3p) 0.000452350 - 0.627525596
16 C1 Ryd(4p) 0.000490015 - 0.880493429
17 C1 Ryd(5p) 0.000039044 - 2.257215457
18 C1 Ryd(4d) 0.001070733 - 2.910912171
19 C1 Ryd(3d) 0.000119407 - 2.608922971
20 C1 Ryd(4d) 0.000708004 - 2.444522816
21 C1 Ryd(3d) 0.000221891 - 2.404443340
22 C1 Ryd(4d) 0.001100602 - 2.649180039
23 C1 Ryd(3d) 0.000069640 - 2.410670374
24 C1 Ryd(3d) 0.001011773 - 2.513628470
25 C1 Ryd(4d) 0.000118064 - 2.583795804
26 C1 Ryd(4d) 0.000735314 - 2.681718568
27 C1 Ryd(3d) 0.000142695 - 2.636961012
28 O2 Cor(1S) 1.999706929 - -18.963571524
29 O2 Val(2S) 1.588657713 - -0.874774338
30 O2 Ryd(3S) 0.002589814 - 1.378926969
31 O2 Ryd(4S) 0.000041978 - 1.408320441
32 O2 Ryd(5S) 0.000000431 - 49.317956562
33 O2 Val(2p) 1.386637070 - -0.318906592
34 O2 Ryd(4p) 0.001855437 - 1.030399774
35 O2 Ryd(3p) 0.000906751 - 0.902314045
36 O2 Ryd(5p) 0.000044043 - 5.048663271
37 O2 Val(2p) 1.715526002 - -0.337658867
38 O2 Ryd(3p) 0.003950863 - 0.806026686
39 O2 Ryd(4p) 0.000625635 - 0.901717013
40 O2 Ryd(5p) 0.000066370 - 5.146374748
41 O2 Val(2p) 1.825841245 - -0.321892325
42 O2 Ryd(3p) 0.003210240 - 0.595821961
43 O2 Ryd(4p) 0.000334520 - 0.727600571
44 O2 Ryd(5p) 0.000004307 - 4.948394422
45 O2 Ryd(3d) 0.003693506 - 2.131872206
46 O2 Ryd(4d) 0.000060962 - 7.123269042
47 O2 Ryd(3d) 0.000384725 - 1.743718667
48 O2 Ryd(4d) 0.000075374 - 6.910953321
49 O2 Ryd(3d) 0.002758794 - 1.605947368
50 O2 Ryd(4d) 0.000027662 - 6.830253534
51 O2 Ryd(3d) 0.002766305 - 1.931589193
52 O2 Ryd(4d) 0.000105963 - 7.028863476
53 O2 Ryd(3d) 0.002151816 - 1.783416217
54 O2 Ryd(4d) 0.000013592 - 6.899669780
55 C3 Cor(1S) 1.998781650 - -10.109299133
56 C3 Val(2S) 0.825509198 - -0.137584932
57 C3 Ryd(3S) 0.000759498 - 1.292442009
58 C3 Ryd(4S) 0.000092031 - 4.077716537
59 C3 Ryd(5S) 0.000018960 - 17.620289036
60 C3 Val(2p) 0.785006376 - -0.039592685
61 C3 Ryd(4p) 0.006746738 - 1.193106192
62 C3 Ryd(3p) 0.000180715 - 0.960493141
63 C3 Ryd(5p) 0.000087055 - 3.149516399
64 C3 Val(2p) 1.061138437 - -0.064954787
65 C3 Ryd(4p) 0.005941581 - 1.286410529
66 C3 Ryd(3p) 0.000212262 - 0.687165940
67 C3 Ryd(5p) 0.000152321 - 2.880958019
68 C3 Val(2p) 0.976568431 - -0.121935295
69 C3 Ryd(4p) 0.000830669 - 0.644975039
70 C3 Ryd(3p) 0.000214581 - 0.556233085
71 C3 Ryd(5p) 0.000068831 - 2.612731253
72 C3 Ryd(3d) 0.000858539 - 2.663306690
73 C3 Ryd(4d) 0.000616802 - 3.604147751
74 C3 Ryd(3d) 0.001292363 - 2.083316445
75 C3 Ryd(4d) 0.000095072 - 2.570298082
76 C3 Ryd(3d) 0.000493343 - 2.079878879
77 C3 Ryd(4d) 0.000186629 - 2.623796925
78 C3 Ryd(3d) 0.000958150 - 2.655946244
79 C3 Ryd(4d) 0.000684812 - 3.436903346
80 C3 Ryd(3d) 0.000901076 - 2.343720715
81 C3 Ryd(4d) 0.000509138 - 2.817679633
82 C4 Cor(1S) 1.999061431 - -10.031384689
83 C4 Val(2S) 0.946371668 - -0.168803231
84 C4 Ryd(3S) 0.001505414 - 1.357496577
85 C4 Ryd(4S) 0.000075627 - 1.734418927
86 C4 Ryd(5S) 0.000009343 - 20.422796331
87 C4 Val(2p) 1.073708180 - -0.057460229
88 C4 Ryd(4p) 0.004992343 - 1.062503097
89 C4 Ryd(3p) 0.000295497 - 0.798979672
90 C4 Ryd(5p) 0.000144415 - 3.151129164
91 C4 Val(2p) 1.159668536 - -0.067759020
92 C4 Ryd(4p) 0.005670875 - 1.199824449
93 C4 Ryd(3p) 0.000195157 - 0.628912052
94 C4 Ryd(5p) 0.000090968 - 3.212784711
95 C4 Val(2p) 1.031367496 - -0.112728582
96 C4 Ryd(4p) 0.001283164 - 0.572481533
97 C4 Ryd(3p) 0.000408579 - 0.431007386
98 C4 Ryd(5p) 0.000025799 - 2.716264389
99 C4 Ryd(3d) 0.000957930 - 2.112668216
100 C4 Ryd(4d) 0.000470947 - 3.670555624
101 C4 Ryd(3d) 0.000304392 - 1.375717365
102 C4 Ryd(4d) 0.000184682 - 3.206787890
103 C4 Ryd(3d) 0.000692514 - 1.282744981
104 C4 Ryd(4d) 0.000053451 - 3.154981506
105 C4 Ryd(3d) 0.000608963 - 2.146392655
106 C4 Ryd(4d) 0.000571324 - 3.676296089
107 C4 Ryd(3d) 0.001451691 - 1.759674311
108 C4 Ryd(4d) 0.000056654 - 3.386761537
109 C5 Cor(1S) 1.999056822 - -10.035280303
110 C5 Val(2S) 0.945361688 - -0.166702402
111 C5 Ryd(3S) 0.001289983 - 1.388529982
112 C5 Ryd(4S) 0.000076794 - 4.918073902
113 C5 Ryd(5S) 0.000011548 - 17.287184387
114 C5 Val(2p) 1.119290536 - -0.060966471
115 C5 Ryd(4p) 0.003397383 - 1.225626531
116 C5 Ryd(3p) 0.000235526 - 0.623039515
117 C5 Ryd(5p) 0.000115634 - 3.459393540
118 C5 Val(2p) 1.108015231 - -0.056164935
119 C5 Ryd(4p) 0.004443176 - 1.063700523
120 C5 Ryd(3p) 0.000313508 - 0.579609835
121 C5 Ryd(5p) 0.000114904 - 3.428059287
122 C5 Val(2p) 1.007912520 - -0.113165834
123 C5 Ryd(4p) 0.000882746 - 0.599739988
124 C5 Ryd(3p) 0.000424237 - 0.381551306
125 C5 Ryd(5p) 0.000025803 - 2.840315571
126 C5 Ryd(3d) 0.000729222 - 2.212835033
127 C5 Ryd(4d) 0.000796525 - 3.640748901
128 C5 Ryd(3d) 0.000453246 - 1.427220706
129 C5 Ryd(4d) 0.000135823 - 3.082071567
130 C5 Ryd(3d) 0.000469036 - 1.464784568
131 C5 Ryd(4d) 0.000076377 - 3.095222072
132 C5 Ryd(3d) 0.000929487 - 2.159742069
133 C5 Ryd(4d) 0.000249044 - 3.576480159
134 C5 Ryd(3d) 0.001248220 - 1.870914638
135 C5 Ryd(4d) 0.000052658 - 3.306901068
136 C6 Cor(1S) 1.998917429 - -10.067851090
137 C6 Val(2S) 0.839114368 - -0.120405471
138 C6 Ryd(3S) 0.001163703 - 1.221825625
139 C6 Ryd(4S) 0.000108057 - 3.682289117
140 C6 Ryd(5S) 0.000013483 - 18.288996565
141 C6 Val(2p) 0.929990425 - -0.041590681
142 C6 Ryd(4p) 0.007936644 - 1.252806887
143 C6 Ryd(3p) 0.000211793 - 0.756655622
144 C6 Ryd(5p) 0.000106106 - 3.395799670
145 C6 Val(2p) 1.078070412 - -0.064287298
146 C6 Ryd(4p) 0.005858759 - 1.262465996
147 C6 Ryd(3p) 0.000456760 - 0.579661421
148 C6 Ryd(5p) 0.000150208 - 3.327588488
149 C6 Val(2p) 1.038253459 - -0.111286163
150 C6 Ryd(4p) 0.001549975 - 0.628956851
151 C6 Ryd(3p) 0.000421553 - 0.423798675
152 C6 Ryd(5p) 0.000075123 - 2.764257554
153 C6 Ryd(3d) 0.000779263 - 2.374410855
154 C6 Ryd(4d) 0.000868486 - 3.765230336
155 C6 Ryd(3d) 0.000728819 - 1.658058642
156 C6 Ryd(4d) 0.000103206 - 3.058414093
157 C6 Ryd(3d) 0.000274085 - 1.693763634
158 C6 Ryd(4d) 0.000227971 - 3.033040644
159 C6 Ryd(3d) 0.000628932 - 2.241380534
160 C6 Ryd(4d) 0.000957708 - 3.613826064
161 C6 Ryd(3d) 0.001028271 - 2.013322114
162 C6 Ryd(4d) 0.000261590 - 3.247728492
163 C7 Cor(1S) 1.999068758 - -10.033526847
164 C7 Val(2S) 0.942956233 - -0.164942203
165 C7 Ryd(3S) 0.001431917 - 1.408529232
166 C7 Ryd(4S) 0.000110242 - 1.810211013
167 C7 Ryd(5S) 0.000010799 - 20.408338456
168 C7 Val(2p) 1.059759311 - -0.049914237
169 C7 Ryd(4p) 0.005012181 - 0.981529499
170 C7 Ryd(3p) 0.000439395 - 0.679374904
171 C7 Ryd(5p) 0.000137426 - 3.442622583
172 C7 Val(2p) 1.159357153 - -0.061671628
173 C7 Ryd(4p) 0.005932632 - 1.167554731
174 C7 Ryd(3p) 0.000251707 - 0.425435942
175 C7 Ryd(5p) 0.000106911 - 3.450716476
176 C7 Val(2p) 0.982457517 - -0.110973016
177 C7 Ryd(4p) 0.001116713 - 0.558420292
178 C7 Ryd(3p) 0.000422005 - 0.349653392
179 C7 Ryd(5p) 0.000045079 - 2.812708147
180 C7 Ryd(3d) 0.000856962 - 2.063280681
181 C7 Ryd(4d) 0.000496061 - 3.622998799
182 C7 Ryd(3d) 0.000302344 - 1.429977487
183 C7 Ryd(4d) 0.000182898 - 3.152925471
184 C7 Ryd(3d) 0.000496001 - 1.329163680
185 C7 Ryd(4d) 0.000058203 - 3.081058609
186 C7 Ryd(3d) 0.000653549 - 2.222780007
187 C7 Ryd(4d) 0.000585095 - 3.668298144
188 C7 Ryd(3d) 0.001343464 - 1.831890970
189 C7 Ryd(4d) 0.000073577 - 3.365345013
190 C8 Cor(1S) 1.999043328 - -10.034906000
191 C8 Val(2S) 0.945291242 - -0.171253962
192 C8 Ryd(3S) 0.001105973 - 1.370680560
193 C8 Ryd(4S) 0.000078655 - 1.844384296
194 C8 Ryd(5S) 0.000016067 - 20.431603473
195 C8 Val(2p) 1.127398934 - -0.069209708
196 C8 Ryd(4p) 0.003250681 - 1.177529888
197 C8 Ryd(3p) 0.000442714 - 0.656123702
198 C8 Ryd(5p) 0.000129048 - 3.374738037
199 C8 Val(2p) 1.121130456 - -0.066963209
200 C8 Ryd(4p) 0.004338480 - 1.091617431
201 C8 Ryd(3p) 0.000358537 - 0.675055667
202 C8 Ryd(5p) 0.000124350 - 3.328346430
203 C8 Val(2p) 1.076495210 - -0.121256483
204 C8 Ryd(4p) 0.001742442 - 0.534803724
205 C8 Ryd(3p) 0.000572527 - 0.372317836
206 C8 Ryd(5p) 0.000031125 - 2.803957899
207 C8 Ryd(3d) 0.000777438 - 2.191847849
208 C8 Ryd(4d) 0.000823778 - 3.656703583
209 C8 Ryd(3d) 0.000330413 - 1.352304841
210 C8 Ryd(4d) 0.000148770 - 3.117801023
211 C8 Ryd(3d) 0.000560298 - 1.388218045
212 C8 Ryd(4d) 0.000057722 - 3.129251387
213 C8 Ryd(3d) 0.000901040 - 2.175849663
214 C8 Ryd(4d) 0.000256939 - 3.636513306
215 C8 Ryd(3d) 0.001391131 - 1.830853952
216 C8 Ryd(4d) 0.000039234 - 3.350312727
217 H9 Val(1S) 0.785665291 - 0.037807386
218 H9 Ryd(2S) 0.000830760 - 1.175315717
219 H9 Ryd(3S) 0.000145303 - 1.828384789
220 H9 Ryd(2p) 0.000197021 - 2.753464713
221 H9 Ryd(2p) 0.000261669 - 2.768775333
222 H9 Ryd(2p) 0.000253910 - 1.988870985
223 H10 Val(1S) 0.783769041 - 0.046711036
224 H10 Ryd(2S) 0.001019471 - 1.350914643
225 H10 Ryd(3S) 0.000144691 - 1.788075610
226 H10 Ryd(2p) 0.000081748 - 2.655710776
227 H10 Ryd(2p) 0.000382935 - 2.869684884
228 H10 Ryd(2p) 0.000190019 - 1.978445459
229 N11 Cor(1S) 1.999287256 - -14.132969684
230 N11 Val(2S) 1.351598397 - -0.514558307
231 N11 Ryd(4S) 0.003565497 - 1.780031553
232 N11 Ryd(3S) 0.000074899 - 1.011119204
233 N11 Ryd(5S) 0.000001650 - 35.263108060
234 N11 Val(2p) 1.222682293 - -0.174910107
235 N11 Ryd(4p) 0.002282673 - 1.463160144
236 N11 Ryd(3p) 0.000311441 - 0.980150448
237 N11 Ryd(5p) 0.000057688 - 4.519633420
238 N11 Val(2p) 1.640634523 - -0.229963007
239 N11 Ryd(3p) 0.007205378 - 0.831479488
240 N11 Ryd(4p) 0.000262358 - 1.088096369
241 N11 Ryd(5p) 0.000061989 - 4.384240734
242 N11 Val(2p) 1.188882726 - -0.194774975
243 N11 Ryd(3p) 0.001449218 - 0.619251350
244 N11 Ryd(4p) 0.000305967 - 0.774719044
245 N11 Ryd(5p) 0.000025651 - 3.945063051
246 N11 Ryd(3d) 0.003895296 - 2.118339822
247 N11 Ryd(4d) 0.000176151 - 5.229559840
248 N11 Ryd(3d) 0.000687098 - 1.476028835
249 N11 Ryd(4d) 0.000108395 - 5.013413273
250 N11 Ryd(3d) 0.003749304 - 1.376200160
251 N11 Ryd(4d) 0.000033061 - 4.929053913
252 N11 Ryd(3d) 0.003822009 - 1.709645452
253 N11 Ryd(4d) 0.000287832 - 5.198615614
254 N11 Ryd(3d) 0.002922959 - 1.566688525
255 N11 Ryd(4d) 0.000013354 - 4.999501585
256 C12 Cor(1S) 1.999132930 - -10.089536055
257 C12 Val(2S) 0.909591265 - -0.174471876
258 C12 Ryd(3S) 0.006418405 - 1.035986780
259 C12 Ryd(4S) 0.000119533 - 1.335273854
260 C12 Ryd(5S) 0.000011465 - 20.904165043
261 C12 Val(2p) 0.958694561 - -0.050470952
262 C12 Ryd(4p) 0.003554731 - 1.214684667
263 C12 Ryd(3p) 0.000248968 - 0.719614455
264 C12 Ryd(5p) 0.000173957 - 3.113836891
265 C12 Val(2p) 1.078679910 - -0.071292590
266 C12 Ryd(4p) 0.006084733 - 1.145174209
267 C12 Ryd(3p) 0.000327284 - 0.641326100
268 C12 Ryd(5p) 0.000123313 - 3.180667328
269 C12 Val(2p) 0.910521493 - -0.125109969
270 C12 Ryd(4p) 0.001676890 - 0.643860839
271 C12 Ryd(3p) 0.000674389 - 0.412806834
272 C12 Ryd(5p) 0.000134764 - 2.824099381
273 C12 Ryd(3d) 0.001014143 - 2.334919295
274 C12 Ryd(4d) 0.000411813 - 3.202109648
275 C12 Ryd(3d) 0.000663155 - 1.987306839
276 C12 Ryd(4d) 0.000055760 - 2.706462190
277 C12 Ryd(3d) 0.000620308 - 1.972645690
278 C12 Ryd(4d) 0.000215383 - 2.646552590
279 C12 Ryd(3d) 0.000917315 - 2.430388928
280 C12 Ryd(4d) 0.000517465 - 3.467250274
281 C12 Ryd(3d) 0.000849066 - 2.186241301
282 C12 Ryd(4d) 0.000181561 - 2.947045090
283 C13 Cor(1S) 1.998914755 - -10.073941370
284 C13 Val(2S) 0.892780624 - -0.168300273
285 C13 Ryd(4S) 0.001029419 - 1.184626810
286 C13 Ryd(3S) 0.000170094 - 0.878513195
287 C13 Ryd(5S) 0.000015391 - 21.286749583
288 C13 Val(2p) 1.082683635 - -0.092881713
289 C13 Ryd(4p) 0.007312257 - 1.408390837
290 C13 Ryd(3p) 0.000166406 - 0.736969644
291 C13 Ryd(5p) 0.000129029 - 3.631949197
292 C13 Val(2p) 1.097839391 - -0.092343422
293 C13 Ryd(4p) 0.005103952 - 1.359512277
294 C13 Ryd(3p) 0.000338968 - 0.678147946
295 C13 Ryd(5p) 0.000153170 - 3.575508775
296 C13 Val(2p) 0.987956786 - -0.134724463
297 C13 Ryd(4p) 0.001015198 - 0.598858373
298 C13 Ryd(3p) 0.000300358 - 0.448047329
299 C13 Ryd(5p) 0.000030603 - 2.811052558
300 C13 Ryd(3d) 0.000913466 - 2.198515387
301 C13 Ryd(4d) 0.000757221 - 3.686408098
302 C13 Ryd(3d) 0.000479638 - 1.192766275
303 C13 Ryd(4d) 0.000171090 - 3.423719960
304 C13 Ryd(3d) 0.000231501 - 1.194495349
305 C13 Ryd(4d) 0.000232425 - 3.393690259
306 C13 Ryd(3d) 0.000828958 - 2.461319189
307 C13 Ryd(4d) 0.000717211 - 3.730420062
308 C13 Ryd(3d) 0.001325725 - 2.031027220
309 C13 Ryd(4d) 0.000061410 - 3.543535011
310 C14 Cor(1S) 1.998702939 - -10.113699987
311 C14 Val(2S) 0.865594213 - -0.184059803
312 C14 Ryd(3S) 0.000647719 - 1.092693774
313 C14 Ryd(4S) 0.000276981 - 1.391809085
314 C14 Ryd(5S) 0.000017226 - 20.528113795
315 C14 Val(2p) 1.101367870 - -0.100126987
316 C14 Ryd(4p) 0.005558835 - 1.392225337
317 C14 Ryd(3p) 0.000407503 - 0.583846087
318 C14 Ryd(5p) 0.000169508 - 3.416504648
319 C14 Val(2p) 0.845348562 - -0.084853311
320 C14 Ryd(4p) 0.006672686 - 0.973652789
321 C14 Ryd(3p) 0.000201499 - 0.564171912
322 C14 Ryd(5p) 0.000113429 - 3.489908468
323 C14 Val(2p) 1.069496702 - -0.157384028
324 C14 Ryd(4p) 0.002332138 - 0.579539090
325 C14 Ryd(3p) 0.000390305 - 0.359940458
326 C14 Ryd(5p) 0.000056462 - 2.812706273
327 C14 Ryd(3d) 0.000631649 - 2.299366017
328 C14 Ryd(4d) 0.000614061 - 3.746782423
329 C14 Ryd(3d) 0.000383037 - 1.194358383
330 C14 Ryd(4d) 0.000244345 - 3.335687692
331 C14 Ryd(3d) 0.000521439 - 1.206213103
332 C14 Ryd(4d) 0.000138970 - 3.367229943
333 C14 Ryd(3d) 0.001072416 - 2.109711154
334 C14 Ryd(4d) 0.000767803 - 3.773868778
335 C14 Ryd(3d) 0.001626126 - 1.734740059
336 C14 Ryd(4d) 0.000197241 - 3.490146538
337 C15 Cor(1S) 1.999038150 - -10.058868868
338 C15 Val(2S) 0.948409909 - -0.193713651
339 C15 Ryd(4S) 0.001673333 - 1.103833091
340 C15 Ryd(3S) 0.000097087 - 0.953093259
341 C15 Ryd(5S) 0.000008504 - 21.447116530
342 C15 Val(2p) 1.126396101 - -0.088663374
343 C15 Ryd(4p) 0.005401962 - 0.984473237
344 C15 Ryd(3p) 0.000355795 - 0.393302247
345 C15 Ryd(5p) 0.000132654 - 3.429407328
346 C15 Val(2p) 1.127406911 - -0.087407125
347 C15 Ryd(4p) 0.005546616 - 1.137362098
348 C15 Ryd(3p) 0.000424160 - 0.466145255
349 C15 Ryd(5p) 0.000148766 - 3.488754735
350 C15 Val(2p) 0.963515346 - -0.136965135
351 C15 Ryd(4p) 0.001071365 - 0.519299398
352 C15 Ryd(3p) 0.000387407 - 0.310268795
353 C15 Ryd(5p) 0.000036501 - 2.776444752
354 C15 Ryd(3d) 0.000828879 - 2.048317437
355 C15 Ryd(4d) 0.000805317 - 3.689706309
356 C15 Ryd(3d) 0.000436772 - 1.245505478
357 C15 Ryd(4d) 0.000084131 - 3.152439905
358 C15 Ryd(3d) 0.000337424 - 1.243146893
359 C15 Ryd(4d) 0.000152807 - 3.149462860
360 C15 Ryd(3d) 0.000792214 - 2.074433563
361 C15 Ryd(4d) 0.000353257 - 3.647274142
362 C15 Ryd(3d) 0.001689181 - 1.744280994
363 C15 Ryd(4d) 0.000052475 - 3.417868754
364 C16 Cor(1S) 1.999151746 - -10.057496299
365 C16 Val(2S) 0.951352879 - -0.192909776
366 C16 Ryd(3S) 0.001098604 - 1.388395104
367 C16 Ryd(4S) 0.000117699 - 1.610596586
368 C16 Ryd(5S) 0.000008873 - 20.440453537
369 C16 Val(2p) 1.162821933 - -0.081892545
370 C16 Ryd(4p) 0.006240569 - 1.071622208
371 C16 Ryd(3p) 0.000269580 - 0.374962696
372 C16 Ryd(5p) 0.000067807 - 3.403872734
373 C16 Val(2p) 1.068398358 - -0.075448303
374 C16 Ryd(4p) 0.004713763 - 0.854966579
375 C16 Ryd(3p) 0.000442795 - 0.500577429
376 C16 Ryd(5p) 0.000180492 - 3.380244377
377 C16 Val(2p) 0.987295869 - -0.135288899
378 C16 Ryd(4p) 0.001129194 - 0.499030846
379 C16 Ryd(3p) 0.000301677 - 0.303685957
380 C16 Ryd(5p) 0.000026759 - 2.746207547
381 C16 Ryd(3d) 0.000812672 - 2.095741068
382 C16 Ryd(4d) 0.000570478 - 3.553299571
383 C16 Ryd(3d) 0.000374218 - 1.308287516
384 C16 Ryd(4d) 0.000053018 - 2.963305560
385 C16 Ryd(3d) 0.000261902 - 1.409626605
386 C16 Ryd(4d) 0.000126005 - 3.045210399
387 C16 Ryd(3d) 0.000768340 - 2.190601693
388 C16 Ryd(4d) 0.000669735 - 3.569673704
389 C16 Ryd(3d) 0.001349403 - 1.790774858
390 C16 Ryd(4d) 0.000069005 - 3.266608989
391 C17 Cor(1S) 1.999146174 - -10.056933506
392 C17 Val(2S) 0.952629443 - -0.192005411
393 C17 Ryd(3S) 0.001248417 - 1.184276117
394 C17 Ryd(4S) 0.000097253 - 1.754910725
395 C17 Ryd(5S) 0.000007799 - 20.515902179
396 C17 Val(2p) 1.064465099 - -0.072000623
397 C17 Ryd(4p) 0.004401439 - 0.812433850
398 C17 Ryd(3p) 0.000388356 - 0.501759987
399 C17 Ryd(5p) 0.000203078 - 3.403610161
400 C17 Val(2p) 1.171601700 - -0.080063292
401 C17 Ryd(4p) 0.006684713 - 1.107978051
402 C17 Ryd(3p) 0.000236328 - 0.384704708
403 C17 Ryd(5p) 0.000054578 - 3.454050385
404 C17 Val(2p) 0.966179791 - -0.133268584
405 C17 Ryd(4p) 0.000771886 - 0.506135946
406 C17 Ryd(3p) 0.000269744 - 0.320433517
407 C17 Ryd(5p) 0.000028271 - 2.723126682
408 C17 Ryd(3d) 0.000819470 - 2.087475434
409 C17 Ryd(4d) 0.000419873 - 3.492186641
410 C17 Ryd(3d) 0.000250601 - 1.463756639
411 C17 Ryd(4d) 0.000109128 - 3.003582023
412 C17 Ryd(3d) 0.000397564 - 1.353786632
413 C17 Ryd(4d) 0.000044518 - 2.901485769
414 C17 Ryd(3d) 0.000757167 - 2.276572639
415 C17 Ryd(4d) 0.000809376 - 3.576872350
416 C17 Ryd(3d) 0.001305958 - 1.851084670
417 C17 Ryd(4d) 0.000077804 - 3.229247222
418 C18 Cor(1S) 1.999076524 - -10.050692470
419 C18 Val(2S) 0.944395442 - -0.181462360
420 C18 Ryd(4S) 0.001312606 - 1.326373751
421 C18 Ryd(3S) 0.000128192 - 1.038077657
422 C18 Ryd(5S) 0.000014731 - 21.129467714
423 C18 Val(2p) 1.144672851 - -0.075719691
424 C18 Ryd(4p) 0.005326620 - 1.225882540
425 C18 Ryd(3p) 0.000360951 - 0.581396926
426 C18 Ryd(5p) 0.000107416 - 3.546815056
427 C18 Val(2p) 1.094374727 - -0.068983892
428 C18 Ryd(4p) 0.005181854 - 0.958065038
429 C18 Ryd(3p) 0.000377438 - 0.515775119
430 C18 Ryd(5p) 0.000132467 - 3.447861029
431 C18 Val(2p) 0.955268558 - -0.128892427
432 C18 Ryd(4p) 0.000618595 - 0.537529610
433 C18 Ryd(3p) 0.000410798 - 0.312282471
434 C18 Ryd(5p) 0.000023025 - 2.805102919
435 C18 Ryd(3d) 0.000726076 - 2.202063918
436 C18 Ryd(4d) 0.000714874 - 3.710704866
437 C18 Ryd(3d) 0.000410528 - 1.298714392
438 C18 Ryd(4d) 0.000103263 - 3.050394677
439 C18 Ryd(3d) 0.000323455 - 1.352384337
440 C18 Ryd(4d) 0.000087563 - 3.103382405
441 C18 Ryd(3d) 0.000877163 - 2.042848974
442 C18 Ryd(4d) 0.000402301 - 3.611441185
443 C18 Ryd(3d) 0.001368913 - 1.807444246
444 C18 Ryd(4d) 0.000072077 - 3.378845520
445 H19 Val(1S) 0.762618248 - 0.050797773
446 H19 Ryd(2S) 0.001434414 - 1.381071727
447 H19 Ryd(3S) 0.000156928 - 1.728729477
448 H19 Ryd(2p) 0.000296628 - 2.834140557
449 H19 Ryd(2p) 0.000172569 - 2.747756093
450 H19 Ryd(2p) 0.000174867 - 1.941487529
451 H20 Val(1S) 0.786536923 - 0.028919333
452 H20 Ryd(2S) 0.000516077 - 1.115349540
453 H20 Ryd(3S) 0.000154035 - 1.928525981
454 H20 Ryd(2p) 0.000056748 - 2.558256348
455 H20 Ryd(2p) 0.000395339 - 2.876895756
456 H20 Ryd(2p) 0.000197148 - 1.904092808
457 H21 Val(1S) 0.784352292 - 0.028228411
458 H21 Ryd(2S) 0.000409056 - 1.044871766
459 H21 Ryd(3S) 0.000156753 - 1.995948998
460 H21 Ryd(2p) 0.000356480 - 2.838356861
461 H21 Ryd(2p) 0.000085502 - 2.581911203
462 H21 Ryd(2p) 0.000201897 - 1.902635799
463 H22 Val(1S) 0.759052181 - 0.036688735
464 H22 Ryd(2S) 0.000930754 - 1.248257026
465 H22 Ryd(3S) 0.000167434 - 1.697004682
466 H22 Ryd(2p) 0.000232922 - 2.774066833
467 H22 Ryd(2p) 0.000228200 - 2.743998781
468 H22 Ryd(2p) 0.000179681 - 1.953571946
469 N23 Cor(1S) 1.999425826 - -14.416212037
470 N23 Val(2S) 1.092070906 - -0.540323073
471 N23 Ryd(4S) 0.004850154 - 1.247984720
472 N23 Ryd(3S) 0.000502032 - 0.845679311
473 N23 Ryd(5S) 0.000010471 - 35.294492038
474 N23 Val(2p) 1.050344802 - -0.297576539
475 N23 Ryd(4p) 0.012906053 - 1.021548704
476 N23 Ryd(3p) 0.000296442 - 0.707941330
477 N23 Ryd(5p) 0.000050865 - 4.289548049
478 N23 Val(2p) 1.200836234 - -0.313643635
479 N23 Ryd(4p) 0.010715448 - 0.965436201
480 N23 Ryd(3p) 0.001363965 - 0.674299967
481 N23 Ryd(5p) 0.000052063 - 4.297838945
482 N23 Val(2p) 1.110632291 - -0.314816045
483 N23 Ryd(4p) 0.006064985 - 0.769293205
484 N23 Ryd(3p) 0.000334965 - 0.564783488
485 N23 Ryd(5p) 0.000043243 - 3.941108252
486 N23 Ryd(3d) 0.002791222 - 2.302540671
487 N23 Ryd(4d) 0.000172855 - 4.873564597
488 N23 Ryd(3d) 0.002751007 - 2.160891918
489 N23 Ryd(4d) 0.000095155 - 4.644544958
490 N23 Ryd(3d) 0.001976079 - 1.973155019
491 N23 Ryd(4d) 0.000047848 - 4.587606807
492 N23 Ryd(3d) 0.003855473 - 2.198366411
493 N23 Ryd(4d) 0.000061104 - 4.808123922
494 N23 Ryd(3d) 0.003523338 - 1.926217128
495 N23 Ryd(4d) 0.000054452 - 4.547845300
496 O24 Cor(1S) 1.999792560 - -18.954833437
497 O24 Val(2S) 1.748802239 - -0.915284768
498 O24 Ryd(3S) 0.001631360 - 1.335642382
499 O24 Ryd(4S) 0.000150751 - 1.963961521
500 O24 Ryd(5S) 0.000000200 - 49.372455261
501 O24 Val(2p) 1.450102433 - -0.287503500
502 O24 Ryd(3p) 0.002159729 - 0.666553789
503 O24 Ryd(4p) 0.000134198 - 0.989074807
504 O24 Ryd(5p) 0.000043385 - 5.133375693
505 O24 Val(2p) 1.727648425 - -0.298118944
506 O24 Ryd(3p) 0.002500684 - 0.724012857
507 O24 Ryd(4p) 0.000148301 - 0.952814963
508 O24 Ryd(5p) 0.000022428 - 5.120471677
509 O24 Val(2p) 1.430262027 - -0.289581487
510 O24 Ryd(3p) 0.001662819 - 0.620900263
511 O24 Ryd(4p) 0.000173565 - 0.915807498
512 O24 Ryd(5p) 0.000025079 - 5.015103573
513 O24 Ryd(3d) 0.002932963 - 1.946439268
514 O24 Ryd(4d) 0.000024626 - 6.898362501
515 O24 Ryd(3d) 0.002655093 - 1.943188449
516 O24 Ryd(4d) 0.000027537 - 6.892310387
517 O24 Ryd(3d) 0.002147217 - 1.830106723
518 O24 Ryd(4d) 0.000015769 - 6.828693901
519 O24 Ryd(3d) 0.003069265 - 1.889917195
520 O24 Ryd(4d) 0.000038345 - 6.897539024
521 O24 Ryd(3d) 0.002178352 - 1.801975842
522 O24 Ryd(4d) 0.000017552 - 6.813822349
523 O25 Cor(1S) 1.999793281 - -18.956583146
524 O25 Val(2S) 1.749338106 - -0.916601610
525 O25 Ryd(3S) 0.001276870 - 1.368212272
526 O25 Ryd(4S) 0.000186055 - 1.983982441
527 O25 Ryd(5S) 0.000000232 - 49.402492854
528 O25 Val(2p) 1.385645340 - -0.285207972
529 O25 Ryd(3p) 0.001947857 - 0.685117728
530 O25 Ryd(4p) 0.000221835 - 1.209750346
531 O25 Ryd(5p) 0.000042926 - 5.200140701
532 O25 Val(2p) 1.793795014 - -0.302883520
533 O25 Ryd(3p) 0.002988792 - 0.693208559
534 O25 Ryd(4p) 0.000175746 - 0.980582249
535 O25 Ryd(5p) 0.000013036 - 5.149898164
536 O25 Val(2p) 1.434375605 - -0.291111096
537 O25 Ryd(3p) 0.001783791 - 0.605786330
538 O25 Ryd(4p) 0.000183499 - 0.939441708
539 O25 Ryd(5p) 0.000024639 - 5.053362852
540 O25 Ryd(3d) 0.002866250 - 1.935823291
541 O25 Ryd(4d) 0.000029788 - 6.921697635
542 O25 Ryd(3d) 0.003127720 - 1.973314106
543 O25 Ryd(4d) 0.000029567 - 6.923233642
544 O25 Ryd(3d) 0.001863816 - 1.776165966
545 O25 Ryd(4d) 0.000016803 - 6.812234740
546 O25 Ryd(3d) 0.003211939 - 1.886844883
547 O25 Ryd(4d) 0.000033582 - 6.897524908
548 O25 Ryd(3d) 0.002191753 - 1.790870887
549 O25 Ryd(4d) 0.000017789 - 6.826293504
550 H26 Val(1S) 0.816612756 - 0.016522903
551 H26 Ryd(2S) 0.003078646 - 0.599339388
552 H26 Ryd(3S) 0.000250499 - 2.234773735
553 H26 Ryd(2p) 0.000122786 - 2.561308424
554 H26 Ryd(2p) 0.000333572 - 2.866321324
555 H26 Ryd(2p) 0.000191048 - 2.054476830
556 H27 Val(1S) 0.783886564 - 0.046396719
557 H27 Ryd(2S) 0.000888938 - 1.389375584
558 H27 Ryd(3S) 0.000175438 - 1.700511688
559 H27 Ryd(2p) 0.000200393 - 2.761298845
560 H27 Ryd(2p) 0.000247331 - 2.737707427
561 H27 Ryd(2p) 0.000225792 - 2.010781006
562 H28 Val(1S) 0.778026182 - 0.046353370
563 H28 Ryd(2S) 0.000924622 - 1.459591161
564 H28 Ryd(3S) 0.000135595 - 1.608368498
565 H28 Ryd(2p) 0.000080219 - 2.661698490
566 H28 Ryd(2p) 0.000372596 - 2.848238877
567 H28 Ryd(2p) 0.000214609 - 1.995972004
568 H29 Val(1S) 0.807503256 - 0.008515047
569 H29 Ryd(2S) 0.000339479 - 0.490421519
570 H29 Ryd(3S) 0.000124999 - 2.236166754
571 H29 Ryd(2p) 0.000343175 - 2.624951832
572 H29 Ryd(2p) 0.000243566 - 2.067177237
573 H29 Ryd(2p) 0.000122464 - 1.810023069
574 H30 Val(1S) 0.827534476 - -0.007044528
575 H30 Ryd(2S) 0.001498690 - 0.537937334
576 H30 Ryd(3S) 0.000142357 - 2.284009098
577 H30 Ryd(2p) 0.000160221 - 1.889632631
578 H30 Ryd(2p) 0.000157696 - 2.047812678
579 H30 Ryd(2p) 0.000451588 - 2.610459388
580 H31 Val(1S) 0.827331147 - -0.006898650
581 H31 Ryd(2S) 0.001497478 - 0.536423896
582 H31 Ryd(3S) 0.000140381 - 2.283039218
583 H31 Ryd(2p) 0.000148234 - 1.906367577
584 H31 Ryd(2p) 0.000259141 - 2.356006618
585 H31 Ryd(2p) 0.000360395 - 2.285112767

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(O2) 1s(21.90%)p3.56(77.96%)d0.01(0.14%) 0.632990262 - -0.079351592
2 BD(1)O2(C1) 2s(28.46%)p2.51(71.31%)d0.01(0.23%) 1.369224528 - -0.477120702
3 BD(1)C1(H29) 1s(25.62%)p2.90(74.32%)d0.00(0.06%) 1.192455937 - -0.163338556
4 BD(1)H29(C1) 29s(99.95%)p0.00(0.05%) 0.807958534 - 0.009998779
5 BD(1)C1(H30) 1s(26.31%)p2.80(73.63%)d0.00(0.06%) 1.185315617 - -0.172395693
6 BD(1)H30(C1) 30s(99.95%)p0.00(0.05%) 0.827957878 - -0.004443613
7 BD(1)C1(H31) 1s(26.31%)p2.80(73.63%)d0.00(0.06%) 1.185489455 - -0.172394698
8 BD(1)H31(C1) 31s(99.95%)p0.00(0.05%) 0.827754097 - -0.004296302
9 BD(1)O2(C3) 2s(33.96%)p1.94(65.84%)d0.01(0.21%) 1.360044253 - -0.498483448
10 BD(1)C3(O2) 3s(24.63%)p3.05(75.25%)d0.00(0.12%) 0.661912791 - -0.056788660
11 BD(1)C3(C4) 3s(36.75%)p1.72(63.19%)d0.00(0.06%) 1.010190493 - -0.082027395
12 BD(1)C4(C3) 4s(34.37%)p1.91(65.50%)d0.00(0.14%) 0.985161058 - -0.070938318
13 BD(1)C3(C8) 3s(38.35%)p1.61(61.60%)d0.00(0.06%) 1.007889397 - -0.085583941
14 BD(1)C8(C3) 8s(34.51%)p1.89(65.35%)d0.00(0.13%) 0.999071636 - -0.076656415
15 BD(2)C3(C8) 3s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.973275912 - -0.124451427
16 BD(2)C8(C3) 8s(0.00%)p1.00(99.96%)d0.00(0.04%) 1.073792238 - -0.124224929
17 BD(1)C4(C5) 4s(36.74%)p1.72(63.15%)d0.00(0.11%) 0.994104359 - -0.062516163
18 BD(1)C5(C4) 5s(36.28%)p1.75(63.61%)d0.00(0.11%) 0.992395421 - -0.062554788
19 BD(2)C4(C5) 4s(0.00%)p1.00(99.96%)d0.00(0.04%) 1.028708676 - -0.116066908
20 BD(2)C5(C4) 5s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.995035595 - -0.116436898
21 BD(1)C4(H28) 4s(28.77%)p2.47(71.19%)d0.00(0.04%) 1.211071328 - -0.139420089
22 BD(1)H28(C4) 28s(99.96%)p0.00(0.04%) 0.778385827 - 0.048926774
23 BD(1)C5(C6) 5s(34.99%)p1.85(64.90%)d0.00(0.11%) 0.993097056 - -0.064116127
24 BD(1)C6(C5) 6s(36.01%)p1.78(63.94%)d0.00(0.05%) 1.014531435 - -0.081119805
25 BD(1)C5(H27) 5s(28.59%)p2.50(71.36%)d0.00(0.05%) 1.206534318 - -0.136462291
26 BD(1)H27(C5) 27s(99.96%)p0.00(0.04%) 0.784236232 - 0.049110920
27 BD(1)C6(C7) 6s(35.13%)p1.84(64.80%)d0.00(0.06%) 1.013842101 - -0.073937273
28 BD(1)C7(C6) 7s(35.50%)p1.81(64.38%)d0.00(0.12%) 0.982389033 - -0.058806485
29 BD(2)C6(C7) 6s(0.01%)p1.00(99.96%)d0.00(0.03%) 1.036618528 - -0.113943820
30 BD(2)C7(C6) 7s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.977603100 - -0.113134700
31 BD(1)C6(N11) 6s(28.67%)p2.49(71.26%)d0.00(0.07%) 0.824278329 - -0.057596110
32 BD(1)N11(C6) 11s(33.28%)p2.00(66.48%)d0.01(0.24%) 1.181827138 - -0.277326622
33 BD(1)C7(C8) 7s(35.98%)p1.78(63.90%)d0.00(0.12%) 0.985417039 - -0.063871094
34 BD(1)C8(C7) 8s(36.39%)p1.75(63.50%)d0.00(0.11%) 1.000821617 - -0.068217238
35 BD(1)C7(H10) 7s(28.40%)p2.52(71.56%)d0.00(0.04%) 1.206492727 - -0.134975507
36 BD(1)H10(C7) 10s(99.96%)p0.00(0.04%) 0.784130928 - 0.049373749
37 BD(1)C8(H9) 8s(28.95%)p2.45(71.00%)d0.00(0.05%) 1.203912732 - -0.141822765
38 BD(1)H9(C8) 9s(99.96%)p0.00(0.04%) 0.786017583 - 0.040496517
39 BD(1)N11(C12) 11s(39.73%)p1.51(59.98%)d0.01(0.28%) 1.183630244 - -0.281745544
40 BD(1)C12(N11) 12s(34.26%)p1.92(65.64%)d0.00(0.11%) 0.812574958 - 0.003393951
41 BD(2)N11(C12) 11s(0.03%)p99.99(99.68%)d9.26(0.29%) 1.157790122 - -0.191751577
42 BD(2)C12(N11) 12s(0.01%)p99.99(99.92%)d4.72(0.07%) 0.888220105 - -0.130010404
43 BD(1)C12(C13) 12s(33.90%)p1.95(66.02%)d0.00(0.08%) 0.957677987 - -0.097625423
44 BD(1)C13(C12) 13s(32.30%)p2.09(67.65%)d0.00(0.05%) 1.049547218 - -0.141109003
45 BD(1)C12(H26) 12s(31.97%)p2.13(67.96%)d0.00(0.08%) 1.207147850 - -0.170031029
46 BD(1)H26(C12) 26s(99.97%)p0.00(0.03%) 0.816837353 - 0.021856874
47 BD(1)C13(C14) 13s(33.54%)p1.98(66.37%)d0.00(0.09%) 0.997040476 - -0.102965208
48 BD(1)C14(C13) 14s(38.85%)p1.57(61.09%)d0.00(0.06%) 1.001867809 - -0.105491505
49 BD(2)C13(C14) 13s(0.00%)p1.00(99.96%)d0.00(0.03%) 0.988452986 - -0.133625511
50 BD(2)C14(C13) 14s(0.01%)p99.99(99.98%)d1.02(0.01%) 1.069951068 - -0.157285660
51 BD(1)C13(C18) 13s(34.03%)p1.94(65.91%)d0.00(0.06%) 1.028959013 - -0.102444615
52 BD(1)C18(C13) 18s(34.53%)p1.89(65.36%)d0.00(0.11%) 0.960597702 - -0.073814812
53 BD(1)C14(C15) 14s(37.79%)p1.64(62.12%)d0.00(0.09%) 1.018937851 - -0.115585865
54 BD(1)C15(C14) 15s(34.34%)p1.91(65.52%)d0.00(0.14%) 0.973233327 - -0.091235617
55 BD(1)C14(N23) 14s(23.20%)p3.31(76.70%)d0.00(0.10%) 0.794055404 - -0.132700902
56 BD(1)N23(C14) 23s(36.10%)p1.77(63.83%)d0.00(0.06%) 1.292862201 - -0.432846560
57 BD(1)C15(C16) 15s(36.42%)p1.74(63.48%)d0.00(0.11%) 1.007427555 - -0.093482495
58 BD(1)C16(C15) 16s(35.39%)p1.82(64.49%)d0.00(0.12%) 0.983023127 - -0.083014771
59 BD(2)C15(C16) 15s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.963473668 - -0.137373601
60 BD(2)C16(C15) 16s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.987528894 - -0.136263475
61 BD(1)C15(H22) 15s(29.10%)p2.43(70.85%)d0.00(0.04%) 1.228811188 - -0.167675347
62 BD(1)H22(C15) 22s(99.95%)p0.00(0.05%) 0.759416754 - 0.039242955
63 BD(1)C16(C17) 16s(35.61%)p1.81(64.28%)d0.00(0.11%) 0.999374356 - -0.090177673
64 BD(1)C17(C16) 17s(35.47%)p1.82(64.42%)d0.00(0.11%) 0.996466069 - -0.089268605
65 BD(1)C16(H21) 16s(28.87%)p2.46(71.09%)d0.00(0.04%) 1.208178133 - -0.158180553
66 BD(1)H21(C16) 21s(99.96%)p0.00(0.04%) 0.784694377 - 0.030212080
67 BD(1)C17(C18) 17s(35.91%)p1.78(63.97%)d0.00(0.11%) 0.993936374 - -0.081230596
68 BD(1)C18(C17) 18s(36.32%)p1.75(63.58%)d0.00(0.10%) 0.999971787 - -0.084355137
69 BD(2)C17(C18) 17s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.966066231 - -0.134135438
70 BD(2)C18(C17) 18s(0.00%)p1.00(99.95%)d0.00(0.04%) 0.956435358 - -0.128779825
71 BD(1)C17(H20) 17s(28.49%)p2.51(71.47%)d0.00(0.04%) 1.206481146 - -0.155674625
72 BD(1)H20(C17) 20s(99.96%)p0.00(0.04%) 0.786886176 - 0.031042308
73 BD(1)C18(H19) 18s(29.03%)p2.44(70.92%)d0.00(0.04%) 1.228357406 - -0.151545227
74 BD(1)H19(C18) 19s(99.96%)p0.00(0.04%) 0.762953532 - 0.053981598
75 BD(1)N23(O24) 23s(31.92%)p2.13(67.98%)d0.00(0.10%) 1.008368862 - -0.345220138
76 BD(1)O24(N23) 24s(24.52%)p3.06(75.07%)d0.02(0.41%) 1.052091857 - -0.356660894
77 BD(2)N23(O24) 23s(0.11%)p99.99(99.67%)d1.91(0.21%) 1.155748135 - -0.327171712
78 BD(2)O24(N23) 24s(0.39%)p99.99(99.32%)d0.77(0.30%) 1.439232615 - -0.294885791
79 BD(1)N23(O25) 23s(31.67%)p2.15(68.23%)d0.00(0.10%) 1.007300088 - -0.345883798
80 BD(1)O25(N23) 25s(24.09%)p3.13(75.49%)d0.02(0.42%) 1.055848167 - -0.356893850
81 CR(1)C1 s(100.00%)p0.00(0.00%) 1.999247476 - -10.109053187
82 CR(1)O2 s(100.00%) 1.999706814 - -18.964099480
83 CR(1)C3 s(100.00%)p0.00(0.00%) 1.998785958 - -10.109513270
84 CR(1)C4 s(100.00%)p0.00(0.00%) 1.999063089 - -10.031564172
85 CR(1)C5 s(100.00%)p0.00(0.00%) 1.999058751 - -10.035594372
86 CR(1)C6 s(100.00%)p0.00(0.00%) 1.998915028 - -10.067884774
87 CR(1)C7 s(100.00%)p0.00(0.00%) 1.999071165 - -10.033712812
88 CR(1)C8 s(100.00%)p0.00(0.00%) 1.999044694 - -10.035289663
89 CR(1)N11 s(100.00%)p0.00(0.00%) 1.999288084 - -14.133095130
90 CR(1)C12 s(100.00%)p0.00(0.00%) 1.999133373 - -10.089650674
91 CR(1)C13 s(100.00%)p0.00(0.00%) 1.998913971 - -10.073951859
92 CR(1)C14 s(100.00%)p0.00(0.00%) 1.998707167 - -10.114010441
93 CR(1)C15 s(100.00%)p0.00(0.00%) 1.999040242 - -10.059100231
94 CR(1)C16 s(100.00%)p0.00(0.00%) 1.999154546 - -10.057706935
95 CR(1)C17 s(100.00%)p0.00(0.00%) 1.999148719 - -10.057174260
96 CR(1)C18 s(100.00%)p0.00(0.00%) 1.999078709 - -10.050884528
97 CR(1)N23 s(100.00%) 1.999426252 - -14.415917072
98 CR(1)O24 s(100.00%)p0.00(0.00%) 1.999791349 - -18.955852570
99 CR(1)O25 s(100.00%)p0.00(0.00%) 1.999792220 - -18.957556875
100 LP(1)O2 s(37.59%)p1.66(62.28%)d0.00(0.13%) 1.963910370 - -0.553536636
101 LP(2)O2 s(0.00%)p1.00(99.85%)d0.00(0.15%) 1.838598670 - -0.323433511
102 LP(1)N11 s(26.98%)p2.70(72.77%)d0.01(0.24%) 1.899956090 - -0.349705842
103 LP(1)O24 s(75.04%)p0.33(24.93%)d0.00(0.03%) 1.981646918 - -0.818743556
104 LP(2)O24 s(0.07%)p99.99(99.73%)d2.67(0.20%) 1.899010629 - -0.309693439
105 LP(1)O25 s(75.09%)p0.33(24.87%)d0.00(0.03%) 1.980057500 - -0.819952453
106 LP(2)O25 s(0.20%)p99.99(99.60%)d0.99(0.20%) 1.900207302 - -0.311720993
107 LP(3)O25 s(0.63%)p99.99(99.10%)d0.44(0.28%) 1.442694862 - -0.298340336
108 RY*(1)C1 s(20.58%)p2.49(51.30%)d1.37(28.12%) 0.002543082 - 1.152660357
109 RY*(2)C1 s(0.00%)p1.00(27.69%)d2.61(72.31%) 0.001949246 - 1.574445126
110 RY*(3)C1 s(2.91%)p31.38(91.25%)d2.01(5.85%) 0.001566356 - 0.834185547
111 RY*(4)C1 s(7.90%)p6.96(54.99%)d4.70(37.11%) 0.000395146 - 1.762055903
112 RY*(5)C1 s(0.00%)p1.00(92.44%)d0.08(7.56%) 0.000310163 - 0.624573627
113 RY*(6)C1 s(12.53%)p2.58(32.34%)d4.40(55.13%) 0.000139424 - 1.404414818
114 RY*(7)C1 s(3.40%)p18.58(63.19%)d9.82(33.41%) 0.000048795 - 2.922570887
115 RY*(8)C1 s(96.17%)p0.03(2.75%)d0.01(1.08%) 0.000000198 - 22.420139378
116 RY*(9)C1 s(14.26%)p3.62(51.57%)d2.40(34.17%) 0.000008426 - 1.716427050
117 RY*(10)C1 s(37.33%)p0.59(21.99%)d1.09(40.69%) 0.000002385 - 1.399926740
118 RY*(11)C1 s(1.27%)p29.77(37.87%)d47.84(60.86%) 0.000007084 - 1.559321824
119 RY*(12)C1 s(0.08%)p99.99(98.44%)d17.55(1.48%) 0.000001189 - 2.773061332
120 RY*(13)C1 s(12.63%)p4.70(59.32%)d2.22(28.05%) 0.000005014 - 1.526384017
121 RY*(14)C1 s(2.31%)p3.69(8.51%)d38.63(89.18%) 0.000002068 - 2.731790813
122 RY*(15)C1 s(0.29%)p99.99(96.25%)d11.94(3.46%) 0.000005767 - 2.089715981
123 RY*(16)C1 s(0.04%)p99.99(7.58%)d99.99(92.38%) 0.000009635 - 2.704520064
124 RY*(17)C1 s(1.54%)p19.17(29.46%)d44.90(69.00%) 0.000002044 - 1.969554967
125 RY*(18)C1 s(0.16%)p8.65(1.36%)d99.99(98.48%) 0.000001114 - 2.400781545
126 RY*(19)C1 s(83.39%)p0.12(10.03%)d0.08(6.59%) 0.000009984 - 0.963120268
127 RY*(20)C1 s(0.33%)p50.73(16.53%)d99.99(83.14%) 0.000003515 - 2.758760832
128 RY*(21)C1 s(2.61%)p2.28(5.95%)d34.99(91.44%) 0.000001143 - 2.569623539
129 RY*(22)C1 s(0.14%)p99.99(39.65%)d99.99(60.21%) 0.000004217 - 2.669826332
130 RY*(1)O2 s(15.62%)p5.28(82.38%)d0.13(2.00%) 0.004420825 - 0.758730861
131 RY*(2)O2 s(0.00%)p1.00(98.09%)d0.02(1.91%) 0.003432819 - 0.804703822
132 RY*(3)O2 s(1.19%)p69.21(82.65%)d13.52(16.15%) 0.001092597 - 1.370863100
133 RY*(4)O2 s(6.19%)p13.60(84.17%)d1.56(9.64%) 0.000768771 - 0.915376713
134 RY*(5)O2 s(0.11%)p99.99(58.86%)d99.99(41.03%) 0.000274913 - 1.856704366
135 RY*(6)O2 s(0.91%)p41.42(37.64%)d67.63(61.45%) 0.000159528 - 2.453876150
136 RY*(7)O2 s(51.71%)p0.16(8.21%)d0.78(40.09%) 0.000134076 - 2.007485690
137 RY*(8)O2 s(0.28%)p34.75(9.90%)d99.99(89.81%) 0.000107558 - 3.504783783
138 RY*(9)O2 s(10.61%)p4.69(49.75%)d3.73(39.64%) 0.000047868 - 2.466370488
139 RY*(10)O2 s(10.40%)p2.49(25.88%)d6.13(63.72%) 0.000047058 - 2.689455009
140 RY*(11)O2 s(21.47%)p1.56(33.48%)d2.10(45.05%) 0.000028578 - 1.954640558
141 RY*(12)O2 s(12.44%)p3.93(48.92%)d3.11(38.64%) 0.000021654 - 4.471152755
142 RY*(13)O2 s(0.94%)p98.91(92.64%)d6.85(6.42%) 0.000003364 - 4.405149643
143 RY*(14)O2 s(9.38%)p1.53(14.34%)d8.13(76.29%) 0.000004940 - 5.655648820
144 RY*(15)O2 s(0.35%)p72.87(25.85%)d99.99(73.79%) 0.000000097 - 2.117813741
145 RY*(16)O2 s(0.23%)p99.99(27.77%)d99.99(72.01%) 0.000004277 - 2.869299865
146 RY*(17)O2 s(99.78%)p0.00(0.17%)d0.00(0.05%) 0.000000046 - 49.244700870
147 RY*(18)O2 s(0.11%)p8.81(0.94%)d99.99(98.96%) 0.000000076 - 6.638185430
148 RY*(19)O2 s(56.66%)p0.16(9.10%)d0.60(34.23%) 0.000003499 - 2.398227375
149 RY*(20)O2 s(1.35%)p6.97(9.41%)d66.14(89.25%) 0.000000338 - 6.009967957
150 RY*(21)O2 s(0.01%)p1.00(99.74%)d0.00(0.25%) 0.000000290 - 4.916684988
151 RY*(22)O2 s(0.25%)p3.39(0.84%)d99.99(98.91%) 0.000000236 - 6.692117413
152 RY*(1)C3 s(0.49%)p99.99(96.68%)d5.75(2.83%) 0.006667960 - 1.310601860
153 RY*(2)C3 s(0.24%)p99.99(93.70%)d25.34(6.06%) 0.003978254 - 1.540971252
154 RY*(3)C3 s(15.01%)p0.18(2.73%)d5.48(82.26%) 0.001669984 - 1.782332366
155 RY*(4)C3 s(0.02%)p99.99(9.16%)d99.99(90.82%) 0.001481911 - 1.978985751
156 RY*(5)C3 s(34.19%)p0.14(4.75%)d1.79(61.06%) 0.000723926 - 2.441266744
157 RY*(6)C3 s(1.05%)p30.67(32.10%)d63.88(66.85%) 0.000606155 - 3.123380759
158 RY*(7)C3 s(0.03%)p99.99(4.23%)d99.99(95.73%) 0.000505347 - 2.617303990
159 RY*(8)C3 s(0.05%)p99.99(85.33%)d99.99(14.62%) 0.000399379 - 0.957405341
160 RY*(9)C3 s(29.76%)p0.61(18.13%)d1.75(52.11%) 0.000333370 - 1.727780578
161 RY*(10)C3 s(4.22%)p7.36(31.08%)d15.32(64.69%) 0.000122789 - 2.985922740
162 RY*(11)C3 s(21.09%)p0.21(4.36%)d3.54(74.55%) 0.000106244 - 3.033528318
163 RY*(12)C3 s(18.85%)p3.11(58.60%)d1.20(22.54%) 0.000074177 - 4.435308497
164 RY*(13)C3 s(0.31%)p76.90(23.95%)d99.99(75.74%) 0.000082674 - 1.768303999
165 RY*(14)C3 s(52.26%)p0.55(28.80%)d0.36(18.94%) 0.000036711 - 5.076866925
166 RY*(15)C3 s(2.42%)p37.65(90.96%)d2.74(6.63%) 0.000018851 - 2.128146532
167 RY*(16)C3 s(10.02%)p6.38(63.86%)d2.61(26.12%) 0.000027376 - 1.599366834
168 RY*(17)C3 s(81.94%)p0.17(13.62%)d0.05(4.44%) 0.000002387 - 13.504583923
169 RY*(18)C3 s(0.65%)p7.62(4.94%)d99.99(94.42%) 0.000000230 - 1.681495319
170 RY*(19)C3 s(26.01%)p2.12(55.04%)d0.73(18.95%) 0.000009792 - 2.741867122
171 RY*(20)C3 s(0.03%)p99.99(73.52%)d99.99(26.45%) 0.000000289 - 1.294296012
172 RY*(21)C3 s(0.07%)p99.99(98.41%)d22.57(1.53%) 0.000000135 - 2.742276704
173 RY*(22)C3 s(1.56%)p3.89(6.06%)d59.28(92.39%) 0.000002763 - 3.354038183
174 RY*(1)C4 s(0.20%)p99.99(89.28%)d51.98(10.52%) 0.006082782 - 1.328119770
175 RY*(2)C4 s(2.02%)p47.36(95.84%)d1.06(2.14%) 0.002912888 - 1.137543832
176 RY*(3)C4 s(35.52%)p0.83(29.63%)d0.98(34.85%) 0.000880439 - 1.629034450
177 RY*(4)C4 s(15.36%)p3.63(55.71%)d1.88(28.93%) 0.000807376 - 1.001296398
178 RY*(5)C4 s(0.10%)p99.99(16.23%)d99.99(83.67%) 0.000386928 - 2.516248930
179 RY*(6)C4 s(4.59%)p6.76(31.05%)d14.01(64.36%) 0.000350740 - 2.372685341
180 RY*(7)C4 s(2.55%)p7.74(19.74%)d30.47(77.71%) 0.000163422 - 1.090462910
181 RY*(8)C4 s(24.77%)p0.91(22.63%)d2.12(52.60%) 0.000157342 - 2.213462149
182 RY*(9)C4 s(30.37%)p0.57(17.33%)d1.72(52.29%) 0.000108878 - 1.946507165
183 RY*(10)C4 s(22.19%)p0.51(11.40%)d2.99(66.41%) 0.000099443 - 2.116101257
184 RY*(11)C4 s(19.52%)p1.40(27.40%)d2.72(53.08%) 0.000050221 - 2.893776896
185 RY*(12)C4 s(1.33%)p53.35(71.04%)d20.75(27.63%) 0.000035229 - 2.100322833
186 RY*(13)C4 s(7.28%)p9.05(65.87%)d3.69(26.85%) 0.000022523 - 2.226053657
187 RY*(14)C4 s(0.58%)p99.99(84.97%)d24.89(14.45%) 0.000014021 - 1.420924432
188 RY*(15)C4 s(5.20%)p9.69(50.40%)d8.53(44.39%) 0.000019786 - 1.984628513
189 RY*(16)C4 s(0.23%)p23.56(5.46%)d99.99(94.31%) 0.000004057 - 1.878048559
190 RY*(17)C4 s(90.14%)p0.09(8.45%)d0.02(1.41%) 0.000001844 - 18.945107715
191 RY*(18)C4 s(0.23%)p15.99(3.71%)d99.99(96.06%) 0.000001121 - 3.198845925
192 RY*(19)C4 s(0.28%)p99.99(95.04%)d16.76(4.68%) 0.000002018 - 2.463772573
193 RY*(20)C4 s(8.48%)p3.79(32.17%)d7.00(59.35%) 0.000005876 - 2.523087812
194 RY*(21)C4 s(27.18%)p2.31(62.79%)d0.37(10.03%) 0.000009843 - 2.754440602
195 RY*(22)C4 s(1.97%)p2.06(4.07%)d47.61(93.95%) 0.000001754 - 3.303076644
196 RY*(1)C5 s(0.22%)p99.99(86.30%)d60.90(13.48%) 0.004810498 - 1.349436396
197 RY*(2)C5 s(1.01%)p96.95(98.09%)d0.89(0.90%) 0.001944264 - 1.479437760
198 RY*(3)C5 s(37.55%)p1.25(47.10%)d0.41(15.35%) 0.000739178 - 0.871593155
199 RY*(4)C5 s(39.78%)p0.55(21.95%)d0.96(38.27%) 0.000681143 - 1.626147192
200 RY*(5)C5 s(0.37%)p16.02(5.97%)d99.99(93.66%) 0.000487957 - 2.074161108
201 RY*(6)C5 s(14.71%)p1.13(16.56%)d4.67(68.73%) 0.000411403 - 1.428831393
202 RY*(7)C5 s(4.19%)p9.55(40.04%)d13.30(55.76%) 0.000305969 - 2.145723324
203 RY*(8)C5 s(10.67%)p5.66(60.43%)d2.71(28.90%) 0.000161413 - 2.002940792
204 RY*(9)C5 s(14.37%)p1.71(24.58%)d4.25(61.05%) 0.000114799 - 2.880361733
205 RY*(10)C5 s(3.90%)p2.93(11.43%)d21.72(84.67%) 0.000082954 - 1.977809448
206 RY*(11)C5 s(3.17%)p20.27(64.24%)d10.29(32.59%) 0.000062626 - 2.026260609
207 RY*(12)C5 s(13.81%)p3.38(46.63%)d2.86(39.55%) 0.000055574 - 2.741682052
208 RY*(13)C5 s(2.93%)p18.12(53.07%)d15.03(44.00%) 0.000039351 - 2.834879372
209 RY*(14)C5 s(2.86%)p16.38(46.80%)d17.62(50.34%) 0.000030785 - 2.402822964
210 RY*(15)C5 s(12.94%)p4.64(60.06%)d2.09(26.99%) 0.000015519 - 2.391466886
211 RY*(16)C5 s(4.01%)p7.74(31.07%)d16.17(64.92%) 0.000014641 - 2.882512434
212 RY*(17)C5 s(0.06%)p99.99(18.49%)d99.99(81.45%) 0.000004800 - 2.398308663
213 RY*(18)C5 s(0.05%)p99.99(5.38%)d99.99(94.57%) 0.000005404 - 2.753547250
214 RY*(19)C5 s(1.07%)p90.93(97.68%)d1.16(1.25%) 0.000002365 - 2.874723870
215 RY*(20)C5 s(46.17%)p1.12(51.50%)d0.05(2.33%) 0.000008540 - 3.925460778
216 RY*(21)C5 s(85.82%)p0.12(10.37%)d0.04(3.82%) 0.000004382 - 15.054446816
217 RY*(22)C5 s(0.47%)p5.13(2.43%)d99.99(97.09%) 0.000002973 - 3.492075682
218 RY*(1)C6 s(0.12%)p99.99(95.66%)d36.00(4.23%) 0.007683807 - 1.293202797
219 RY*(2)C6 s(1.74%)p53.12(92.16%)d3.52(6.10%) 0.005443651 - 1.335265471
220 RY*(3)C6 s(24.63%)p0.95(23.50%)d2.11(51.87%) 0.002060277 - 1.813634921
221 RY*(4)C6 s(0.08%)p99.99(74.98%)d99.99(24.94%) 0.001479743 - 1.188870001
222 RY*(5)C6 s(40.90%)p0.30(12.35%)d1.14(46.75%) 0.000967016 - 1.905916397
223 RY*(6)C6 s(3.27%)p6.96(22.78%)d22.61(73.95%) 0.000763818 - 2.001807951
224 RY*(7)C6 s(1.84%)p5.40(9.96%)d47.82(88.20%) 0.000551558 - 1.970060090
225 RY*(8)C6 s(0.33%)p9.07(2.96%)d99.99(96.72%) 0.000424367 - 3.026476609
226 RY*(9)C6 s(20.31%)p0.88(17.79%)d3.05(61.90%) 0.000228694 - 1.942041701
227 RY*(10)C6 s(22.17%)p0.64(14.11%)d2.87(63.72%) 0.000120344 - 3.228285306
228 RY*(11)C6 s(8.17%)p1.06(8.65%)d10.18(83.18%) 0.000094241 - 3.086035781
229 RY*(12)C6 s(9.29%)p6.97(64.75%)d2.79(25.96%) 0.000079346 - 3.042454445
230 RY*(13)C6 s(4.32%)p16.50(71.33%)d5.63(24.35%) 0.000048275 - 1.389279213
231 RY*(14)C6 s(14.64%)p5.15(75.40%)d0.68(9.96%) 0.000026579 - 1.080833873
232 RY*(15)C6 s(4.65%)p18.63(86.73%)d1.85(8.62%) 0.000035042 - 3.883815454
233 RY*(16)C6 s(40.80%)p1.06(43.46%)d0.39(15.74%) 0.000026244 - 2.368466881
234 RY*(17)C6 s(1.27%)p49.52(62.76%)d28.39(35.98%) 0.000018380 - 1.899694079
235 RY*(18)C6 s(3.10%)p29.66(92.08%)d1.55(4.82%) 0.000002426 - 2.877968898
236 RY*(19)C6 s(90.05%)p0.09(8.20%)d0.02(1.75%) 0.000004445 - 16.951627910
237 RY*(20)C6 s(4.60%)p2.72(12.53%)d18.02(82.87%) 0.000006669 - 3.114756326
238 RY*(21)C6 s(0.15%)p28.93(4.27%)d99.99(95.58%) 0.000003983 - 1.571772602
239 RY*(22)C6 s(3.73%)p0.98(3.66%)d24.83(92.61%) 0.000002267 - 3.301072250
240 RY*(1)C7 s(0.46%)p99.99(89.82%)d21.04(9.72%) 0.006200568 - 1.296192406
241 RY*(2)C7 s(0.49%)p99.99(97.99%)d3.12(1.52%) 0.003081873 - 1.043432047
242 RY*(3)C7 s(7.30%)p9.28(67.75%)d3.42(24.95%) 0.000825849 - 0.881770571
243 RY*(4)C7 s(30.38%)p0.79(23.90%)d1.50(45.72%) 0.000754675 - 1.776349262
244 RY*(5)C7 s(29.01%)p1.37(39.65%)d1.08(31.34%) 0.000496648 - 1.399863672
245 RY*(6)C7 s(0.25%)p13.80(3.46%)d99.99(96.29%) 0.000487162 - 2.785044855
246 RY*(7)C7 s(6.92%)p7.98(55.19%)d5.48(37.89%) 0.000236585 - 2.355830790
247 RY*(8)C7 s(12.58%)p2.71(34.14%)d4.24(53.28%) 0.000169918 - 1.176253407
248 RY*(9)C7 s(27.36%)p0.92(25.09%)d1.74(47.55%) 0.000125401 - 2.405802307
249 RY*(10)C7 s(40.85%)p0.44(17.86%)d1.01(41.29%) 0.000099116 - 2.287327264
250 RY*(11)C7 s(11.01%)p3.80(41.85%)d4.28(47.14%) 0.000071831 - 2.176591533
251 RY*(12)C7 s(0.82%)p33.54(27.38%)d87.95(71.80%) 0.000042987 - 2.682237958
252 RY*(13)C7 s(5.08%)p12.37(62.87%)d6.30(32.04%) 0.000014001 - 2.665858607
253 RY*(14)C7 s(0.71%)p6.05(4.31%)d99.99(94.97%) 0.000014516 - 1.798877645
254 RY*(15)C7 s(28.82%)p1.40(40.41%)d1.07(30.77%) 0.000020365 - 2.284964371
255 RY*(16)C7 s(0.91%)p59.66(54.13%)d49.55(44.96%) 0.000017128 - 2.117212148
256 RY*(17)C7 s(0.41%)p99.99(95.98%)d8.87(3.61%) 0.000004662 - 2.923041760
257 RY*(18)C7 s(0.20%)p99.99(69.96%)d99.99(29.84%) 0.000011784 - 0.550449986
258 RY*(19)C7 s(6.18%)p4.89(30.27%)d10.28(63.55%) 0.000011673 - 2.658497076
259 RY*(20)C7 s(0.28%)p8.11(2.30%)d99.99(97.42%) 0.000000589 - 3.363322864
260 RY*(21)C7 s(89.30%)p0.10(8.58%)d0.02(2.13%) 0.000002573 - 19.240721456
261 RY*(22)C7 s(0.80%)p9.11(7.30%)d99.99(91.90%) 0.000001168 - 3.376644207
262 RY*(1)C8 s(0.29%)p99.99(85.89%)d48.31(13.83%) 0.004762111 - 1.348708160
263 RY*(2)C8 s(1.28%)p76.63(98.17%)d0.43(0.55%) 0.001627913 - 1.616137910
264 RY*(3)C8 s(0.32%)p99.99(91.24%)d26.19(8.44%) 0.001256316 - 0.408807139
265 RY*(4)C8 s(34.78%)p0.43(14.90%)d1.45(50.31%) 0.000744276 - 1.874413508
266 RY*(5)C8 s(1.32%)p11.74(15.49%)d63.06(83.19%) 0.000484299 - 2.157573035
267 RY*(6)C8 s(11.64%)p5.03(58.60%)d2.56(29.76%) 0.000381927 - 1.574183739
268 RY*(7)C8 s(40.67%)p0.24(9.60%)d1.22(49.74%) 0.000250495 - 1.708336248
269 RY*(8)C8 s(3.54%)p7.86(27.83%)d19.38(68.62%) 0.000198468 - 0.789789251
270 RY*(9)C8 s(20.25%)p2.39(48.50%)d1.54(31.25%) 0.000179720 - 1.331638397
271 RY*(10)C8 s(27.97%)p0.35(9.73%)d2.23(62.30%) 0.000081217 - 2.692154006
272 RY*(11)C8 s(2.00%)p1.94(3.88%)d46.96(94.11%) 0.000075077 - 2.308231672
273 RY*(12)C8 s(10.07%)p6.17(62.10%)d2.76(27.83%) 0.000044934 - 3.930102607
274 RY*(13)C8 s(6.28%)p4.57(28.72%)d10.35(65.00%) 0.000038206 - 3.115260949
275 RY*(14)C8 s(31.65%)p1.56(49.39%)d0.60(18.96%) 0.000010792 - 2.551040723
276 RY*(15)C8 s(1.44%)p49.64(71.68%)d18.61(26.88%) 0.000010886 - 1.155951489
277 RY*(16)C8 s(3.20%)p7.36(23.56%)d22.88(73.23%) 0.000018368 - 2.572031858
278 RY*(17)C8 s(2.53%)p26.58(67.11%)d12.02(30.36%) 0.000006682 - 1.889039847
279 RY*(18)C8 s(12.82%)p2.46(31.56%)d4.34(55.62%) 0.000014411 - 2.971445115
280 RY*(19)C8 s(0.31%)p99.99(86.21%)d43.78(13.48%) 0.000000174 - 2.936155667
281 RY*(20)C8 s(0.08%)p61.43(5.03%)d99.99(94.88%) 0.000000276 - 3.330605624
282 RY*(21)C8 s(86.90%)p0.12(10.36%)d0.03(2.74%) 0.000004737 - 17.692817615
283 RY*(22)C8 s(0.80%)p0.76(0.60%)d99.99(98.60%) 0.000002330 - 3.519012409
284 RY*(1)H9 s(99.16%)p0.01(0.84%) 0.000839321 - 1.200111914
285 RY*(2)H9 s(0.01%)p99.99(99.99%) 0.000247947 - 1.953504834
286 RY*(3)H9 s(95.02%)p0.05(4.98%) 0.000150002 - 1.942651484
287 RY*(4)H9 s(5.17%)p18.36(94.83%) 0.000063458 - 2.768200018
288 RY*(5)H9 s(0.68%)p99.99(99.32%) 0.000035641 - 2.647654156
289 RY*(1)H10 s(99.22%)p0.01(0.78%) 0.001028725 - 1.359111168
290 RY*(2)H10 s(0.89%)p99.99(99.11%) 0.000184752 - 1.950100227
291 RY*(3)H10 s(83.25%)p0.20(16.75%) 0.000165762 - 2.153726295
292 RY*(4)H10 s(16.22%)p5.16(83.78%) 0.000042733 - 2.533050440
293 RY*(5)H10 s(0.45%)p99.99(99.55%) 0.000035006 - 2.644180529
294 RY*(1)N11 s(10.81%)p7.93(85.73%)d0.32(3.46%) 0.006870912 - 0.923123110
295 RY*(2)N11 s(0.27%)p99.99(95.23%)d16.99(4.51%) 0.002084695 - 1.277785196
296 RY*(3)N11 s(35.76%)p0.87(31.05%)d0.93(33.19%) 0.000927851 - 1.621727994
297 RY*(4)N11 s(5.84%)p9.94(58.09%)d6.17(36.06%) 0.000613330 - 1.782154338
298 RY*(5)N11 s(17.91%)p2.41(43.26%)d2.17(38.83%) 0.000388855 - 1.509456183
299 RY*(6)N11 s(18.30%)p1.06(19.42%)d3.40(62.28%) 0.000262932 - 1.731325692
300 RY*(7)N11 s(1.96%)p29.16(57.21%)d20.81(40.83%) 0.000161701 - 1.798312918
301 RY*(8)N11 s(0.56%)p60.19(33.46%)d99.99(65.99%) 0.000164690 - 1.955007067
302 RY*(9)N11 s(1.03%)p30.24(31.25%)d65.52(67.71%) 0.000116625 - 2.524321531
303 RY*(10)N11 s(2.18%)p36.92(80.53%)d7.93(17.29%) 0.000086637 - 1.305889307
304 RY*(11)N11 s(5.20%)p8.29(43.10%)d9.94(51.70%) 0.000066426 - 2.153932741
305 RY*(12)N11 s(0.93%)p87.16(80.73%)d19.81(18.34%) 0.000036559 - 3.882304887
306 RY*(13)N11 s(85.85%)p0.07(6.33%)d0.09(7.81%) 0.000027625 - 1.161586433
307 RY*(14)N11 s(3.15%)p7.05(22.18%)d23.73(74.67%) 0.000035019 - 4.089668996
308 RY*(15)N11 s(4.61%)p10.51(48.48%)d10.17(46.91%) 0.000018771 - 3.876073546
309 RY*(16)N11 s(0.33%)p29.61(9.63%)d99.99(90.05%) 0.000005608 - 3.854662277
310 RY*(17)N11 s(0.89%)p50.81(45.30%)d60.35(53.81%) 0.000014340 - 1.853518018
311 RY*(18)N11 s(0.13%)p7.01(0.91%)d99.99(98.96%) 0.000000582 - 4.763973028
312 RY*(19)N11 s(99.17%)p0.01(0.60%)d0.00(0.23%) 0.000000208 - 35.016631313
313 RY*(20)N11 s(4.33%)p3.78(16.39%)d18.29(79.28%) 0.000005547 - 4.353573907
314 RY*(21)N11 s(0.10%)p99.99(91.26%)d89.34(8.65%) 0.000002564 - 3.892658632
315 RY*(22)N11 s(0.67%)p1.41(0.94%)d99.99(98.39%) 0.000001912 - 4.935861405
316 RY*(1)C12 s(36.00%)p1.65(59.39%)d0.13(4.61%) 0.006653718 - 1.243961008
317 RY*(2)C12 s(21.68%)p3.14(68.01%)d0.48(10.31%) 0.004608530 - 1.180043460
318 RY*(3)C12 s(11.43%)p7.24(82.73%)d0.51(5.84%) 0.001614509 - 0.931689687
319 RY*(4)C12 s(10.22%)p8.06(82.34%)d0.73(7.44%) 0.001437674 - 1.041739397
320 RY*(5)C12 s(0.66%)p19.56(13.00%)d99.99(86.33%) 0.000606544 - 1.888270914
321 RY*(6)C12 s(2.89%)p11.27(32.62%)d22.29(64.49%) 0.000505139 - 1.961548898
322 RY*(7)C12 s(5.85%)p4.35(25.40%)d11.76(68.75%) 0.000469210 - 1.634734481
323 RY*(8)C12 s(3.38%)p8.07(27.24%)d20.55(69.38%) 0.000248734 - 2.074965060
324 RY*(9)C12 s(1.57%)p34.47(54.19%)d28.14(44.24%) 0.000198530 - 2.362765167
325 RY*(10)C12 s(15.12%)p1.66(25.14%)d3.95(59.74%) 0.000151750 - 2.379405053
326 RY*(11)C12 s(4.15%)p16.05(66.56%)d7.06(29.29%) 0.000104705 - 1.208959767
327 RY*(12)C12 s(13.68%)p2.64(36.18%)d3.66(50.14%) 0.000086375 - 2.358768159
328 RY*(13)C12 s(16.58%)p2.20(36.57%)d2.83(46.85%) 0.000057283 - 0.947794251
329 RY*(14)C12 s(2.28%)p18.79(42.76%)d24.16(54.97%) 0.000047912 - 2.601350570
330 RY*(15)C12 s(57.17%)p0.44(25.35%)d0.31(17.48%) 0.000015829 - 1.182181447
331 RY*(16)C12 s(4.06%)p7.81(31.73%)d15.79(64.20%) 0.000014820 - 4.329238980
332 RY*(17)C12 s(0.25%)p10.92(2.78%)d99.99(96.96%) 0.000013142 - 2.614201018
333 RY*(18)C12 s(0.62%)p1.90(1.18%)d99.99(98.20%) 0.000004237 - 3.377442784
334 RY*(19)C12 s(1.97%)p45.27(89.33%)d4.40(8.69%) 0.000005478 - 2.856905037
335 RY*(20)C12 s(0.28%)p99.99(92.42%)d25.79(7.30%) 0.000011889 - 2.616800566
336 RY*(21)C12 s(89.61%)p0.05(4.69%)d0.06(5.70%) 0.000002757 - 18.752496003
337 RY*(22)C12 s(0.42%)p2.01(0.84%)d99.99(98.75%) 0.000001521 - 3.480198657
338 RY*(1)C13 s(1.29%)p71.97(93.01%)d4.40(5.69%) 0.007604621 - 1.359303642
339 RY*(2)C13 s(1.04%)p88.30(91.52%)d7.18(7.44%) 0.005580020 - 1.344020448
340 RY*(3)C13 s(58.21%)p0.18(10.42%)d0.54(31.37%) 0.001131969 - 1.648222011
341 RY*(4)C13 s(10.67%)p7.06(75.38%)d1.31(13.95%) 0.000944303 - 0.798005886
342 RY*(5)C13 s(1.89%)p4.08(7.68%)d47.96(90.43%) 0.000832177 - 2.633670420
343 RY*(6)C13 s(13.56%)p2.56(34.64%)d3.82(51.80%) 0.000666330 - 2.264980721
344 RY*(7)C13 s(0.25%)p58.39(14.76%)d99.99(84.99%) 0.000492736 - 2.282694008
345 RY*(8)C13 s(2.95%)p3.88(11.44%)d29.05(85.62%) 0.000439878 - 2.132001635
346 RY*(9)C13 s(8.71%)p2.19(19.11%)d8.29(72.18%) 0.000300864 - 2.302001796
347 RY*(10)C13 s(11.04%)p5.09(56.16%)d2.97(32.80%) 0.000239879 - 1.916528955
348 RY*(11)C13 s(37.02%)p0.79(29.34%)d0.91(33.64%) 0.000140057 - 2.514879493
349 RY*(12)C13 s(3.35%)p11.12(37.29%)d17.70(59.36%) 0.000113893 - 3.207634505
350 RY*(13)C13 s(19.37%)p0.78(15.14%)d3.38(65.49%) 0.000072738 - 2.701145233
351 RY*(14)C13 s(5.41%)p14.72(79.72%)d2.75(14.87%) 0.000056184 - 2.978332362
352 RY*(15)C13 s(2.32%)p22.52(52.18%)d19.64(45.51%) 0.000038319 - 3.331379214
353 RY*(16)C13 s(26.49%)p2.26(59.76%)d0.52(13.75%) 0.000035976 - 1.774403050
354 RY*(17)C13 s(0.56%)p99.99(82.53%)d30.30(16.91%) 0.000018548 - 1.029383823
355 RY*(18)C13 s(0.13%)p79.22(9.96%)d99.99(89.91%) 0.000008907 - 1.964232583
356 RY*(19)C13 s(90.34%)p0.09(8.44%)d0.01(1.23%) 0.000004962 - 18.749617299
357 RY*(20)C13 s(0.65%)p99.99(96.03%)d5.10(3.32%) 0.000005030 - 2.479702588
358 RY*(21)C13 s(0.74%)p16.96(12.63%)d99.99(86.63%) 0.000014234 - 2.676795991
359 RY*(22)C13 s(4.13%)p0.72(2.97%)d22.52(92.90%) 0.000003391 - 3.357192624
360 RY*(1)C14 s(0.15%)p99.99(96.71%)d21.10(3.15%) 0.006737640 - 1.257536065
361 RY*(2)C14 s(0.13%)p99.99(94.34%)d41.75(5.52%) 0.006740640 - 1.131995729
362 RY*(3)C14 s(8.01%)p9.07(72.61%)d2.42(19.38%) 0.001420672 - 1.056193145
363 RY*(4)C14 s(35.10%)p0.18(6.32%)d1.67(58.58%) 0.001080154 - 1.327203449
364 RY*(5)C14 s(5.21%)p1.76(9.19%)d16.43(85.60%) 0.000758140 - 2.094240895
365 RY*(6)C14 s(2.90%)p6.83(19.82%)d26.63(77.28%) 0.000761343 - 1.764361518
366 RY*(7)C14 s(5.46%)p1.79(9.78%)d15.54(84.76%) 0.000626057 - 2.406959102
367 RY*(8)C14 s(27.16%)p0.47(12.72%)d2.21(60.12%) 0.000491617 - 1.731974651
368 RY*(9)C14 s(1.77%)p35.03(61.85%)d20.61(36.39%) 0.000458645 - 2.292982826
369 RY*(10)C14 s(2.37%)p9.12(21.58%)d32.13(76.05%) 0.000311411 - 2.400366255
370 RY*(11)C14 s(36.66%)p0.86(31.45%)d0.87(31.89%) 0.000156171 - 3.432764035
371 RY*(12)C14 s(3.99%)p16.64(66.34%)d7.44(29.67%) 0.000135157 - 2.032202256
372 RY*(13)C14 s(16.29%)p1.79(29.19%)d3.35(54.52%) 0.000101027 - 2.218941740
373 RY*(14)C14 s(19.50%)p1.44(28.17%)d2.68(52.33%) 0.000082067 - 1.702953956
374 RY*(15)C14 s(1.56%)p29.76(46.39%)d33.39(52.05%) 0.000060555 - 2.982020966
375 RY*(16)C14 s(4.87%)p7.54(36.76%)d11.98(58.37%) 0.000024357 - 3.031878698
376 RY*(17)C14 s(2.72%)p22.28(60.58%)d13.49(36.70%) 0.000024169 - 2.458984105
377 RY*(18)C14 s(6.07%)p6.12(37.12%)d9.37(56.81%) 0.000032087 - 1.598300479
378 RY*(19)C14 s(22.14%)p2.14(47.30%)d1.38(30.56%) 0.000022645 - 5.983143861
379 RY*(20)C14 s(0.17%)p99.99(90.39%)d57.00(9.44%) 0.000002529 - 2.671285264
380 RY*(21)C14 s(83.92%)p0.13(10.86%)d0.06(5.22%) 0.000003109 - 14.884751160
381 RY*(22)C14 s(14.03%)p0.76(10.64%)d5.37(75.33%) 0.000002172 - 2.967125911
382 RY*(1)C15 s(0.15%)p99.99(90.17%)d63.71(9.68%) 0.006432436 - 1.287421289
383 RY*(2)C15 s(0.16%)p99.99(96.65%)d19.78(3.19%) 0.002999251 - 1.047682880
384 RY*(3)C15 s(2.67%)p29.20(77.96%)d7.26(19.37%) 0.001212213 - 0.527247120
385 RY*(4)C15 s(57.01%)p0.10(5.69%)d0.65(37.30%) 0.000948042 - 1.757196420
386 RY*(5)C15 s(1.81%)p32.72(59.06%)d21.68(39.14%) 0.000536709 - 1.882654474
387 RY*(6)C15 s(1.29%)p1.92(2.48%)d74.58(96.23%) 0.000432831 - 2.524951583
388 RY*(7)C15 s(12.34%)p2.66(32.79%)d4.45(54.87%) 0.000361101 - 1.745577089
389 RY*(8)C15 s(14.90%)p4.04(60.22%)d1.67(24.88%) 0.000178489 - 1.641090115
390 RY*(9)C15 s(2.64%)p3.16(8.35%)d33.67(89.00%) 0.000165659 - 2.054825298
391 RY*(10)C15 s(32.88%)p1.53(50.35%)d0.51(16.76%) 0.000084872 - 2.395842831
392 RY*(11)C15 s(22.72%)p1.16(26.36%)d2.24(50.92%) 0.000075813 - 1.850638950
393 RY*(12)C15 s(20.95%)p1.75(36.62%)d2.03(42.43%) 0.000067668 - 1.326980430
394 RY*(13)C15 s(4.78%)p7.08(33.85%)d12.83(61.37%) 0.000029048 - 2.635414137
395 RY*(14)C15 s(1.82%)p35.73(65.13%)d18.13(33.05%) 0.000038903 - 1.714943510
396 RY*(15)C15 s(5.51%)p5.81(32.01%)d11.33(62.48%) 0.000007113 - 1.466936372
397 RY*(16)C15 s(1.66%)p7.75(12.83%)d51.64(85.52%) 0.000002964 - 2.385605279
398 RY*(17)C15 s(4.52%)p17.27(78.12%)d3.84(17.36%) 0.000009043 - 2.801002879
399 RY*(18)C15 s(0.39%)p30.48(12.02%)d99.99(87.59%) 0.000001700 - 2.357844045
400 RY*(19)C15 s(0.05%)p99.99(98.18%)d36.05(1.77%) 0.000003007 - 2.569523837
401 RY*(20)C15 s(94.75%)p0.04(4.13%)d0.01(1.12%) 0.000001728 - 20.271742053
402 RY*(21)C15 s(16.26%)p1.04(16.92%)d4.11(66.82%) 0.000005832 - 2.652423750
403 RY*(22)C15 s(0.87%)p0.35(0.31%)d99.99(98.82%) 0.000002621 - 3.507641859
404 RY*(1)C16 s(0.53%)p99.99(87.97%)d21.85(11.50%) 0.006078491 - 1.281432509
405 RY*(2)C16 s(0.27%)p99.99(99.41%)d1.18(0.32%) 0.002151546 - 1.309611090
406 RY*(3)C16 s(0.49%)p99.99(78.37%)d43.29(21.14%) 0.000932740 - 0.464695816
407 RY*(4)C16 s(24.58%)p1.31(32.19%)d1.76(43.23%) 0.000693170 - 1.566468879
408 RY*(5)C16 s(25.38%)p0.97(24.61%)d1.97(50.01%) 0.000594319 - 1.981193275
409 RY*(6)C16 s(0.37%)p2.06(0.76%)d99.99(98.87%) 0.000348874 - 2.798456532
410 RY*(7)C16 s(48.75%)p0.34(16.63%)d0.71(34.61%) 0.000192292 - 2.263309786
411 RY*(8)C16 s(43.32%)p0.08(3.64%)d1.22(53.04%) 0.000129117 - 2.266853615
412 RY*(9)C16 s(12.42%)p2.11(26.19%)d4.94(61.40%) 0.000095794 - 1.342940243
413 RY*(10)C16 s(0.20%)p99.99(27.40%)d99.99(72.40%) 0.000071916 - 1.435733532
414 RY*(11)C16 s(3.60%)p17.55(63.17%)d9.23(33.23%) 0.000050603 - 2.583881274
415 RY*(12)C16 s(8.85%)p8.04(71.17%)d2.26(19.98%) 0.000028010 - 2.766974309
416 RY*(13)C16 s(91.36%)p0.06(5.93%)d0.03(2.71%) 0.000003209 - 18.774273980
417 RY*(14)C16 s(0.50%)p71.80(35.94%)d99.99(63.56%) 0.000011907 - 2.712365942
418 RY*(15)C16 s(0.02%)p99.99(6.92%)d99.99(93.07%) 0.000002232 - 1.710310612
419 RY*(16)C16 s(0.03%)p38.85(1.10%)d99.99(98.87%) 0.000000900 - 2.943318498
420 RY*(17)C16 s(26.75%)p0.23(6.19%)d2.51(67.06%) 0.000009585 - 2.946098675
421 RY*(18)C16 s(5.29%)p8.13(42.97%)d9.79(51.74%) 0.000008178 - 1.313819535
422 RY*(19)C16 s(6.55%)p11.96(78.39%)d2.30(15.06%) 0.000008065 - 2.602216944
423 RY*(20)C16 s(0.01%)p99.99(95.34%)d99.99(4.65%) 0.000000221 - 2.749047956
424 RY*(21)C16 s(0.07%)p99.99(93.15%)d99.99(6.78%) 0.000001513 - 0.396511207
425 RY*(22)C16 s(0.81%)p3.40(2.74%)d99.99(96.46%) 0.000001634 - 3.540538938
426 RY*(1)C17 s(0.31%)p99.99(89.93%)d31.51(9.76%) 0.006115544 - 1.243862206
427 RY*(2)C17 s(0.12%)p99.99(99.42%)d3.97(0.46%) 0.002206987 - 1.327013162
428 RY*(3)C17 s(51.13%)p0.13(6.47%)d0.83(42.40%) 0.000869395 - 1.839528434
429 RY*(4)C17 s(0.64%)p96.30(61.85%)d58.40(37.51%) 0.000627498 - 0.990393029
430 RY*(5)C17 s(0.84%)p62.58(52.52%)d55.58(46.64%) 0.000603533 - 1.247284050
431 RY*(6)C17 s(0.05%)p50.17(2.41%)d99.99(97.54%) 0.000373652 - 2.492436673
432 RY*(7)C17 s(46.86%)p0.37(17.53%)d0.76(35.61%) 0.000177669 - 2.382038374
433 RY*(8)C17 s(39.42%)p0.12(4.74%)d1.42(55.85%) 0.000124381 - 1.446195211
434 RY*(9)C17 s(2.50%)p20.96(52.40%)d18.04(45.10%) 0.000046772 - 2.971049721
435 RY*(10)C17 s(8.85%)p2.08(18.39%)d8.22(72.77%) 0.000054012 - 2.182476055
436 RY*(11)C17 s(10.90%)p4.34(47.32%)d3.83(41.79%) 0.000031594 - 2.721337576
437 RY*(12)C17 s(4.62%)p9.85(45.53%)d10.78(49.85%) 0.000033263 - 1.919970175
438 RY*(13)C17 s(2.68%)p22.65(60.75%)d13.63(36.57%) 0.000005630 - 1.186031713
439 RY*(14)C17 s(0.01%)p1.00(54.71%)d0.83(45.28%) 0.000005077 - 1.836199327
440 RY*(15)C17 s(30.66%)p0.18(5.51%)d2.08(63.83%) 0.000011985 - 2.627175066
441 RY*(16)C17 s(91.08%)p0.04(3.96%)d0.05(4.96%) 0.000002694 - 19.387359085
442 RY*(17)C17 s(0.20%)p56.37(11.36%)d99.99(88.44%) 0.000001785 - 1.441177927
443 RY*(18)C17 s(8.62%)p9.04(77.89%)d1.57(13.49%) 0.000010639 - 3.032382699
444 RY*(19)C17 s(0.02%)p99.99(87.24%)d99.99(12.75%) 0.000000728 - 0.448793842
445 RY*(20)C17 s(0.07%)p99.99(95.11%)d68.58(4.82%) 0.000000443 - 2.704577680
446 RY*(21)C17 s(0.04%)p9.84(0.38%)d99.99(99.58%) 0.000000569 - 3.095014176
447 RY*(22)C17 s(0.52%)p9.21(4.77%)d99.99(94.71%) 0.000003141 - 3.366288258
448 RY*(1)C18 s(0.20%)p99.99(91.82%)d39.34(7.98%) 0.005919324 - 1.345224570
449 RY*(2)C18 s(0.45%)p99.99(96.78%)d6.22(2.77%) 0.002939458 - 1.129548476
450 RY*(3)C18 s(46.40%)p0.16(7.27%)d1.00(46.34%) 0.000773441 - 1.986679977
451 RY*(4)C18 s(13.02%)p4.90(63.86%)d1.78(23.12%) 0.000680166 - 0.990333895
452 RY*(5)C18 s(3.31%)p15.75(52.19%)d13.43(44.49%) 0.000597705 - 1.267881582
453 RY*(6)C18 s(0.65%)p4.05(2.64%)d99.99(96.70%) 0.000346757 - 2.697212973
454 RY*(7)C18 s(17.81%)p1.82(32.49%)d2.79(49.70%) 0.000329870 - 1.697980321
455 RY*(8)C18 s(5.35%)p6.82(36.48%)d10.87(58.17%) 0.000244083 - 1.438906291
456 RY*(9)C18 s(22.80%)p1.24(28.35%)d2.14(48.85%) 0.000173673 - 1.283228146
457 RY*(10)C18 s(13.02%)p3.52(45.83%)d3.16(41.15%) 0.000144643 - 1.977398023
458 RY*(11)C18 s(32.79%)p1.19(39.02%)d0.86(28.19%) 0.000090422 - 1.626380617
459 RY*(12)C18 s(17.58%)p1.95(34.35%)d2.73(48.07%) 0.000052985 - 1.923802098
460 RY*(13)C18 s(12.44%)p3.99(49.68%)d3.04(37.88%) 0.000050033 - 4.194798569
461 RY*(14)C18 s(0.88%)p13.96(12.29%)d98.62(86.83%) 0.000029900 - 3.000844911
462 RY*(15)C18 s(0.21%)p99.99(68.93%)d99.99(30.86%) 0.000018862 - 0.689664777
463 RY*(16)C18 s(2.60%)p4.18(10.85%)d33.31(86.55%) 0.000005196 - 2.269709977
464 RY*(17)C18 s(12.56%)p6.61(82.93%)d0.36(4.51%) 0.000013662 - 2.706470839
465 RY*(18)C18 s(3.07%)p2.38(7.31%)d29.17(89.62%) 0.000003038 - 2.561364038
466 RY*(19)C18 s(0.08%)p99.99(98.35%)d19.82(1.57%) 0.000001182 - 2.731306259
467 RY*(20)C18 s(87.46%)p0.11(9.70%)d0.03(2.84%) 0.000001916 - 18.757663895
468 RY*(21)C18 s(7.20%)p3.70(26.62%)d9.19(66.17%) 0.000009747 - 3.239236858
469 RY*(22)C18 s(0.22%)p10.86(2.44%)d99.99(97.33%) 0.000001985 - 3.450845951
470 RY*(1)H19 s(98.70%)p0.01(1.30%) 0.001458262 - 1.411909166
471 RY*(2)H19 s(86.75%)p0.15(13.25%) 0.000175179 - 2.037113097
472 RY*(3)H19 s(0.18%)p99.99(99.82%) 0.000175302 - 1.944758549
473 RY*(4)H19 s(4.46%)p21.42(95.54%) 0.000055542 - 2.618839574
474 RY*(5)H19 s(9.95%)p9.05(90.05%) 0.000035836 - 2.617381171
475 RY*(1)H20 s(98.50%)p0.02(1.50%) 0.000523603 - 1.195612639
476 RY*(2)H20 s(0.04%)p99.99(99.96%) 0.000196671 - 1.900273382
477 RY*(3)H20 s(92.54%)p0.08(7.46%) 0.000164495 - 2.106966843
478 RY*(4)H20 s(0.33%)p99.99(99.67%) 0.000049666 - 2.551080895
479 RY*(5)H20 s(8.63%)p10.59(91.37%) 0.000035658 - 2.627063700
480 RY*(1)H21 s(97.00%)p0.03(3.00%) 0.000420378 - 1.185390211
481 RY*(2)H21 s(0.04%)p99.99(99.96%) 0.000202557 - 1.899264075
482 RY*(3)H21 s(94.53%)p0.06(5.47%) 0.000164908 - 2.123897727
483 RY*(4)H21 s(0.72%)p99.99(99.28%) 0.000042385 - 2.553548706
484 RY*(5)H21 s(7.75%)p11.90(92.25%) 0.000037374 - 2.599640240
485 RY*(1)H22 s(99.47%)p0.01(0.53%) 0.000936683 - 1.283958661
486 RY*(2)H22 s(51.08%)p0.96(48.92%) 0.000190107 - 1.931158514
487 RY*(3)H22 s(40.41%)p1.47(59.59%) 0.000166155 - 1.926223443
488 RY*(4)H22 s(1.08%)p91.82(98.92%) 0.000035813 - 2.669367837
489 RY*(5)H22 s(8.01%)p11.49(91.99%) 0.000045659 - 2.603636592
490 RY*(1)N23 s(0.03%)p99.99(97.82%)d71.43(2.15%) 0.015331570 - 1.087664925
491 RY*(2)N23 s(8.24%)p7.31(60.18%)d3.83(31.58%) 0.009486283 - 1.256566974
492 RY*(3)N23 s(3.10%)p0.83(2.56%)d30.42(94.33%) 0.007265739 - 1.785931444
493 RY*(4)N23 s(16.66%)p2.12(35.41%)d2.88(47.93%) 0.003553174 - 1.773773911
494 RY*(5)N23 s(0.73%)p9.91(7.24%)d99.99(92.03%) 0.003171051 - 2.324832634
495 RY*(6)N23 s(0.24%)p99.99(68.84%)d99.99(30.92%) 0.001856352 - 0.972175249
496 RY*(7)N23 s(2.29%)p8.86(20.27%)d33.83(77.44%) 0.000541778 - 1.780131352
497 RY*(8)N23 s(6.72%)p2.60(17.46%)d11.28(75.81%) 0.000400175 - 1.875224498
498 RY*(9)N23 s(70.52%)p0.27(19.25%)d0.15(10.24%) 0.000256747 - 1.523616355
499 RY*(10)N23 s(1.16%)p54.73(63.65%)d30.26(35.19%) 0.000108359 - 2.109773592
500 RY*(11)N23 s(26.88%)p1.68(45.29%)d1.04(27.82%) 0.000048748 - 1.690369154
501 RY*(12)N23 s(3.44%)p25.28(86.98%)d2.78(9.58%) 0.000031984 - 1.627734236
502 RY*(13)N23 s(42.67%)p0.76(32.43%)d0.58(24.90%) 0.000019288 - 2.251486430
503 RY*(14)N23 s(0.14%)p99.99(34.05%)d99.99(65.81%) 0.000017934 - 3.438604928
504 RY*(15)N23 s(3.54%)p26.69(94.44%)d0.57(2.02%) 0.000013012 - 3.790852424
505 RY*(16)N23 s(3.18%)p1.54(4.89%)d28.88(91.93%) 0.000003472 - 4.577819211
506 RY*(17)N23 s(0.27%)p99.99(98.72%)d3.72(1.01%) 0.000003922 - 3.731639755
507 RY*(18)N23 s(0.21%)p20.11(4.13%)d99.99(95.66%) 0.000001406 - 4.500488007
508 RY*(19)N23 s(97.09%)p0.01(0.74%)d0.02(2.17%) 0.000000648 - 33.996862593
509 RY*(20)N23 s(12.49%)p0.40(5.05%)d6.61(82.47%) 0.000007382 - 4.330049798
510 RY*(21)N23 s(0.29%)p99.99(93.15%)d22.29(6.55%) 0.000001607 - 3.863742374
511 RY*(22)N23 s(0.30%)p26.07(7.71%)d99.99(91.99%) 0.000003110 - 4.337939050
512 RY*(1)O24 s(11.82%)p7.28(85.98%)d0.19(2.20%) 0.003267049 - 0.774405332
513 RY*(2)O24 s(0.28%)p99.99(94.45%)d19.13(5.28%) 0.001936883 - 0.913393883
514 RY*(3)O24 s(43.90%)p0.84(36.70%)d0.44(19.39%) 0.000702235 - 1.025818957
515 RY*(4)O24 s(51.53%)p0.78(40.02%)d0.16(8.45%) 0.000224143 - 1.703676955
516 RY*(5)O24 s(0.17%)p99.99(46.81%)d99.99(53.02%) 0.000154847 - 1.479854666
517 RY*(6)O24 s(10.11%)p2.56(25.86%)d6.33(64.03%) 0.000123220 - 1.510583683
518 RY*(7)O24 s(4.71%)p10.42(49.07%)d9.82(46.22%) 0.000080083 - 1.516092330
519 RY*(8)O24 s(7.64%)p5.72(43.74%)d6.36(48.62%) 0.000041454 - 3.088676209
520 RY*(9)O24 s(0.73%)p99.99(76.03%)d31.86(23.24%) 0.000017892 - 1.252600100
521 RY*(10)O24 s(3.52%)p22.30(78.53%)d5.09(17.95%) 0.000009615 - 1.291595059
522 RY*(11)O24 s(22.07%)p1.44(31.72%)d2.09(46.21%) 0.000015533 - 2.659919520
523 RY*(12)O24 s(14.08%)p5.84(82.18%)d0.27(3.74%) 0.000001945 - 4.295456471
524 RY*(13)O24 s(15.66%)p4.92(77.06%)d0.47(7.28%) 0.000004246 - 4.244177633
525 RY*(14)O24 s(2.08%)p1.84(3.84%)d45.12(94.07%) 0.000001006 - 6.563846075
526 RY*(15)O24 s(3.16%)p3.49(11.01%)d27.19(85.83%) 0.000006431 - 1.759770324
527 RY*(16)O24 s(0.79%)p1.91(1.50%)d99.99(97.71%) 0.000000270 - 6.747568161
528 RY*(17)O24 s(1.03%)p89.68(92.55%)d6.22(6.42%) 0.000001538 - 4.801616087
529 RY*(18)O24 s(1.30%)p1.95(2.52%)d74.14(96.18%) 0.000000530 - 6.562179091
530 RY*(19)O24 s(99.82%)p0.00(0.10%)d0.00(0.08%) 0.000000026 - 49.286279448
531 RY*(20)O24 s(1.79%)p1.12(2.00%)d53.87(96.22%) 0.000000399 - 6.629881333
532 RY*(21)O24 s(3.38%)p5.11(17.29%)d23.44(79.32%) 0.000003932 - 1.754432026
533 RY*(22)O24 s(0.41%)p4.81(1.99%)d99.99(97.60%) 0.000000260 - 6.681220694
534 RY*(1)O25 s(9.04%)p9.84(88.94%)d0.22(2.02%) 0.003457329 - 0.768283312
535 RY*(2)O25 s(0.47%)p99.99(94.48%)d10.76(5.05%) 0.001689727 - 0.934317259
536 RY*(3)O25 s(27.75%)p2.11(58.58%)d0.49(13.67%) 0.000690389 - 0.963718898
537 RY*(4)O25 s(4.71%)p10.98(51.78%)d9.23(43.51%) 0.000234951 - 1.341777601
538 RY*(5)O25 s(18.23%)p1.59(28.91%)d2.90(52.86%) 0.000141918 - 1.465404225
539 RY*(6)O25 s(45.04%)p0.59(26.53%)d0.63(28.43%) 0.000122533 - 1.877118979
540 RY*(7)O25 s(33.95%)p0.95(32.08%)d1.00(33.97%) 0.000071086 - 2.400358754
541 RY*(8)O25 s(1.86%)p14.49(26.94%)d38.32(71.20%) 0.000057447 - 2.061932997
542 RY*(9)O25 s(0.97%)p77.47(74.81%)d25.08(24.22%) 0.000032147 - 1.407933443
543 RY*(10)O25 s(19.20%)p2.70(51.83%)d1.51(28.97%) 0.000033574 - 2.090035560
544 RY*(11)O25 s(2.68%)p4.95(13.26%)d31.37(84.06%) 0.000013518 - 2.116621143
545 RY*(12)O25 s(3.13%)p24.20(75.76%)d6.74(21.11%) 0.000014351 - 1.505912215
546 RY*(13)O25 s(99.79%)p0.00(0.06%)d0.00(0.14%) 0.000000019 - 49.354187601
547 RY*(14)O25 s(0.76%)p3.52(2.68%)d99.99(96.56%) 0.000001754 - 6.543538054
548 RY*(15)O25 s(1.84%)p50.11(92.11%)d3.29(6.06%) 0.000001422 - 4.918238827
549 RY*(16)O25 s(0.40%)p5.64(2.27%)d99.99(97.33%) 0.000000143 - 6.707683719
550 RY*(17)O25 s(20.49%)p3.76(77.01%)d0.12(2.51%) 0.000006851 - 4.128386402
551 RY*(18)O25 s(0.48%)p3.24(1.54%)d99.99(97.98%) 0.000000853 - 6.604280598
552 RY*(19)O25 s(3.89%)p23.00(89.53%)d1.69(6.58%) 0.000003544 - 4.681851557
553 RY*(20)O25 s(1.72%)p1.41(2.42%)d55.72(95.86%) 0.000000489 - 6.621663160
554 RY*(21)O25 s(3.57%)p2.28(8.13%)d24.77(88.30%) 0.000006726 - 1.845499752
555 RY*(22)O25 s(0.02%)p80.75(1.31%)d99.99(98.68%) 0.000000810 - 6.669312869
556 RY*(1)H26 s(99.96%)p0.00(0.04%) 0.003136138 - 0.599603914
557 RY*(2)H26 s(68.75%)p0.45(31.25%) 0.000318097 - 2.182210396
558 RY*(3)H26 s(10.87%)p8.20(89.13%) 0.000147361 - 2.123118250
559 RY*(4)H26 s(19.88%)p4.03(80.12%) 0.000082359 - 2.441971731
560 RY*(5)H26 s(0.57%)p99.99(99.43%) 0.000068000 - 2.963981438
561 RY*(1)H27 s(98.83%)p0.01(1.17%) 0.000900428 - 1.402151079
562 RY*(2)H27 s(37.98%)p1.63(62.02%) 0.000246875 - 1.825811974
563 RY*(3)H27 s(55.07%)p0.82(44.93%) 0.000144098 - 1.999258298
564 RY*(4)H27 s(5.52%)p17.12(94.48%) 0.000058841 - 2.745921732
565 RY*(5)H27 s(2.64%)p36.90(97.36%) 0.000037982 - 2.623817268
566 RY*(1)H28 s(99.68%)p0.00(0.32%) 0.000929560 - 1.483665667
567 RY*(2)H28 s(0.77%)p99.99(99.23%) 0.000213376 - 1.956836482
568 RY*(3)H28 s(89.69%)p0.11(10.31%) 0.000145240 - 1.868967706
569 RY*(4)H28 s(9.77%)p9.24(90.23%) 0.000042456 - 2.606070022
570 RY*(5)H28 s(0.14%)p99.99(99.86%) 0.000037364 - 2.655755748
571 RY*(1)H29 s(93.50%)p0.07(6.50%) 0.000358057 - 0.597322954
572 RY*(2)H29 s(67.59%)p0.48(32.41%) 0.000162592 - 2.075851026
573 RY*(3)H29 s(0.00%)p1.00(100.00%) 0.000123824 - 1.808206207
574 RY*(4)H29 s(34.56%)p1.89(65.44%) 0.000056426 - 2.093103595
575 RY*(5)H29 s(4.40%)p21.73(95.60%) 0.000017506 - 2.652772897
576 RY*(1)H30 s(97.34%)p0.03(2.66%) 0.001552043 - 0.566926378
577 RY*(2)H30 s(45.92%)p1.18(54.08%) 0.000212647 - 2.090412525
578 RY*(3)H30 s(9.40%)p9.64(90.60%) 0.000104728 - 1.906466228
579 RY*(4)H30 s(46.23%)p1.16(53.77%) 0.000080739 - 2.004844737
580 RY*(5)H30 s(1.17%)p84.69(98.83%) 0.000036993 - 2.798600346
581 RY*(1)H31 s(97.38%)p0.03(2.62%) 0.001550109 - 0.565016582
582 RY*(2)H31 s(45.28%)p1.21(54.72%) 0.000211396 - 2.087181097
583 RY*(3)H31 s(8.70%)p10.50(91.30%) 0.000104661 - 1.907468528
584 RY*(4)H31 s(47.38%)p1.11(52.62%) 0.000080027 - 2.005648620
585 RY*(5)H31 s(1.31%)p75.50(98.69%) 0.000036485 - 2.799032902

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-O2 1, 2 1.992931865 - -0.831238460
2 BD(1)C1-H29 3, 4 1.991339169 - -0.536664778
3 BD(1)C1-H30 5, 6 1.994399281 - -0.540506069
4 BD(1)C1-H31 7, 8 1.994387212 - -0.540449295
5 BD(1)O2-C3 9, 10 1.991536789 - -0.909768585
6 BD(1)C3-C4 11, 12 1.972146435 - -0.703834078
7 BD(1)C3-C8 13, 14 1.977614409 - -0.715852043
8 BD(2)C3-C8 15, 16 1.653537807 - -0.266292372
9 BD(1)C4-C5 17, 18 1.974452112 - -0.710444750
10 BD(2)C4-C5 19, 20 1.720166117 - -0.260567030
11 BD(1)C4-H28 21, 22 1.976140052 - -0.518259399
12 BD(1)C5-C6 23, 24 1.973961046 - -0.695931333
13 BD(1)C5-H27 25, 26 1.976874726 - -0.522064749
14 BD(1)C6-C7 27, 28 1.972310693 - -0.696559204
15 BD(2)C6-C7 29, 30 1.634816685 - -0.254319279
16 BD(1)C6-N11 31, 32 1.980010186 - -0.774768190
17 BD(1)C7-C8 33, 34 1.973580259 - -0.705435755
18 BD(1)C7-H10 35, 36 1.977381767 - -0.516619572
19 BD(1)C8-H9 37, 38 1.976002025 - -0.529430837
20 BD(1)N11-C12 39, 40 1.985788269 - -0.896106221
21 BD(2)N11-C12 41, 42 1.899578705 - -0.333487916
22 BD(1)C12-C13 43, 44 1.972581965 - -0.676596096
23 BD(1)C12-H26 45, 46 1.984212205 - -0.545914624
24 BD(1)C13-C14 47, 48 1.970886184 - -0.736137035
25 BD(2)C13-C14 49, 50 1.632257797 - -0.287964173
26 BD(1)C13-C18 51, 52 1.967568233 - -0.711045821
27 BD(1)C14-C15 53, 54 1.971529693 - -0.738734244
28 BD(1)C14-N23 55, 56 1.987260092 - -0.820308239
29 BD(1)C15-C16 57, 58 1.975229482 - -0.730355078
30 BD(2)C15-C16 59, 60 1.651313868 - -0.279420061
31 BD(1)C15-H22 61, 62 1.974887024 - -0.542298570
32 BD(1)C16-C17 63, 64 1.979284224 - -0.722584867
33 BD(1)C16-H21 65, 66 1.979173459 - -0.541112589
34 BD(1)C17-C18 67, 68 1.979264806 - -0.728003158
35 BD(2)C17-C18 69, 70 1.645290561 - -0.275105201
36 BD(1)C17-H20 71, 72 1.979256446 - -0.538775056
37 BD(1)C18-H19 73, 74 1.975943049 - -0.528011511
38 BD(1)N23-O24 75, 76 1.995475229 - -1.095883044
39 BD(2)N23-O24 77, 78 1.986060501 - -0.478077648
40 BD(1)N23-O25 79, 80 1.993428039 - -1.091817437
41 CR(1)C1 81 1.999247476 - -10.109053187
42 CR(1)O2 82 1.999706814 - -18.964099480
43 CR(1)C3 83 1.998785958 - -10.109513270
44 CR(1)C4 84 1.999063089 - -10.031564172
45 CR(1)C5 85 1.999058751 - -10.035594372
46 CR(1)C6 86 1.998915028 - -10.067884774
47 CR(1)C7 87 1.999071165 - -10.033712812
48 CR(1)C8 88 1.999044694 - -10.035289663
49 CR(1)N11 89 1.999288084 - -14.133095130
50 CR(1)C12 90 1.999133373 - -10.089650674
51 CR(1)C13 91 1.998913971 - -10.073951859
52 CR(1)C14 92 1.998707167 - -10.114010441
53 CR(1)C15 93 1.999040242 - -10.059100231
54 CR(1)C16 94 1.999154546 - -10.057706935
55 CR(1)C17 95 1.999148719 - -10.057174260
56 CR(1)C18 96 1.999078709 - -10.050884528
57 CR(1)N23 97 1.999426252 - -14.415917072
58 CR(1)O24 98 1.999791348 - -18.955852560
59 CR(1)O25 99 1.999792220 - -18.957556875
60 LP(1)O2 100 1.963910369 - -0.553536636
61 LP(2)O2 101 1.838598670 - -0.323433511
62 LP(1)N11 102 1.899956089 - -0.349705842
63 LP(1)O24 103 1.981646917 - -0.818743556
64 LP(2)O24 104 1.899010629 - -0.309693439
65 LP(1)O25 105 1.980057500 - -0.819952453
66 LP(2)O25 106 1.900207302 - -0.311720993
67 LP(3)O25 107 1.442694862 - -0.298340336
68 RY*(1)C1 108 0.002543082 - 1.152660357
69 RY*(2)C1 109 0.001949246 - 1.574445126
70 RY*(3)C1 110 0.001566356 - 0.834185547
71 RY*(4)C1 111 0.000395146 - 1.762055903
72 RY*(5)C1 112 0.000310163 - 0.624573627
73 RY*(6)C1 113 0.000139424 - 1.404414818
74 RY*(7)C1 114 0.000048795 - 2.922570887
75 RY*(8)C1 115 0.000000198 - 22.420139378
76 RY*(9)C1 116 0.000008426 - 1.716427050
77 RY*(10)C1 117 0.000002385 - 1.399926740
78 RY*(11)C1 118 0.000007084 - 1.559321824
79 RY*(12)C1 119 0.000001189 - 2.773061332
80 RY*(13)C1 120 0.000005014 - 1.526384017
81 RY*(14)C1 121 0.000002068 - 2.731790813
82 RY*(15)C1 122 0.000005767 - 2.089715981
83 RY*(16)C1 123 0.000009635 - 2.704520064
84 RY*(17)C1 124 0.000002044 - 1.969554967
85 RY*(18)C1 125 0.000001114 - 2.400781545
86 RY*(19)C1 126 0.000009984 - 0.963120268
87 RY*(20)C1 127 0.000003515 - 2.758760832
88 RY*(21)C1 128 0.000001143 - 2.569623539
89 RY*(22)C1 129 0.000004217 - 2.669826332
90 RY*(1)O2 130 0.004420825 - 0.758730861
91 RY*(2)O2 131 0.003432819 - 0.804703822
92 RY*(3)O2 132 0.001092597 - 1.370863100
93 RY*(4)O2 133 0.000768771 - 0.915376713
94 RY*(5)O2 134 0.000274913 - 1.856704366
95 RY*(6)O2 135 0.000159528 - 2.453876150
96 RY*(7)O2 136 0.000134076 - 2.007485690
97 RY*(8)O2 137 0.000107558 - 3.504783783
98 RY*(9)O2 138 0.000047868 - 2.466370488
99 RY*(10)O2 139 0.000047058 - 2.689455009
100 RY*(11)O2 140 0.000028578 - 1.954640558
101 RY*(12)O2 141 0.000021654 - 4.471152755
102 RY*(13)O2 142 0.000003364 - 4.405149643
103 RY*(14)O2 143 0.000004940 - 5.655648820
104 RY*(15)O2 144 0.000000097 - 2.117813741
105 RY*(16)O2 145 0.000004277 - 2.869299865
106 RY*(17)O2 146 0.000000046 - 49.244700870
107 RY*(18)O2 147 0.000000076 - 6.638185430
108 RY*(19)O2 148 0.000003499 - 2.398227375
109 RY*(20)O2 149 0.000000338 - 6.009967957
110 RY*(21)O2 150 0.000000290 - 4.916684988
111 RY*(22)O2 151 0.000000236 - 6.692117413
112 RY*(1)C3 152 0.006667960 - 1.310601860
113 RY*(2)C3 153 0.003978254 - 1.540971252
114 RY*(3)C3 154 0.001669984 - 1.782332366
115 RY*(4)C3 155 0.001481911 - 1.978985751
116 RY*(5)C3 156 0.000723926 - 2.441266744
117 RY*(6)C3 157 0.000606155 - 3.123380759
118 RY*(7)C3 158 0.000505347 - 2.617303990
119 RY*(8)C3 159 0.000399379 - 0.957405341
120 RY*(9)C3 160 0.000333370 - 1.727780578
121 RY*(10)C3 161 0.000122789 - 2.985922740
122 RY*(11)C3 162 0.000106244 - 3.033528318
123 RY*(12)C3 163 0.000074177 - 4.435308497
124 RY*(13)C3 164 0.000082674 - 1.768303999
125 RY*(14)C3 165 0.000036711 - 5.076866925
126 RY*(15)C3 166 0.000018851 - 2.128146532
127 RY*(16)C3 167 0.000027376 - 1.599366834
128 RY*(17)C3 168 0.000002387 - 13.504583923
129 RY*(18)C3 169 0.000000230 - 1.681495319
130 RY*(19)C3 170 0.000009792 - 2.741867122
131 RY*(20)C3 171 0.000000289 - 1.294296012
132 RY*(21)C3 172 0.000000135 - 2.742276704
133 RY*(22)C3 173 0.000002763 - 3.354038183
134 RY*(1)C4 174 0.006082782 - 1.328119770
135 RY*(2)C4 175 0.002912888 - 1.137543832
136 RY*(3)C4 176 0.000880439 - 1.629034450
137 RY*(4)C4 177 0.000807376 - 1.001296398
138 RY*(5)C4 178 0.000386928 - 2.516248930
139 RY*(6)C4 179 0.000350740 - 2.372685341
140 RY*(7)C4 180 0.000163422 - 1.090462910
141 RY*(8)C4 181 0.000157342 - 2.213462149
142 RY*(9)C4 182 0.000108878 - 1.946507165
143 RY*(10)C4 183 0.000099443 - 2.116101257
144 RY*(11)C4 184 0.000050221 - 2.893776896
145 RY*(12)C4 185 0.000035229 - 2.100322833
146 RY*(13)C4 186 0.000022523 - 2.226053657
147 RY*(14)C4 187 0.000014021 - 1.420924432
148 RY*(15)C4 188 0.000019786 - 1.984628513
149 RY*(16)C4 189 0.000004057 - 1.878048559
150 RY*(17)C4 190 0.000001844 - 18.945107715
151 RY*(18)C4 191 0.000001121 - 3.198845925
152 RY*(19)C4 192 0.000002018 - 2.463772573
153 RY*(20)C4 193 0.000005876 - 2.523087812
154 RY*(21)C4 194 0.000009843 - 2.754440602
155 RY*(22)C4 195 0.000001754 - 3.303076644
156 RY*(1)C5 196 0.004810498 - 1.349436396
157 RY*(2)C5 197 0.001944264 - 1.479437760
158 RY*(3)C5 198 0.000739178 - 0.871593155
159 RY*(4)C5 199 0.000681143 - 1.626147192
160 RY*(5)C5 200 0.000487957 - 2.074161108
161 RY*(6)C5 201 0.000411403 - 1.428831393
162 RY*(7)C5 202 0.000305969 - 2.145723324
163 RY*(8)C5 203 0.000161413 - 2.002940792
164 RY*(9)C5 204 0.000114799 - 2.880361733
165 RY*(10)C5 205 0.000082954 - 1.977809448
166 RY*(11)C5 206 0.000062626 - 2.026260609
167 RY*(12)C5 207 0.000055574 - 2.741682052
168 RY*(13)C5 208 0.000039351 - 2.834879372
169 RY*(14)C5 209 0.000030785 - 2.402822964
170 RY*(15)C5 210 0.000015519 - 2.391466886
171 RY*(16)C5 211 0.000014641 - 2.882512434
172 RY*(17)C5 212 0.000004800 - 2.398308663
173 RY*(18)C5 213 0.000005404 - 2.753547250
174 RY*(19)C5 214 0.000002365 - 2.874723870
175 RY*(20)C5 215 0.000008540 - 3.925460778
176 RY*(21)C5 216 0.000004382 - 15.054446816
177 RY*(22)C5 217 0.000002973 - 3.492075682
178 RY*(1)C6 218 0.007683807 - 1.293202797
179 RY*(2)C6 219 0.005443651 - 1.335265471
180 RY*(3)C6 220 0.002060277 - 1.813634921
181 RY*(4)C6 221 0.001479743 - 1.188870001
182 RY*(5)C6 222 0.000967016 - 1.905916397
183 RY*(6)C6 223 0.000763818 - 2.001807951
184 RY*(7)C6 224 0.000551558 - 1.970060090
185 RY*(8)C6 225 0.000424367 - 3.026476609
186 RY*(9)C6 226 0.000228694 - 1.942041701
187 RY*(10)C6 227 0.000120344 - 3.228285306
188 RY*(11)C6 228 0.000094241 - 3.086035781
189 RY*(12)C6 229 0.000079346 - 3.042454445
190 RY*(13)C6 230 0.000048275 - 1.389279213
191 RY*(14)C6 231 0.000026579 - 1.080833873
192 RY*(15)C6 232 0.000035042 - 3.883815454
193 RY*(16)C6 233 0.000026244 - 2.368466881
194 RY*(17)C6 234 0.000018380 - 1.899694079
195 RY*(18)C6 235 0.000002426 - 2.877968898
196 RY*(19)C6 236 0.000004445 - 16.951627910
197 RY*(20)C6 237 0.000006669 - 3.114756326
198 RY*(21)C6 238 0.000003983 - 1.571772602
199 RY*(22)C6 239 0.000002267 - 3.301072250
200 RY*(1)C7 240 0.006200568 - 1.296192406
201 RY*(2)C7 241 0.003081873 - 1.043432047
202 RY*(3)C7 242 0.000825849 - 0.881770571
203 RY*(4)C7 243 0.000754675 - 1.776349262
204 RY*(5)C7 244 0.000496648 - 1.399863672
205 RY*(6)C7 245 0.000487162 - 2.785044855
206 RY*(7)C7 246 0.000236585 - 2.355830790
207 RY*(8)C7 247 0.000169918 - 1.176253407
208 RY*(9)C7 248 0.000125401 - 2.405802307
209 RY*(10)C7 249 0.000099116 - 2.287327264
210 RY*(11)C7 250 0.000071831 - 2.176591533
211 RY*(12)C7 251 0.000042987 - 2.682237958
212 RY*(13)C7 252 0.000014001 - 2.665858607
213 RY*(14)C7 253 0.000014516 - 1.798877645
214 RY*(15)C7 254 0.000020365 - 2.284964371
215 RY*(16)C7 255 0.000017128 - 2.117212148
216 RY*(17)C7 256 0.000004662 - 2.923041760
217 RY*(18)C7 257 0.000011784 - 0.550449986
218 RY*(19)C7 258 0.000011673 - 2.658497076
219 RY*(20)C7 259 0.000000589 - 3.363322864
220 RY*(21)C7 260 0.000002573 - 19.240721456
221 RY*(22)C7 261 0.000001168 - 3.376644207
222 RY*(1)C8 262 0.004762111 - 1.348708160
223 RY*(2)C8 263 0.001627913 - 1.616137910
224 RY*(3)C8 264 0.001256316 - 0.408807139
225 RY*(4)C8 265 0.000744276 - 1.874413508
226 RY*(5)C8 266 0.000484299 - 2.157573035
227 RY*(6)C8 267 0.000381927 - 1.574183739
228 RY*(7)C8 268 0.000250495 - 1.708336248
229 RY*(8)C8 269 0.000198468 - 0.789789251
230 RY*(9)C8 270 0.000179720 - 1.331638397
231 RY*(10)C8 271 0.000081217 - 2.692154006
232 RY*(11)C8 272 0.000075077 - 2.308231672
233 RY*(12)C8 273 0.000044934 - 3.930102607
234 RY*(13)C8 274 0.000038206 - 3.115260949
235 RY*(14)C8 275 0.000010792 - 2.551040723
236 RY*(15)C8 276 0.000010886 - 1.155951489
237 RY*(16)C8 277 0.000018368 - 2.572031858
238 RY*(17)C8 278 0.000006682 - 1.889039847
239 RY*(18)C8 279 0.000014411 - 2.971445115
240 RY*(19)C8 280 0.000000174 - 2.936155667
241 RY*(20)C8 281 0.000000276 - 3.330605624
242 RY*(21)C8 282 0.000004737 - 17.692817615
243 RY*(22)C8 283 0.000002330 - 3.519012409
244 RY*(1)H9 284 0.000839321 - 1.200111914
245 RY*(2)H9 285 0.000247947 - 1.953504834
246 RY*(3)H9 286 0.000150002 - 1.942651484
247 RY*(4)H9 287 0.000063458 - 2.768200018
248 RY*(5)H9 288 0.000035641 - 2.647654156
249 RY*(1)H10 289 0.001028725 - 1.359111168
250 RY*(2)H10 290 0.000184752 - 1.950100227
251 RY*(3)H10 291 0.000165762 - 2.153726295
252 RY*(4)H10 292 0.000042733 - 2.533050440
253 RY*(5)H10 293 0.000035006 - 2.644180529
254 RY*(1)N11 294 0.006870912 - 0.923123110
255 RY*(2)N11 295 0.002084695 - 1.277785196
256 RY*(3)N11 296 0.000927851 - 1.621727994
257 RY*(4)N11 297 0.000613330 - 1.782154338
258 RY*(5)N11 298 0.000388855 - 1.509456183
259 RY*(6)N11 299 0.000262932 - 1.731325692
260 RY*(7)N11 300 0.000161701 - 1.798312918
261 RY*(8)N11 301 0.000164690 - 1.955007067
262 RY*(9)N11 302 0.000116625 - 2.524321531
263 RY*(10)N11 303 0.000086637 - 1.305889307
264 RY*(11)N11 304 0.000066426 - 2.153932741
265 RY*(12)N11 305 0.000036559 - 3.882304887
266 RY*(13)N11 306 0.000027625 - 1.161586433
267 RY*(14)N11 307 0.000035019 - 4.089668996
268 RY*(15)N11 308 0.000018771 - 3.876073546
269 RY*(16)N11 309 0.000005608 - 3.854662277
270 RY*(17)N11 310 0.000014340 - 1.853518018
271 RY*(18)N11 311 0.000000582 - 4.763973028
272 RY*(19)N11 312 0.000000208 - 35.016631313
273 RY*(20)N11 313 0.000005547 - 4.353573907
274 RY*(21)N11 314 0.000002564 - 3.892658632
275 RY*(22)N11 315 0.000001912 - 4.935861405
276 RY*(1)C12 316 0.006653718 - 1.243961008
277 RY*(2)C12 317 0.004608530 - 1.180043460
278 RY*(3)C12 318 0.001614509 - 0.931689687
279 RY*(4)C12 319 0.001437674 - 1.041739397
280 RY*(5)C12 320 0.000606544 - 1.888270914
281 RY*(6)C12 321 0.000505139 - 1.961548898
282 RY*(7)C12 322 0.000469210 - 1.634734481
283 RY*(8)C12 323 0.000248734 - 2.074965060
284 RY*(9)C12 324 0.000198530 - 2.362765167
285 RY*(10)C12 325 0.000151750 - 2.379405053
286 RY*(11)C12 326 0.000104705 - 1.208959767
287 RY*(12)C12 327 0.000086375 - 2.358768159
288 RY*(13)C12 328 0.000057283 - 0.947794251
289 RY*(14)C12 329 0.000047912 - 2.601350570
290 RY*(15)C12 330 0.000015829 - 1.182181447
291 RY*(16)C12 331 0.000014820 - 4.329238980
292 RY*(17)C12 332 0.000013142 - 2.614201018
293 RY*(18)C12 333 0.000004237 - 3.377442784
294 RY*(19)C12 334 0.000005478 - 2.856905037
295 RY*(20)C12 335 0.000011889 - 2.616800566
296 RY*(21)C12 336 0.000002757 - 18.752496003
297 RY*(22)C12 337 0.000001521 - 3.480198657
298 RY*(1)C13 338 0.007604621 - 1.359303642
299 RY*(2)C13 339 0.005580020 - 1.344020448
300 RY*(3)C13 340 0.001131969 - 1.648222011
301 RY*(4)C13 341 0.000944303 - 0.798005886
302 RY*(5)C13 342 0.000832177 - 2.633670420
303 RY*(6)C13 343 0.000666330 - 2.264980721
304 RY*(7)C13 344 0.000492736 - 2.282694008
305 RY*(8)C13 345 0.000439878 - 2.132001635
306 RY*(9)C13 346 0.000300864 - 2.302001796
307 RY*(10)C13 347 0.000239879 - 1.916528955
308 RY*(11)C13 348 0.000140057 - 2.514879493
309 RY*(12)C13 349 0.000113893 - 3.207634505
310 RY*(13)C13 350 0.000072738 - 2.701145233
311 RY*(14)C13 351 0.000056184 - 2.978332362
312 RY*(15)C13 352 0.000038319 - 3.331379214
313 RY*(16)C13 353 0.000035976 - 1.774403050
314 RY*(17)C13 354 0.000018548 - 1.029383823
315 RY*(18)C13 355 0.000008907 - 1.964232583
316 RY*(19)C13 356 0.000004962 - 18.749617299
317 RY*(20)C13 357 0.000005030 - 2.479702588
318 RY*(21)C13 358 0.000014234 - 2.676795991
319 RY*(22)C13 359 0.000003391 - 3.357192624
320 RY*(1)C14 360 0.006737640 - 1.257536065
321 RY*(2)C14 361 0.006740640 - 1.131995729
322 RY*(3)C14 362 0.001420672 - 1.056193145
323 RY*(4)C14 363 0.001080154 - 1.327203449
324 RY*(5)C14 364 0.000758140 - 2.094240895
325 RY*(6)C14 365 0.000761343 - 1.764361518
326 RY*(7)C14 366 0.000626057 - 2.406959102
327 RY*(8)C14 367 0.000491617 - 1.731974651
328 RY*(9)C14 368 0.000458645 - 2.292982826
329 RY*(10)C14 369 0.000311411 - 2.400366255
330 RY*(11)C14 370 0.000156171 - 3.432764035
331 RY*(12)C14 371 0.000135157 - 2.032202256
332 RY*(13)C14 372 0.000101027 - 2.218941740
333 RY*(14)C14 373 0.000082067 - 1.702953956
334 RY*(15)C14 374 0.000060555 - 2.982020966
335 RY*(16)C14 375 0.000024357 - 3.031878698
336 RY*(17)C14 376 0.000024169 - 2.458984105
337 RY*(18)C14 377 0.000032087 - 1.598300479
338 RY*(19)C14 378 0.000022645 - 5.983143861
339 RY*(20)C14 379 0.000002529 - 2.671285264
340 RY*(21)C14 380 0.000003109 - 14.884751160
341 RY*(22)C14 381 0.000002172 - 2.967125911
342 RY*(1)C15 382 0.006432436 - 1.287421289
343 RY*(2)C15 383 0.002999251 - 1.047682880
344 RY*(3)C15 384 0.001212213 - 0.527247120
345 RY*(4)C15 385 0.000948042 - 1.757196420
346 RY*(5)C15 386 0.000536709 - 1.882654474
347 RY*(6)C15 387 0.000432831 - 2.524951583
348 RY*(7)C15 388 0.000361101 - 1.745577089
349 RY*(8)C15 389 0.000178490 - 1.641090115
350 RY*(9)C15 390 0.000165659 - 2.054825298
351 RY*(10)C15 391 0.000084872 - 2.395842831
352 RY*(11)C15 392 0.000075813 - 1.850638950
353 RY*(12)C15 393 0.000067668 - 1.326980430
354 RY*(13)C15 394 0.000029049 - 2.635414137
355 RY*(14)C15 395 0.000038903 - 1.714943510
356 RY*(15)C15 396 0.000007113 - 1.466936372
357 RY*(16)C15 397 0.000002964 - 2.385605279
358 RY*(17)C15 398 0.000009043 - 2.801002879
359 RY*(18)C15 399 0.000001700 - 2.357844045
360 RY*(19)C15 400 0.000003007 - 2.569523837
361 RY*(20)C15 401 0.000001728 - 20.271742053
362 RY*(21)C15 402 0.000005832 - 2.652423750
363 RY*(22)C15 403 0.000002621 - 3.507641859
364 RY*(1)C16 404 0.006078491 - 1.281432509
365 RY*(2)C16 405 0.002151546 - 1.309611090
366 RY*(3)C16 406 0.000932740 - 0.464695816
367 RY*(4)C16 407 0.000693170 - 1.566468879
368 RY*(5)C16 408 0.000594319 - 1.981193275
369 RY*(6)C16 409 0.000348874 - 2.798456532
370 RY*(7)C16 410 0.000192292 - 2.263309786
371 RY*(8)C16 411 0.000129117 - 2.266853615
372 RY*(9)C16 412 0.000095794 - 1.342940243
373 RY*(10)C16 413 0.000071916 - 1.435733532
374 RY*(11)C16 414 0.000050603 - 2.583881274
375 RY*(12)C16 415 0.000028010 - 2.766974309
376 RY*(13)C16 416 0.000003209 - 18.774273980
377 RY*(14)C16 417 0.000011907 - 2.712365942
378 RY*(15)C16 418 0.000002232 - 1.710310612
379 RY*(16)C16 419 0.000000900 - 2.943318498
380 RY*(17)C16 420 0.000009585 - 2.946098675
381 RY*(18)C16 421 0.000008178 - 1.313819535
382 RY*(19)C16 422 0.000008065 - 2.602216944
383 RY*(20)C16 423 0.000000221 - 2.749047956
384 RY*(21)C16 424 0.000001513 - 0.396511207
385 RY*(22)C16 425 0.000001634 - 3.540538938
386 RY*(1)C17 426 0.006115544 - 1.243862206
387 RY*(2)C17 427 0.002206987 - 1.327013162
388 RY*(3)C17 428 0.000869395 - 1.839528434
389 RY*(4)C17 429 0.000627498 - 0.990393029
390 RY*(5)C17 430 0.000603533 - 1.247284050
391 RY*(6)C17 431 0.000373652 - 2.492436673
392 RY*(7)C17 432 0.000177669 - 2.382038374
393 RY*(8)C17 433 0.000124381 - 1.446195211
394 RY*(9)C17 434 0.000046772 - 2.971049721
395 RY*(10)C17 435 0.000054012 - 2.182476055
396 RY*(11)C17 436 0.000031594 - 2.721337576
397 RY*(12)C17 437 0.000033263 - 1.919970175
398 RY*(13)C17 438 0.000005630 - 1.186031713
399 RY*(14)C17 439 0.000005077 - 1.836199327
400 RY*(15)C17 440 0.000011985 - 2.627175066
401 RY*(16)C17 441 0.000002694 - 19.387359085
402 RY*(17)C17 442 0.000001785 - 1.441177927
403 RY*(18)C17 443 0.000010639 - 3.032382699
404 RY*(19)C17 444 0.000000728 - 0.448793842
405 RY*(20)C17 445 0.000000443 - 2.704577680
406 RY*(21)C17 446 0.000000569 - 3.095014176
407 RY*(22)C17 447 0.000003141 - 3.366288258
408 RY*(1)C18 448 0.005919324 - 1.345224570
409 RY*(2)C18 449 0.002939458 - 1.129548476
410 RY*(3)C18 450 0.000773441 - 1.986679977
411 RY*(4)C18 451 0.000680166 - 0.990333895
412 RY*(5)C18 452 0.000597705 - 1.267881582
413 RY*(6)C18 453 0.000346757 - 2.697212973
414 RY*(7)C18 454 0.000329870 - 1.697980321
415 RY*(8)C18 455 0.000244083 - 1.438906291
416 RY*(9)C18 456 0.000173673 - 1.283228146
417 RY*(10)C18 457 0.000144643 - 1.977398023
418 RY*(11)C18 458 0.000090422 - 1.626380617
419 RY*(12)C18 459 0.000052985 - 1.923802098
420 RY*(13)C18 460 0.000050033 - 4.194798569
421 RY*(14)C18 461 0.000029900 - 3.000844911
422 RY*(15)C18 462 0.000018862 - 0.689664777
423 RY*(16)C18 463 0.000005196 - 2.269709977
424 RY*(17)C18 464 0.000013662 - 2.706470839
425 RY*(18)C18 465 0.000003038 - 2.561364038
426 RY*(19)C18 466 0.000001182 - 2.731306259
427 RY*(20)C18 467 0.000001916 - 18.757663895
428 RY*(21)C18 468 0.000009747 - 3.239236858
429 RY*(22)C18 469 0.000001985 - 3.450845951
430 RY*(1)H19 470 0.001458262 - 1.411909166
431 RY*(2)H19 471 0.000175179 - 2.037113097
432 RY*(3)H19 472 0.000175302 - 1.944758549
433 RY*(4)H19 473 0.000055542 - 2.618839574
434 RY*(5)H19 474 0.000035836 - 2.617381171
435 RY*(1)H20 475 0.000523603 - 1.195612639
436 RY*(2)H20 476 0.000196671 - 1.900273382
437 RY*(3)H20 477 0.000164495 - 2.106966843
438 RY*(4)H20 478 0.000049666 - 2.551080895
439 RY*(5)H20 479 0.000035658 - 2.627063700
440 RY*(1)H21 480 0.000420378 - 1.185390211
441 RY*(2)H21 481 0.000202557 - 1.899264075
442 RY*(3)H21 482 0.000164908 - 2.123897727
443 RY*(4)H21 483 0.000042385 - 2.553548706
444 RY*(5)H21 484 0.000037374 - 2.599640240
445 RY*(1)H22 485 0.000936683 - 1.283958661
446 RY*(2)H22 486 0.000190107 - 1.931158514
447 RY*(3)H22 487 0.000166155 - 1.926223443
448 RY*(4)H22 488 0.000035813 - 2.669367837
449 RY*(5)H22 489 0.000045659 - 2.603636592
450 RY*(1)N23 490 0.015331570 - 1.087664925
451 RY*(2)N23 491 0.009486283 - 1.256566974
452 RY*(3)N23 492 0.007265739 - 1.785931444
453 RY*(4)N23 493 0.003553174 - 1.773773911
454 RY*(5)N23 494 0.003171051 - 2.324832634
455 RY*(6)N23 495 0.001856352 - 0.972175249
456 RY*(7)N23 496 0.000541778 - 1.780131352
457 RY*(8)N23 497 0.000400175 - 1.875224498
458 RY*(9)N23 498 0.000256747 - 1.523616355
459 RY*(10)N23 499 0.000108359 - 2.109773592
460 RY*(11)N23 500 0.000048748 - 1.690369154
461 RY*(12)N23 501 0.000031984 - 1.627734236
462 RY*(13)N23 502 0.000019288 - 2.251486430
463 RY*(14)N23 503 0.000017934 - 3.438604928
464 RY*(15)N23 504 0.000013012 - 3.790852424
465 RY*(16)N23 505 0.000003472 - 4.577819211
466 RY*(17)N23 506 0.000003922 - 3.731639755
467 RY*(18)N23 507 0.000001406 - 4.500488007
468 RY*(19)N23 508 0.000000648 - 33.996862593
469 RY*(20)N23 509 0.000007382 - 4.330049798
470 RY*(21)N23 510 0.000001607 - 3.863742374
471 RY*(22)N23 511 0.000003110 - 4.337939050
472 RY*(1)O24 512 0.003267049 - 0.774405332
473 RY*(2)O24 513 0.001936883 - 0.913393883
474 RY*(3)O24 514 0.000702235 - 1.025818957
475 RY*(4)O24 515 0.000224143 - 1.703676955
476 RY*(5)O24 516 0.000154847 - 1.479854666
477 RY*(6)O24 517 0.000123220 - 1.510583683
478 RY*(7)O24 518 0.000080083 - 1.516092330
479 RY*(8)O24 519 0.000041454 - 3.088676209
480 RY*(9)O24 520 0.000017892 - 1.252600100
481 RY*(10)O24 521 0.000009615 - 1.291595059
482 RY*(11)O24 522 0.000015533 - 2.659919520
483 RY*(12)O24 523 0.000001945 - 4.295456471
484 RY*(13)O24 524 0.000004246 - 4.244177633
485 RY*(14)O24 525 0.000001006 - 6.563846075
486 RY*(15)O24 526 0.000006431 - 1.759770324
487 RY*(16)O24 527 0.000000270 - 6.747568161
488 RY*(17)O24 528 0.000001538 - 4.801616087
489 RY*(18)O24 529 0.000000530 - 6.562179091
490 RY*(19)O24 530 0.000000026 - 49.286279448
491 RY*(20)O24 531 0.000000399 - 6.629881333
492 RY*(21)O24 532 0.000003932 - 1.754432026
493 RY*(22)O24 533 0.000000260 - 6.681220694
494 RY*(1)O25 534 0.003457329 - 0.768283312
495 RY*(2)O25 535 0.001689727 - 0.934317259
496 RY*(3)O25 536 0.000690389 - 0.963718898
497 RY*(4)O25 537 0.000234951 - 1.341777601
498 RY*(5)O25 538 0.000141918 - 1.465404225
499 RY*(6)O25 539 0.000122533 - 1.877118979
500 RY*(7)O25 540 0.000071086 - 2.400358754
501 RY*(8)O25 541 0.000057447 - 2.061932997
502 RY*(9)O25 542 0.000032147 - 1.407933443
503 RY*(10)O25 543 0.000033574 - 2.090035560
504 RY*(11)O25 544 0.000013518 - 2.116621143
505 RY*(12)O25 545 0.000014351 - 1.505912215
506 RY*(13)O25 546 0.000000019 - 49.354187601
507 RY*(14)O25 547 0.000001754 - 6.543538054
508 RY*(15)O25 548 0.000001422 - 4.918238827
509 RY*(16)O25 549 0.000000143 - 6.707683719
510 RY*(17)O25 550 0.000006851 - 4.128386402
511 RY*(18)O25 551 0.000000853 - 6.604280598
512 RY*(19)O25 552 0.000003544 - 4.681851557
513 RY*(20)O25 553 0.000000489 - 6.621663160
514 RY*(21)O25 554 0.000006726 - 1.845499752
515 RY*(22)O25 555 0.000000810 - 6.669312869
516 RY*(1)H26 556 0.003136138 - 0.599603914
517 RY*(2)H26 557 0.000318097 - 2.182210396
518 RY*(3)H26 558 0.000147361 - 2.123118250
519 RY*(4)H26 559 0.000082359 - 2.441971731
520 RY*(5)H26 560 0.000068000 - 2.963981438
521 RY*(1)H27 561 0.000900428 - 1.402151079
522 RY*(2)H27 562 0.000246875 - 1.825811974
523 RY*(3)H27 563 0.000144098 - 1.999258298
524 RY*(4)H27 564 0.000058841 - 2.745921732
525 RY*(5)H27 565 0.000037982 - 2.623817268
526 RY*(1)H28 566 0.000929560 - 1.483665667
527 RY*(2)H28 567 0.000213376 - 1.956836482
528 RY*(3)H28 568 0.000145240 - 1.868967706
529 RY*(4)H28 569 0.000042456 - 2.606070022
530 RY*(5)H28 570 0.000037364 - 2.655755748
531 RY*(1)H29 571 0.000358057 - 0.597322954
532 RY*(2)H29 572 0.000162592 - 2.075851026
533 RY*(3)H29 573 0.000123824 - 1.808206207
534 RY*(4)H29 574 0.000056426 - 2.093103595
535 RY*(5)H29 575 0.000017506 - 2.652772897
536 RY*(1)H30 576 0.001552043 - 0.566926378
537 RY*(2)H30 577 0.000212647 - 2.090412525
538 RY*(3)H30 578 0.000104728 - 1.906466228
539 RY*(4)H30 579 0.000080739 - 2.004844737
540 RY*(5)H30 580 0.000036993 - 2.798600346
541 RY*(1)H31 581 0.001550109 - 0.565016582
542 RY*(2)H31 582 0.000211396 - 2.087181097
543 RY*(3)H31 583 0.000104661 - 1.907468528
544 RY*(4)H31 584 0.000080027 - 2.005648620
545 RY*(5)H31 585 0.000036485 - 2.799032902
546 BD*(1)C1-O2 0.009282924 - 0.274766166
547 BD*(1)C1-H29 0.009075301 - 0.383325001
548 BD*(1)C1-H30 0.018874213 - 0.363666763
549 BD*(1)C1-H31 0.018856341 - 0.363758295
550 BD*(1)O2-C3 0.030420255 - 0.354496476
551 BD*(1)C3-C4 0.023205115 - 0.550868365
552 BD*(1)C3-C8 0.029346624 - 0.553611687
553 BD*(2)C3-C8 0.393530343 - 0.017616016
554 BD*(1)C4-C5 0.012047667 - 0.585373799
555 BD*(2)C4-C5 0.303578154 - 0.028063224
556 BD*(1)C4-H28 0.013317103 - 0.427766084
557 BD*(1)C5-C6 0.033667445 - 0.550695401
558 BD*(1)C5-H27 0.013895823 - 0.434713377
559 BD*(1)C6-C7 0.023920440 - 0.563815446
560 BD*(2)C6-C7 0.379404943 - 0.027240759
561 BD*(1)C6-N11 0.026095281 - 0.439845458
562 BD*(1)C7-C8 0.012658396 - 0.573347423
563 BD*(1)C7-H10 0.013241889 - 0.431017815
564 BD*(1)C8-H9 0.013928290 - 0.428104589
565 BD*(1)N11-C12 0.010416932 - 0.617754628
566 BD*(2)N11-C12 0.146431522 - 0.011725935
567 BD*(1)C12-C13 0.034643239 - 0.437861670
568 BD*(1)C12-H26 0.039772998 - 0.397740469
569 BD*(1)C13-C14 0.028022101 - 0.527680322
570 BD*(2)C13-C14 0.426146258 - -0.002946999
571 BD*(1)C13-C18 0.021988482 - 0.534786394
572 BD*(1)C14-C15 0.020641484 - 0.531912762
573 BD*(1)C14-N23 0.099657514 - 0.254760776
574 BD*(1)C15-C16 0.015221200 - 0.553857812
575 BD*(2)C15-C16 0.299688694 - 0.005782985
576 BD*(1)C15-H22 0.013340918 - 0.413866178
577 BD*(1)C16-C17 0.016556201 - 0.543138588
578 BD*(1)C16-H21 0.013699052 - 0.413144115
579 BD*(1)C17-C18 0.014643355 - 0.562417425
580 BD*(2)C17-C18 0.277211028 - 0.012189939
581 BD*(1)C17-H20 0.014110876 - 0.414142739
582 BD*(1)C18-H19 0.015367889 - 0.430447882
583 BD*(1)N23-O24 0.064985489 - 0.394002012
584 BD*(2)N23-O24 0.608920248 - -0.143979856
585 BD*(1)N23-O25 0.069720215 - 0.389039789

Quote

AND ALL THIS SCIENCE I DON'T UNDERSTAND IT'S JUST MY JOB FIVE DAYS A WEEK -- ELTON JOHN, "ROCKET MAN"