WebMO Job Summary

198957: C14H12O3F(-1) Meisenheimer Complex, Natural Bond Orbitals - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Method B3LYP
Stoichiometry C14H12FO3(1-)
Symmetry C1
Basis 6-311+G(2d,p)
RB3LYP Energy -866.512949286 Hartree
Dipole Moment 12.2096 Debye
Server class (200023)
CPU time 2083.2 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 1.1262605 0.03756800646
b 0.1671500 0.00557552385
c 0.1612685 0.00537933813

Partial Charges

Atom Symbol Charge
1 C -0.182985  
2 C 0.030359  
3 C -0.051311  
4 C 0.651166  
5 C -0.681666  
6 C -0.033479  
7 H 0.048105  
8 H 0.049786  
9 C 0.067218  
10 O -0.538288  
11 H 0.020370  
12 H 0.082921  
13 H 0.068166  
14 F -0.276204  
15 O -0.401939  
16 C 0.078024  
17 C 0.015080  
18 C -0.176377  
19 C 0.379381  
20 C -0.219996  
21 C -0.021556  
22 H 0.078679  
23 H 0.070191  
24 O -0.473143  
25 C -0.141876  
26 H 0.123624  
27 H 0.116939  
28 H 0.125726  
29 H 0.069214  
30 H 0.123870  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -24.49489
2 - 2 - -19.07145
3 - 2 - -19.02989
4 - 2 - -18.94656
5 - 2 - -10.16531
6 - 2 - -10.1509
7 - 2 - -10.13639
8 - 2 - -10.12537
9 - 2 - -10.09286
10 - 2 - -10.08141
11 - 2 - -10.07938
12 - 2 - -10.07483
13 - 2 - -10.06956
14 - 2 - -10.04063
15 - 2 - -10.0367
16 - 2 - -10.02598
17 - 2 - -10.02206
18 - 2 - -10.01356
19 - 2 - -1.0159
20 - 2 - -0.983
21 - 2 - -0.93523
22 - 2 - -0.86931
23 - 2 - -0.75996
24 - 2 - -0.71266
25 - 2 - -0.66892
26 - 2 - -0.65804
27 - 2 - -0.62627
28 - 2 - -0.61474
29 - 2 - -0.59758
30 - 2 - -0.53606
31 - 2 - -0.51827
32 - 2 - -0.49121
33 - 2 - -0.47669
34 - 2 - -0.45094
35 - 2 - -0.43084
36 - 2 - -0.41975
37 - 2 - -0.40458
38 - 2 - -0.39433
39 - 2 - -0.37383
40 - 2 - -0.36169
41 - 2 - -0.35587
42 - 2 - -0.34659
43 - 2 - -0.33277
44 - 2 - -0.32717
45 - 2 - -0.31912
46 - 2 - -0.3015
47 - 2 - -0.2991
48 - 2 - -0.28791
49 - 2 - -0.2848
50 - 2 - -0.28109
51 - 2 - -0.26752
52 - 2 - -0.26023
53 - 2 - -0.24934
54 - 2 - -0.24772
55 - 2 - -0.24249
56 - 2 - -0.23326
57 - 2 - -0.21651
58 - 2 - -0.19779
59 - 2 - -0.18713
60 - 2 - -0.18444
61 - 2 - -0.16369
62 - 2 - -0.12213
63 - 2 - -0.11263
64 - 2 - -0.1031
65 - 2 - -0.05096
66 - 0 - 0.06822
67 - 0 - 0.07863
68 - 0 - 0.09255
69 - 0 - 0.09798
70 - 0 - 0.09907
71 - 0 - 0.11057
72 - 0 - 0.11165
73 - 0 - 0.11354
74 - 0 - 0.11613
75 - 0 - 0.13008
76 - 0 - 0.13451
77 - 0 - 0.13528
78 - 0 - 0.13812
79 - 0 - 0.14415
80 - 0 - 0.1526
81 - 0 - 0.15655
82 - 0 - 0.16014
83 - 0 - 0.16455
84 - 0 - 0.16827
85 - 0 - 0.17844
86 - 0 - 0.1798
87 - 0 - 0.18605
88 - 0 - 0.18959
89 - 0 - 0.19402
90 - 0 - 0.20452
91 - 0 - 0.20764
92 - 0 - 0.20964
93 - 0 - 0.21585
94 - 0 - 0.21674
95 - 0 - 0.22272
96 - 0 - 0.22753
97 - 0 - 0.2297
98 - 0 - 0.23166
99 - 0 - 0.23503
100 - 0 - 0.23968
101 - 0 - 0.24822
102 - 0 - 0.25573
103 - 0 - 0.25667
104 - 0 - 0.2594
105 - 0 - 0.26487
106 - 0 - 0.26607
107 - 0 - 0.26749
108 - 0 - 0.27141
109 - 0 - 0.27303
110 - 0 - 0.27698
111 - 0 - 0.28371
112 - 0 - 0.28437
113 - 0 - 0.29273
114 - 0 - 0.29413
115 - 0 - 0.2963
116 - 0 - 0.29862
117 - 0 - 0.30172
118 - 0 - 0.30542
119 - 0 - 0.30639
120 - 0 - 0.31554
121 - 0 - 0.31742
122 - 0 - 0.3219
123 - 0 - 0.32393
124 - 0 - 0.32635
125 - 0 - 0.33216
126 - 0 - 0.33449
127 - 0 - 0.34252
128 - 0 - 0.34448
129 - 0 - 0.34733
130 - 0 - 0.34895
131 - 0 - 0.3542
132 - 0 - 0.35662
133 - 0 - 0.35783
134 - 0 - 0.36348
135 - 0 - 0.36746
136 - 0 - 0.37382
137 - 0 - 0.37593
138 - 0 - 0.38291
139 - 0 - 0.38767
140 - 0 - 0.39153
141 - 0 - 0.39597
142 - 0 - 0.40397
143 - 0 - 0.40905
144 - 0 - 0.41603
145 - 0 - 0.41988
146 - 0 - 0.42494
147 - 0 - 0.42674
148 - 0 - 0.43317
149 - 0 - 0.43753
150 - 0 - 0.44391
151 - 0 - 0.4513
152 - 0 - 0.45481
153 - 0 - 0.45689
154 - 0 - 0.46391
155 - 0 - 0.47863
156 - 0 - 0.48444
157 - 0 - 0.49257
158 - 0 - 0.49527
159 - 0 - 0.49654
160 - 0 - 0.50375
161 - 0 - 0.51973
162 - 0 - 0.53085
163 - 0 - 0.54277
164 - 0 - 0.55045
165 - 0 - 0.55607
166 - 0 - 0.5641
167 - 0 - 0.57243
168 - 0 - 0.59349
169 - 0 - 0.59603
170 - 0 - 0.59696
171 - 0 - 0.60453
172 - 0 - 0.60947
173 - 0 - 0.61351
174 - 0 - 0.61796
175 - 0 - 0.62046
176 - 0 - 0.63353
177 - 0 - 0.63885
178 - 0 - 0.64033
179 - 0 - 0.64395
180 - 0 - 0.64929
181 - 0 - 0.652
182 - 0 - 0.65957
183 - 0 - 0.66395
184 - 0 - 0.67163
185 - 0 - 0.67723
186 - 0 - 0.68278
187 - 0 - 0.68563
188 - 0 - 0.69323
189 - 0 - 0.69585
190 - 0 - 0.70924
191 - 0 - 0.71066
192 - 0 - 0.71693
193 - 0 - 0.72573
194 - 0 - 0.72863
195 - 0 - 0.73694
196 - 0 - 0.74741
197 - 0 - 0.74904
198 - 0 - 0.75446
199 - 0 - 0.75953
200 - 0 - 0.76632
201 - 0 - 0.7718
202 - 0 - 0.77972
203 - 0 - 0.78382
204 - 0 - 0.79137
205 - 0 - 0.79334
206 - 0 - 0.80057
207 - 0 - 0.80605
208 - 0 - 0.81399
209 - 0 - 0.81466
210 - 0 - 0.82512
211 - 0 - 0.82846
212 - 0 - 0.83071
213 - 0 - 0.83641
214 - 0 - 0.84801
215 - 0 - 0.85032
216 - 0 - 0.86112
217 - 0 - 0.86811
218 - 0 - 0.87712
219 - 0 - 0.88161
220 - 0 - 0.88436
221 - 0 - 0.89379
222 - 0 - 0.90011
223 - 0 - 0.90901
224 - 0 - 0.91451
225 - 0 - 0.92064
226 - 0 - 0.9253
227 - 0 - 0.92802
228 - 0 - 0.93095
229 - 0 - 0.93511
230 - 0 - 0.94938
231 - 0 - 0.95764
232 - 0 - 0.96158
233 - 0 - 0.9657
234 - 0 - 0.97297
235 - 0 - 0.97681
236 - 0 - 0.98034
237 - 0 - 0.98549
238 - 0 - 0.9958
239 - 0 - 1.00666
240 - 0 - 1.01087
241 - 0 - 1.02893
242 - 0 - 1.03711
243 - 0 - 1.04553
244 - 0 - 1.05163
245 - 0 - 1.06415
246 - 0 - 1.07732
247 - 0 - 1.08692
248 - 0 - 1.09853
249 - 0 - 1.11063
250 - 0 - 1.11769
251 - 0 - 1.12429
252 - 0 - 1.13859
253 - 0 - 1.14435
254 - 0 - 1.16636
255 - 0 - 1.17172
256 - 0 - 1.18596
257 - 0 - 1.19253
258 - 0 - 1.20116
259 - 0 - 1.21343
260 - 0 - 1.22418
261 - 0 - 1.2404
262 - 0 - 1.25666
263 - 0 - 1.26044
264 - 0 - 1.26507
265 - 0 - 1.27522
266 - 0 - 1.28245
267 - 0 - 1.28822
268 - 0 - 1.29028
269 - 0 - 1.30677
270 - 0 - 1.31509
271 - 0 - 1.33085
272 - 0 - 1.33109
273 - 0 - 1.34108
274 - 0 - 1.36329
275 - 0 - 1.37541
276 - 0 - 1.38382
277 - 0 - 1.39527
278 - 0 - 1.40824
279 - 0 - 1.41548
280 - 0 - 1.41922
281 - 0 - 1.43172
282 - 0 - 1.43761
283 - 0 - 1.44004
284 - 0 - 1.45176
285 - 0 - 1.46636
286 - 0 - 1.46979
287 - 0 - 1.47759
288 - 0 - 1.48207
289 - 0 - 1.48583
290 - 0 - 1.49455
291 - 0 - 1.50425
292 - 0 - 1.50962
293 - 0 - 1.51431
294 - 0 - 1.529
295 - 0 - 1.54025
296 - 0 - 1.5426
297 - 0 - 1.56757
298 - 0 - 1.57704
299 - 0 - 1.59137
300 - 0 - 1.60926
301 - 0 - 1.62468
302 - 0 - 1.63816
303 - 0 - 1.65036
304 - 0 - 1.6652
305 - 0 - 1.6672
306 - 0 - 1.68472
307 - 0 - 1.69388
308 - 0 - 1.69566
309 - 0 - 1.7034
310 - 0 - 1.7221
311 - 0 - 1.73009
312 - 0 - 1.73498
313 - 0 - 1.74514
314 - 0 - 1.75172
315 - 0 - 1.76377
316 - 0 - 1.78671
317 - 0 - 1.80242
318 - 0 - 1.81093
319 - 0 - 1.82862
320 - 0 - 1.8453
321 - 0 - 1.85733
322 - 0 - 1.8647
323 - 0 - 1.87924
324 - 0 - 1.88459
325 - 0 - 1.90533
326 - 0 - 1.91281
327 - 0 - 1.91804
328 - 0 - 1.92769
329 - 0 - 1.93858
330 - 0 - 1.94641
331 - 0 - 1.96308
332 - 0 - 1.97657
333 - 0 - 2.01323
334 - 0 - 2.02195
335 - 0 - 2.03023
336 - 0 - 2.03987
337 - 0 - 2.05687
338 - 0 - 2.08992
339 - 0 - 2.11108
340 - 0 - 2.12875
341 - 0 - 2.16038
342 - 0 - 2.18344
343 - 0 - 2.19401
344 - 0 - 2.23383
345 - 0 - 2.24733
346 - 0 - 2.25066
347 - 0 - 2.26218
348 - 0 - 2.27615
349 - 0 - 2.31061
350 - 0 - 2.31227
351 - 0 - 2.32873
352 - 0 - 2.34364
353 - 0 - 2.37311
354 - 0 - 2.39031
355 - 0 - 2.39462
356 - 0 - 2.40856
357 - 0 - 2.45162
358 - 0 - 2.46179
359 - 0 - 2.4682
360 - 0 - 2.46924
361 - 0 - 2.48432
362 - 0 - 2.48671
363 - 0 - 2.5255
364 - 0 - 2.53462
365 - 0 - 2.566
366 - 0 - 2.5873
367 - 0 - 2.59643
368 - 0 - 2.62189
369 - 0 - 2.65979
370 - 0 - 2.68815
371 - 0 - 2.70968
372 - 0 - 2.71569
373 - 0 - 2.72489
374 - 0 - 2.72806
375 - 0 - 2.75296
376 - 0 - 2.76031
377 - 0 - 2.77162
378 - 0 - 2.79253
379 - 0 - 2.82695
380 - 0 - 2.84438
381 - 0 - 2.8461
382 - 0 - 2.85203
383 - 0 - 2.86896
384 - 0 - 2.88321
385 - 0 - 2.89426
386 - 0 - 2.89907
387 - 0 - 2.91134
388 - 0 - 2.9186
389 - 0 - 2.92124
390 - 0 - 2.94873
391 - 0 - 2.95872
392 - 0 - 2.96798
393 - 0 - 2.98571
394 - 0 - 3.00733
395 - 0 - 3.0161
396 - 0 - 3.03505
397 - 0 - 3.06469
398 - 0 - 3.07217
399 - 0 - 3.08694
400 - 0 - 3.12195
401 - 0 - 3.13592
402 - 0 - 3.13762
403 - 0 - 3.16617
404 - 0 - 3.19454
405 - 0 - 3.21071
406 - 0 - 3.22324
407 - 0 - 3.22569
408 - 0 - 3.23414
409 - 0 - 3.23928
410 - 0 - 3.25342
411 - 0 - 3.27051
412 - 0 - 3.29526
413 - 0 - 3.30484
414 - 0 - 3.31754
415 - 0 - 3.32758
416 - 0 - 3.34434
417 - 0 - 3.3647
418 - 0 - 3.37416
419 - 0 - 3.38473
420 - 0 - 3.39928
421 - 0 - 3.41248
422 - 0 - 3.42009
423 - 0 - 3.43864
424 - 0 - 3.44742
425 - 0 - 3.44949
426 - 0 - 3.46142
427 - 0 - 3.47206
428 - 0 - 3.48148
429 - 0 - 3.4881
430 - 0 - 3.49677
431 - 0 - 3.51047
432 - 0 - 3.51818
433 - 0 - 3.53217
434 - 0 - 3.53862
435 - 0 - 3.55538
436 - 0 - 3.5643
437 - 0 - 3.57729
438 - 0 - 3.6023
439 - 0 - 3.60755
440 - 0 - 3.61525
441 - 0 - 3.62997
442 - 0 - 3.64229
443 - 0 - 3.65284
444 - 0 - 3.66374
445 - 0 - 3.66576
446 - 0 - 3.68341
447 - 0 - 3.69138
448 - 0 - 3.69717
449 - 0 - 3.71224
450 - 0 - 3.71665
451 - 0 - 3.72658
452 - 0 - 3.73079
453 - 0 - 3.74787
454 - 0 - 3.75889
455 - 0 - 3.76451
456 - 0 - 3.77456
457 - 0 - 3.78063
458 - 0 - 3.79556
459 - 0 - 3.82231
460 - 0 - 3.82851
461 - 0 - 3.83034
462 - 0 - 3.84646
463 - 0 - 3.84911
464 - 0 - 3.86526
465 - 0 - 3.87769
466 - 0 - 3.89079
467 - 0 - 3.90414
468 - 0 - 3.91568
469 - 0 - 3.94325
470 - 0 - 3.94699
471 - 0 - 3.96385
472 - 0 - 3.97211
473 - 0 - 3.98819
474 - 0 - 4.00303
475 - 0 - 4.02009
476 - 0 - 4.02856
477 - 0 - 4.02947
478 - 0 - 4.06296
479 - 0 - 4.06595
480 - 0 - 4.07686
481 - 0 - 4.09773
482 - 0 - 4.11412
483 - 0 - 4.11889
484 - 0 - 4.16696
485 - 0 - 4.18608
486 - 0 - 4.1918
487 - 0 - 4.23652
488 - 0 - 4.23875
489 - 0 - 4.24451
490 - 0 - 4.28306
491 - 0 - 4.29292
492 - 0 - 4.30401
493 - 0 - 4.32448
494 - 0 - 4.33272
495 - 0 - 4.51285
496 - 0 - 4.56167
497 - 0 - 4.65132
498 - 0 - 4.67249
499 - 0 - 4.70758
500 - 0 - 4.8403
501 - 0 - 4.86944
502 - 0 - 4.92071
503 - 0 - 4.92895
504 - 0 - 5.08341
505 - 0 - 5.12186
506 - 0 - 5.20879
507 - 0 - 5.31587
508 - 0 - 5.3405
509 - 0 - 5.37178
510 - 0 - 5.39909
511 - 0 - 5.55885
512 - 0 - 5.64112
513 - 0 - 5.9645
514 - 0 - 6.11157
515 - 0 - 6.17807
516 - 0 - 6.64874
517 - 0 - 6.71052
518 - 0 - 6.7666
519 - 0 - 6.96317
520 - 0 - 7.02712
521 - 0 - 7.0674
522 - 0 - 7.11934
523 - 0 - 7.15874
524 - 0 - 7.16564
525 - 0 - 7.18444
526 - 0 - 7.24174
527 - 0 - 7.27474
528 - 0 - 7.38884
529 - 0 - 7.40382
530 - 0 - 7.52583
531 - 0 - 7.60031
532 - 0 - 7.61567
533 - 0 - 7.69579
534 - 0 - 9.31048
535 - 0 - 9.3411
536 - 0 - 9.51684
537 - 0 - 9.57245
538 - 0 - 9.79723
539 - 0 - 23.81652
540 - 0 - 23.89948
541 - 0 - 24.01653
542 - 0 - 24.07632
543 - 0 - 24.12059
544 - 0 - 24.12831
545 - 0 - 24.14616
546 - 0 - 24.17546
547 - 0 - 24.22686
548 - 0 - 24.24562
549 - 0 - 24.2545
550 - 0 - 24.26614
551 - 0 - 24.28731
552 - 0 - 24.40714
553 - 0 - 50.13177
554 - 0 - 50.16298
555 - 0 - 50.22192
556 - 0 - 67.07963
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C 0.56841  
2 C -0.32665  
3 C -0.14234  
4 C -0.29900  
5 C -0.15275  
6 C -0.31992  
7 H 0.19581  
8 H 0.18481  
9 C 0.37331  
10 O -0.67986  
11 H 0.07206  
12 H 0.20230  
13 H 0.19553  
14 F -0.49133  
15 O -0.57788  
16 C 0.31519  
17 C -0.25083  
18 C -0.28109  
19 C 0.27946  
20 C -0.24198  
21 C -0.21959  
22 H 0.21074  
23 H 0.20551  
24 O -0.56445  
25 C -0.19702  
26 H 0.16171  
27 H 0.17659  
28 H 0.16331  
29 H 0.20072  
30 H 0.23921  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.998648253 - -10.046645235
2 C1 Val(2S) 0.866581756 - -0.066110533
3 C1 Ryd(4S) 0.001645130 - 1.336075849
4 C1 Ryd(3S) 0.000194629 - 1.251602762
5 C1 Ryd(5S) 0.000013068 - 22.785302014
6 C1 Val(2p) 0.819947786 - 0.052078401
7 C1 Ryd(3p) 0.007273692 - 1.253638289
8 C1 Ryd(4p) 0.000286567 - 1.286631684
9 C1 Ryd(5p) 0.000095959 - 3.030049054
10 C1 Val(2p) 1.031864399 - 0.038113999
11 C1 Ryd(3p) 0.007466809 - 1.184645724
12 C1 Ryd(4p) 0.000530111 - 1.190830741
13 C1 Ryd(5p) 0.000101167 - 2.911706459
14 C1 Val(2p) 0.678621178 - 0.039705803
15 C1 Ryd(3p) 0.006996887 - 0.983111536
16 C1 Ryd(4p) 0.000735004 - 1.134700300
17 C1 Ryd(5p) 0.000075244 - 2.734716088
18 C1 Ryd(3d) 0.001099599 - 2.265904082
19 C1 Ryd(4d) 0.000432555 - 3.504008067
20 C1 Ryd(3d) 0.002542122 - 2.119550367
21 C1 Ryd(4d) 0.000220176 - 3.348751645
22 C1 Ryd(3d) 0.001196898 - 1.995084694
23 C1 Ryd(4d) 0.000296665 - 3.218035360
24 C1 Ryd(3d) 0.001239018 - 2.260482543
25 C1 Ryd(4d) 0.000436935 - 3.468772538
26 C1 Ryd(3d) 0.002679754 - 2.229167162
27 C1 Ryd(4d) 0.000369183 - 3.427756122
28 C2 Cor(1S) 1.998977785 - -9.880428571
29 C2 Val(2S) 0.940816879 - -0.028053102
30 C2 Ryd(3S) 0.001673547 - 1.299067566
31 C2 Ryd(4S) 0.000110867 - 2.231296844
32 C2 Ryd(5S) 0.000015310 - 20.752238412
33 C2 Val(2p) 1.144684166 - 0.078028069
34 C2 Ryd(4p) 0.003256522 - 1.241922231
35 C2 Ryd(3p) 0.000270955 - 0.826757811
36 C2 Ryd(5p) 0.000125950 - 3.630098327
37 C2 Val(2p) 1.079095644 - 0.077285203
38 C2 Ryd(4p) 0.004952686 - 1.031727271
39 C2 Ryd(3p) 0.000250108 - 0.821748764
40 C2 Ryd(5p) 0.000120219 - 3.451853813
41 C2 Val(2p) 1.142685528 - 0.027832920
42 C2 Ryd(4p) 0.003749955 - 0.710872747
43 C2 Ryd(3p) 0.000384243 - 0.630076716
44 C2 Ryd(5p) 0.000037575 - 3.009417318
45 C2 Ryd(3d) 0.000603750 - 2.225265883
46 C2 Ryd(4d) 0.000656822 - 3.870127140
47 C2 Ryd(3d) 0.000469394 - 1.484515771
48 C2 Ryd(4d) 0.000124708 - 3.387529980
49 C2 Ryd(3d) 0.000467863 - 1.516496422
50 C2 Ryd(4d) 0.000114815 - 3.423678627
51 C2 Ryd(3d) 0.001139078 - 2.028965124
52 C2 Ryd(4d) 0.000266090 - 3.815894302
53 C2 Ryd(3d) 0.001528723 - 1.789077456
54 C2 Ryd(4d) 0.000072753 - 3.547425045
55 C3 Cor(1S) 1.999062731 - -9.885364450
56 C3 Val(2S) 0.933951580 - -0.009632065
57 C3 Ryd(4S) 0.001845321 - 1.353971260
58 C3 Ryd(3S) 0.000103335 - 0.912916063
59 C3 Ryd(5S) 0.000013536 - 21.629277869
60 C3 Val(2p) 1.062024206 - 0.099223185
61 C3 Ryd(4p) 0.004686668 - 1.081103756
62 C3 Ryd(3p) 0.000209919 - 0.824504214
63 C3 Ryd(5p) 0.000179383 - 3.562772403
64 C3 Val(2p) 1.168068271 - 0.092625265
65 C3 Ryd(4p) 0.006369117 - 1.363821884
66 C3 Ryd(3p) 0.000364407 - 0.618753771
67 C3 Ryd(5p) 0.000093978 - 3.450311845
68 C3 Val(2p) 0.958335791 - 0.040367100
69 C3 Ryd(4p) 0.000928354 - 0.718656784
70 C3 Ryd(3p) 0.000689966 - 0.468875980
71 C3 Ryd(5p) 0.000029172 - 2.960890779
72 C3 Ryd(3d) 0.000862889 - 2.220340802
73 C3 Ryd(4d) 0.000405645 - 3.672303425
74 C3 Ryd(3d) 0.000599871 - 1.758303866
75 C3 Ryd(4d) 0.000194900 - 3.264731419
76 C3 Ryd(3d) 0.000354641 - 1.564306848
77 C3 Ryd(4d) 0.000087414 - 3.098405596
78 C3 Ryd(3d) 0.000852700 - 2.410208066
79 C3 Ryd(4d) 0.000697039 - 3.818560650
80 C3 Ryd(3d) 0.001255651 - 2.029977209
81 C3 Ryd(4d) 0.000076748 - 3.459436977
82 C4 Cor(1S) 1.998958776 - -9.869580384
83 C4 Val(2S) 0.894086484 - 0.020395070
84 C4 Ryd(4S) 0.001293471 - 1.109906151
85 C4 Ryd(3S) 0.000086779 - 0.892857917
86 C4 Ryd(5S) 0.000014749 - 22.145001706
87 C4 Val(2p) 1.104686680 - 0.080552044
88 C4 Ryd(4p) 0.004813531 - 1.620490482
89 C4 Ryd(3p) 0.000350353 - 1.068451092
90 C4 Ryd(5p) 0.000101793 - 3.310618545
91 C4 Val(2p) 1.088063766 - 0.089617909
92 C4 Ryd(4p) 0.005427044 - 1.369237625
93 C4 Ryd(3p) 0.000327053 - 1.012522221
94 C4 Ryd(5p) 0.000100328 - 3.330059208
95 C4 Val(2p) 1.190761989 - 0.043998780
96 C4 Ryd(4p) 0.003954551 - 0.720800573
97 C4 Ryd(3p) 0.000582528 - 0.685332404
98 C4 Ryd(5p) 0.000017160 - 2.837465407
99 C4 Ryd(3d) 0.000627277 - 2.231255702
100 C4 Ryd(4d) 0.000712813 - 3.883379388
101 C4 Ryd(3d) 0.000749212 - 1.343445192
102 C4 Ryd(4d) 0.000218578 - 3.528953693
103 C4 Ryd(3d) 0.000142350 - 1.308436253
104 C4 Ryd(4d) 0.000225804 - 3.496476204
105 C4 Ryd(3d) 0.000895958 - 2.169707838
106 C4 Ryd(4d) 0.000694152 - 3.870088379
107 C4 Ryd(3d) 0.001045484 - 1.731682783
108 C4 Ryd(4d) 0.000062476 - 3.630613834
109 C5 Cor(1S) 1.999076270 - -9.889318687
110 C5 Val(2S) 0.932330272 - -0.013478429
111 C5 Ryd(3S) 0.001020134 - 1.470923878
112 C5 Ryd(4S) 0.000111507 - 2.235179551
113 C5 Ryd(5S) 0.000019614 - 20.165804361
114 C5 Val(2p) 1.127218534 - 0.084477447
115 C5 Ryd(4p) 0.005797035 - 1.163466760
116 C5 Ryd(3p) 0.000353224 - 0.586705507
117 C5 Ryd(5p) 0.000108323 - 3.688914524
118 C5 Val(2p) 1.089670864 - 0.098477651
119 C5 Ryd(4p) 0.004793855 - 1.034682155
120 C5 Ryd(3p) 0.000470422 - 0.777909834
121 C5 Ryd(5p) 0.000140947 - 3.555599993
122 C5 Val(2p) 0.984386880 - 0.033963463
123 C5 Ryd(4p) 0.001248250 - 0.650353113
124 C5 Ryd(3p) 0.000679388 - 0.485596655
125 C5 Ryd(5p) 0.000024790 - 2.986002828
126 C5 Ryd(3d) 0.000684052 - 2.437436738
127 C5 Ryd(4d) 0.000786140 - 3.804859083
128 C5 Ryd(3d) 0.000752672 - 1.653552604
129 C5 Ryd(4d) 0.000084722 - 3.175989136
130 C5 Ryd(3d) 0.000360353 - 1.642692333
131 C5 Ryd(4d) 0.000136509 - 3.172310403
132 C5 Ryd(3d) 0.000775021 - 2.194371408
133 C5 Ryd(4d) 0.000432011 - 3.638742540
134 C5 Ryd(3d) 0.001186368 - 1.999383711
135 C5 Ryd(4d) 0.000097766 - 3.398271113
136 C6 Cor(1S) 1.998988442 - -9.876002446
137 C6 Val(2S) 0.935633441 - -0.022151440
138 C6 Ryd(4S) 0.001830306 - 1.263493469
139 C6 Ryd(3S) 0.000092908 - 1.178259801
140 C6 Ryd(5S) 0.000016426 - 21.701307655
141 C6 Val(2p) 1.058804963 - 0.079224369
142 C6 Ryd(4p) 0.005169812 - 0.959824563
143 C6 Ryd(3p) 0.000265970 - 0.850613743
144 C6 Ryd(5p) 0.000184204 - 3.472943782
145 C6 Val(2p) 1.152689963 - 0.081590562
146 C6 Ryd(4p) 0.005676343 - 1.224564498
147 C6 Ryd(3p) 0.000312608 - 0.630252931
148 C6 Ryd(5p) 0.000066085 - 3.440792649
149 C6 Val(2p) 1.148858082 - 0.032072272
150 C6 Ryd(4p) 0.005346076 - 0.684342612
151 C6 Ryd(3p) 0.000349499 - 0.617244246
152 C6 Ryd(5p) 0.000064466 - 2.991206167
153 C6 Ryd(3d) 0.000917928 - 1.928058822
154 C6 Ryd(4d) 0.000381258 - 3.839848706
155 C6 Ryd(3d) 0.000479346 - 1.530558693
156 C6 Ryd(4d) 0.000213945 - 3.567555260
157 C6 Ryd(3d) 0.000577279 - 1.287161634
158 C6 Ryd(4d) 0.000074693 - 3.436088650
159 C6 Ryd(3d) 0.000586790 - 2.104045134
160 C6 Ryd(4d) 0.000664001 - 3.903415428
161 C6 Ryd(3d) 0.001591852 - 1.709046043
162 C6 Ryd(4d) 0.000079409 - 3.639244735
163 H7 Val(1S) 0.802194338 - 0.179720674
164 H7 Ryd(2S) 0.001051517 - 1.565423643
165 H7 Ryd(3S) 0.000191631 - 1.819176774
166 H7 Ryd(2p) 0.000059925 - 2.703855735
167 H7 Ryd(2p) 0.000403703 - 3.060721083
168 H7 Ryd(2p) 0.000286841 - 2.140097729
169 H8 Val(1S) 0.812681845 - 0.169053818
170 H8 Ryd(2S) 0.001599871 - 1.483941135
171 H8 Ryd(3S) 0.000169200 - 1.805614249
172 H8 Ryd(2p) 0.000279334 - 2.884962897
173 H8 Ryd(2p) 0.000235209 - 2.860001750
174 H8 Ryd(2p) 0.000221949 - 2.094473331
175 C9 Cor(1S) 1.999237636 - -9.964909310
176 C9 Val(2S) 0.887131360 - -0.015848466
177 C9 Ryd(4S) 0.008590873 - 1.030881329
178 C9 Ryd(3S) 0.000112924 - 0.793218021
179 C9 Ryd(5S) 0.000040243 - 22.246178448
180 C9 Val(2p) 1.034542224 - 0.103257327
181 C9 Ryd(4p) 0.003800415 - 1.219894460
182 C9 Ryd(3p) 0.000470656 - 0.851319548
183 C9 Ryd(5p) 0.000178769 - 2.360984453
184 C9 Val(2p) 0.860130692 - 0.125588450
185 C9 Ryd(4p) 0.013729253 - 1.394627840
186 C9 Ryd(3p) 0.000683871 - 1.023127795
187 C9 Ryd(5p) 0.000184767 - 2.667698421
188 C9 Val(2p) 0.809529593 - 0.038108118
189 C9 Ryd(4p) 0.002269242 - 0.826227494
190 C9 Ryd(3p) 0.000888490 - 0.690290508
191 C9 Ryd(5p) 0.000052557 - 2.398818725
192 C9 Ryd(4d) 0.001594801 - 3.603979844
193 C9 Ryd(3d) 0.000085610 - 3.152939436
194 C9 Ryd(4d) 0.000513963 - 2.875925625
195 C9 Ryd(3d) 0.000096133 - 2.337220676
196 C9 Ryd(4d) 0.000991746 - 3.070284572
197 C9 Ryd(3d) 0.000109498 - 2.342820403
198 C9 Ryd(4d) 0.001183806 - 3.555738743
199 C9 Ryd(3d) 0.000056550 - 3.045532351
200 C9 Ryd(4d) 0.000348318 - 3.106688800
201 C9 Ryd(3d) 0.000132602 - 2.783132562
202 O10 Cor(1S) 1.999776899 - -18.699514113
203 O10 Val(2S) 1.705274360 - -0.723670280
204 O10 Ryd(3S) 0.002686194 - 1.066312552
205 O10 Ryd(4S) 0.000236902 - 1.822636458
206 O10 Ryd(5S) 0.000000289 - 49.695392972
207 O10 Val(2p) 1.842279063 - -0.107611679
208 O10 Ryd(3p) 0.004258689 - 0.887735599
209 O10 Ryd(4p) 0.000038097 - 1.215402322
210 O10 Ryd(5p) 0.000016199 - 5.179667220
211 O10 Val(2p) 1.592431290 - -0.136024088
212 O10 Ryd(3p) 0.000955896 - 0.840552258
213 O10 Ryd(4p) 0.000182620 - 1.120551941
214 O10 Ryd(5p) 0.000092561 - 5.634051131
215 O10 Val(2p) 1.513288117 - -0.095898204
216 O10 Ryd(3p) 0.002099795 - 0.629250708
217 O10 Ryd(4p) 0.000026684 - 1.168994681
218 O10 Ryd(5p) 0.000009651 - 5.046142284
219 O10 Ryd(3d) 0.004434299 - 2.033096617
220 O10 Ryd(4d) 0.000055484 - 7.142849858
221 O10 Ryd(3d) 0.000318669 - 1.669258101
222 O10 Ryd(4d) 0.000002681 - 6.910518862
223 O10 Ryd(3d) 0.004387279 - 1.752931985
224 O10 Ryd(4d) 0.000061231 - 7.015954482
225 O10 Ryd(3d) 0.005091771 - 2.071832725
226 O10 Ryd(4d) 0.000044258 - 7.139332295
227 O10 Ryd(3d) 0.001802890 - 1.869025436
228 O10 Ryd(4d) 0.000007050 - 7.020811571
229 H11 Val(1S) 0.923196471 - 0.112150363
230 H11 Ryd(2S) 0.003707623 - 0.602739952
231 H11 Ryd(3S) 0.000126956 - 2.345407506
232 H11 Ryd(2p) 0.000464267 - 2.560113965
233 H11 Ryd(2p) 0.000296855 - 2.634361960
234 H11 Ryd(2p) 0.000143052 - 1.872598955
235 H12 Val(1S) 0.793475742 - 0.192416961
236 H12 Ryd(2S) 0.003422332 - 0.575740351
237 H12 Ryd(3S) 0.000219529 - 2.443095577
238 H12 Ryd(2p) 0.000084676 - 2.742465786
239 H12 Ryd(2p) 0.000303301 - 3.085602880
240 H12 Ryd(2p) 0.000199416 - 2.103826005
241 H13 Val(1S) 0.802557118 - 0.179396758
242 H13 Ryd(2S) 0.000993310 - 1.441084363
243 H13 Ryd(3S) 0.000187944 - 1.955869250
244 H13 Ryd(2p) 0.000222426 - 2.922986369
245 H13 Ryd(2p) 0.000210360 - 2.894704991
246 H13 Ryd(2p) 0.000295432 - 2.132295948
247 F14 Cor(1S) 1.999956128 - -24.243896466
248 F14 Val(2S) 1.889356453 - -1.115978893
249 F14 Ryd(3S) 0.000668675 - 1.465395840
250 F14 Ryd(4S) 0.000182585 - 2.424142874
251 F14 Ryd(5S) 0.000000272 - 66.765620467
252 F14 Val(2p) 1.944744695 - -0.234634611
253 F14 Ryd(3p) 0.000898715 - 0.690915311
254 F14 Ryd(4p) 0.000067558 - 1.804865253
255 F14 Ryd(5p) 0.000003258 - 6.607188112
256 F14 Val(2p) 1.961072114 - -0.234596660
257 F14 Ryd(3p) 0.001546326 - 0.603279206
258 F14 Ryd(4p) 0.000065637 - 1.770075603
259 F14 Ryd(5p) 0.000002724 - 6.561783916
260 F14 Val(2p) 1.688579396 - -0.235273778
261 F14 Ryd(3p) 0.001733688 - 0.497787564
262 F14 Ryd(4p) 0.000119207 - 1.934122729
263 F14 Ryd(5p) 0.000013984 - 6.434712173
264 F14 Ryd(3d) 0.000083133 - 2.405589978
265 F14 Ryd(4d) 0.000001222 - 9.304904465
266 F14 Ryd(3d) 0.000582536 - 2.756445218
267 F14 Ryd(4d) 0.000003856 - 9.510336655
268 F14 Ryd(3d) 0.000552503 - 2.701685926
269 F14 Ryd(4d) 0.000003775 - 9.475359280
270 F14 Ryd(3d) 0.000065260 - 2.425952089
271 F14 Ryd(4d) 0.000001058 - 9.315170922
272 F14 Ryd(3d) 0.001015881 - 2.913341749
273 F14 Ryd(4d) 0.000011093 - 9.610418941
274 O15 Cor(1S) 1.999674640 - -18.818705449
275 O15 Val(2S) 1.593830528 - -0.741644738
276 O15 Ryd(4S) 0.002122128 - 1.807009774
277 O15 Ryd(3S) 0.000091901 - 1.463639066
278 O15 Ryd(5S) 0.000000921 - 49.435526896
279 O15 Val(2p) 1.404855492 - -0.189524253
280 O15 Ryd(3p) 0.002351648 - 1.096119670
281 O15 Ryd(4p) 0.000721410 - 1.720306210
282 O15 Ryd(5p) 0.000042284 - 4.734662915
283 O15 Val(2p) 1.761742735 - -0.200568086
284 O15 Ryd(3p) 0.004924621 - 0.623970646
285 O15 Ryd(4p) 0.000684997 - 1.181750690
286 O15 Ryd(5p) 0.000032739 - 5.136583713
287 O15 Val(2p) 1.789948158 - -0.193940428
288 O15 Ryd(3p) 0.005828192 - 0.785770623
289 O15 Ryd(4p) 0.000884013 - 1.260590281
290 O15 Ryd(5p) 0.000033746 - 5.118503908
291 O15 Ryd(3d) 0.002304891 - 2.265098805
292 O15 Ryd(4d) 0.000049323 - 7.217747302
293 O15 Ryd(3d) 0.001542624 - 2.181039613
294 O15 Ryd(4d) 0.000070180 - 7.187226006
295 O15 Ryd(3d) 0.002341469 - 1.973760886
296 O15 Ryd(4d) 0.000027431 - 7.067561998
297 O15 Ryd(3d) 0.001924737 - 2.124170380
298 O15 Ryd(4d) 0.000057883 - 7.172841771
299 O15 Ryd(3d) 0.001769110 - 2.049847924
300 O15 Ryd(4d) 0.000021392 - 7.098856583
301 C16 Cor(1S) 1.998752515 - -9.991342806
302 C16 Val(2S) 0.818608647 - -0.016841238
303 C16 Ryd(4S) 0.000972379 - 1.483728648
304 C16 Ryd(3S) 0.000106129 - 1.207939753
305 C16 Ryd(5S) 0.000017087 - 20.685016049
306 C16 Val(2p) 0.808960304 - 0.075823755
307 C16 Ryd(4p) 0.007530588 - 1.329358103
308 C16 Ryd(3p) 0.000135509 - 0.817623045
309 C16 Ryd(5p) 0.000083512 - 3.499068725
310 C16 Val(2p) 0.969356735 - 0.015554030
311 C16 Ryd(4p) 0.004023638 - 0.925711918
312 C16 Ryd(3p) 0.000267916 - 0.625000122
313 C16 Ryd(5p) 0.000063632 - 3.052887911
314 C16 Val(2p) 1.064827351 - 0.040052456
315 C16 Ryd(4p) 0.003760867 - 1.339028527
316 C16 Ryd(3p) 0.000270495 - 0.759267328
317 C16 Ryd(5p) 0.000172261 - 3.174112513
318 C16 Ryd(3d) 0.000904671 - 2.277403634
319 C16 Ryd(4d) 0.000403762 - 3.209385943
320 C16 Ryd(3d) 0.001297343 - 2.631879354
321 C16 Ryd(4d) 0.000370684 - 3.612794516
322 C16 Ryd(3d) 0.000659640 - 2.419277450
323 C16 Ryd(4d) 0.000464329 - 3.130963037
324 C16 Ryd(3d) 0.001301101 - 2.241217723
325 C16 Ryd(4d) 0.000333838 - 3.153660892
326 C16 Ryd(3d) 0.000703516 - 2.486431853
327 C16 Ryd(4d) 0.000463404 - 3.272122575
328 C17 Cor(1S) 1.999049356 - -9.922215152
329 C17 Val(2S) 0.951615341 - -0.059970725
330 C17 Ryd(3S) 0.001629120 - 1.496809961
331 C17 Ryd(4S) 0.000107242 - 1.678566689
332 C17 Ryd(5S) 0.000016336 - 20.955751509
333 C17 Val(2p) 1.091654797 - 0.044175116
334 C17 Ryd(4p) 0.003335613 - 1.289108389
335 C17 Ryd(3p) 0.000310790 - 0.770543862
336 C17 Ryd(5p) 0.000121486 - 3.482643833
337 C17 Val(2p) 1.040478883 - 0.008373035
338 C17 Ryd(4p) 0.002188194 - 0.777669126
339 C17 Ryd(3p) 0.000344650 - 0.666541912
340 C17 Ryd(5p) 0.000081260 - 3.097017548
341 C17 Val(2p) 1.148356102 - 0.039652171
342 C17 Ryd(4p) 0.005153196 - 1.168312938
343 C17 Ryd(3p) 0.000539316 - 0.615709905
344 C17 Ryd(5p) 0.000080106 - 3.523914988
345 C17 Ryd(3d) 0.000779633 - 1.905898995
346 C17 Ryd(4d) 0.000244656 - 3.524067420
347 C17 Ryd(3d) 0.000836615 - 1.946948161
348 C17 Ryd(4d) 0.000528249 - 3.733782379
349 C17 Ryd(3d) 0.001156958 - 1.751504224
350 C17 Ryd(4d) 0.000110535 - 3.461690029
351 C17 Ryd(3d) 0.000800695 - 1.855240440
352 C17 Ryd(4d) 0.000173335 - 3.565531359
353 C17 Ryd(3d) 0.000860896 - 1.834961321
354 C17 Ryd(4d) 0.000274615 - 3.595617426
355 C18 Cor(1S) 1.999046207 - -9.934389004
356 C18 Val(2S) 0.941377342 - -0.068517093
357 C18 Ryd(3S) 0.001044609 - 1.565552192
358 C18 Ryd(4S) 0.000106687 - 2.220276342
359 C18 Ryd(5S) 0.000018238 - 20.024098062
360 C18 Val(2p) 1.091678580 - 0.029858354
361 C18 Ryd(4p) 0.002760105 - 1.121054238
362 C18 Ryd(3p) 0.000449138 - 0.828801034
363 C18 Ryd(5p) 0.000137894 - 3.416951109
364 C18 Val(2p) 1.100989011 - -0.007874131
365 C18 Ryd(4p) 0.002318985 - 0.800116724
366 C18 Ryd(3p) 0.000605974 - 0.524076630
367 C18 Ryd(5p) 0.000038538 - 3.056736463
368 C18 Val(2p) 1.130595859 - 0.027141958
369 C18 Ryd(4p) 0.003970780 - 1.170483999
370 C18 Ryd(3p) 0.000479458 - 0.663102445
371 C18 Ryd(5p) 0.000097527 - 3.422146055
372 C18 Ryd(3d) 0.000781936 - 1.781350207
373 C18 Ryd(4d) 0.000121699 - 3.433596416
374 C18 Ryd(3d) 0.000951559 - 2.272935181
375 C18 Ryd(4d) 0.000544126 - 3.662090300
376 C18 Ryd(3d) 0.000790573 - 1.625651293
377 C18 Ryd(4d) 0.000242389 - 3.405663832
378 C18 Ryd(3d) 0.000814126 - 2.024808482
379 C18 Ryd(4d) 0.000201143 - 3.480210592
380 C18 Ryd(3d) 0.000687759 - 1.900471812
381 C18 Ryd(4d) 0.000238674 - 3.520342057
382 C19 Cor(1S) 1.998717560 - -10.002030436
383 C19 Val(2S) 0.823459379 - -0.034313499
384 C19 Ryd(3S) 0.000725253 - 1.354981041
385 C19 Ryd(4S) 0.000071812 - 4.189517515
386 C19 Ryd(5S) 0.000018452 - 17.697171549
387 C19 Val(2p) 0.779112211 - 0.055789141
388 C19 Ryd(4p) 0.007247729 - 1.230056390
389 C19 Ryd(3p) 0.000159220 - 0.955070753
390 C19 Ryd(5p) 0.000092823 - 3.310824170
391 C19 Val(2p) 1.011524615 - -0.008243717
392 C19 Ryd(4p) 0.001886425 - 0.868529477
393 C19 Ryd(3p) 0.000247957 - 0.607660475
394 C19 Ryd(5p) 0.000087244 - 2.912922779
395 C19 Val(2p) 1.085913192 - 0.022298144
396 C19 Ryd(4p) 0.004667702 - 1.273213096
397 C19 Ryd(3p) 0.000217814 - 0.636523829
398 C19 Ryd(5p) 0.000171079 - 3.081857250
399 C19 Ryd(3d) 0.001044103 - 2.383100646
400 C19 Ryd(4d) 0.000266042 - 2.839393853
401 C19 Ryd(3d) 0.000713824 - 2.732146376
402 C19 Ryd(4d) 0.000510998 - 3.448080922
403 C19 Ryd(3d) 0.000737715 - 2.560335630
404 C19 Ryd(4d) 0.000409985 - 2.873068111
405 C19 Ryd(3d) 0.000925788 - 2.399526838
406 C19 Ryd(4d) 0.000368821 - 2.930512256
407 C19 Ryd(3d) 0.000706159 - 2.642106634
408 C19 Ryd(4d) 0.000539136 - 3.072990350
409 C20 Cor(1S) 1.999051743 - -9.931451174
410 C20 Val(2S) 0.942655517 - -0.067092725
411 C20 Ryd(3S) 0.001192261 - 1.557620898
412 C20 Ryd(4S) 0.000083656 - 2.502967103
413 C20 Ryd(5S) 0.000011309 - 19.789939709
414 C20 Val(2p) 1.103218291 - 0.033285505
415 C20 Ryd(4p) 0.004824175 - 1.171160297
416 C20 Ryd(3p) 0.000344411 - 0.760338244
417 C20 Ryd(5p) 0.000120682 - 3.302452612
418 C20 Val(2p) 1.052856561 - -0.002653304
419 C20 Ryd(4p) 0.002186337 - 0.741657142
420 C20 Ryd(3p) 0.000474658 - 0.601703776
421 C20 Ryd(5p) 0.000045279 - 2.912113230
422 C20 Val(2p) 1.124644478 - 0.027385157
423 C20 Ryd(4p) 0.004494722 - 1.179997624
424 C20 Ryd(3p) 0.000301348 - 0.713716756
425 C20 Ryd(5p) 0.000093931 - 3.243094534
426 C20 Ryd(3d) 0.000795802 - 1.876539481
427 C20 Ryd(4d) 0.000240454 - 3.433799752
428 C20 Ryd(3d) 0.000732202 - 1.954499814
429 C20 Ryd(4d) 0.000635240 - 3.669511817
430 C20 Ryd(3d) 0.001008069 - 1.779301208
431 C20 Ryd(4d) 0.000100791 - 3.421856453
432 C20 Ryd(3d) 0.000784937 - 1.824378626
433 C20 Ryd(4d) 0.000166868 - 3.484885876
434 C20 Ryd(3d) 0.000648561 - 1.787011326
435 C20 Ryd(4d) 0.000264867 - 3.527623516
436 C21 Cor(1S) 1.999066710 - -9.927848621
437 C21 Val(2S) 0.948133564 - -0.065492278
438 C21 Ryd(3S) 0.001258752 - 1.523674073
439 C21 Ryd(4S) 0.000068201 - 2.714554068
440 C21 Ryd(5S) 0.000015246 - 19.679204308
441 C21 Val(2p) 1.073750914 - 0.043048860
442 C21 Ryd(4p) 0.004217296 - 1.158936461
443 C21 Ryd(3p) 0.000374199 - 0.698896844
444 C21 Ryd(5p) 0.000136805 - 3.364025120
445 C21 Val(2p) 1.063499560 - 0.002012887
446 C21 Ryd(4p) 0.002441029 - 0.838608288
447 C21 Ryd(3p) 0.000446549 - 0.499692907
448 C21 Ryd(5p) 0.000045953 - 3.029457603
449 C21 Val(2p) 1.115778501 - 0.034605655
450 C21 Ryd(4p) 0.004548959 - 1.173245194
451 C21 Ryd(3p) 0.000311653 - 0.623742675
452 C21 Ryd(5p) 0.000093239 - 3.333907676
453 C21 Ryd(3d) 0.000656755 - 1.693795943
454 C21 Ryd(4d) 0.000183135 - 3.497015390
455 C21 Ryd(3d) 0.000916214 - 2.186500826
456 C21 Ryd(4d) 0.000534819 - 3.694337121
457 C21 Ryd(3d) 0.000839890 - 1.536997024
458 C21 Ryd(4d) 0.000217178 - 3.478238923
459 C21 Ryd(3d) 0.000870825 - 1.937078376
460 C21 Ryd(4d) 0.000207313 - 3.496049403
461 C21 Ryd(3d) 0.000754153 - 1.806704441
462 C21 Ryd(4d) 0.000224495 - 3.572174879
463 H22 Val(1S) 0.787574982 - 0.145370913
464 H22 Ryd(2S) 0.000839485 - 1.536166894
465 H22 Ryd(3S) 0.000165985 - 1.768349900
466 H22 Ryd(2p) 0.000134116 - 2.721373473
467 H22 Ryd(2p) 0.000258705 - 2.300547140
468 H22 Ryd(2p) 0.000283029 - 2.796126114
469 H23 Val(1S) 0.792702680 - 0.132610733
470 H23 Ryd(2S) 0.000941174 - 1.521893918
471 H23 Ryd(3S) 0.000155356 - 1.719154509
472 H23 Ryd(2p) 0.000191193 - 2.744303413
473 H23 Ryd(2p) 0.000180305 - 2.227752010
474 H23 Ryd(2p) 0.000315245 - 2.802956971
475 O24 Cor(1S) 1.999718944 - -18.870599009
476 O24 Val(2S) 1.592631336 - -0.783256038
477 O24 Ryd(3S) 0.003458505 - 1.278061027
478 O24 Ryd(4S) 0.000033744 - 1.673641611
479 O24 Ryd(5S) 0.000000456 - 49.385404773
480 O24 Val(2p) 1.521157783 - -0.231907341
481 O24 Ryd(3p) 0.002578797 - 0.889545268
482 O24 Ryd(4p) 0.000885783 - 0.913791951
483 O24 Ryd(5p) 0.000060092 - 5.117750018
484 O24 Val(2p) 1.738242826 - -0.227549057
485 O24 Ryd(3p) 0.002961287 - 0.806407527
486 O24 Ryd(4p) 0.000511248 - 0.884244223
487 O24 Ryd(5p) 0.000011162 - 5.077562276
488 O24 Val(2p) 1.686247447 - -0.239402337
489 O24 Ryd(3p) 0.003652409 - 0.924383380
490 O24 Ryd(4p) 0.000532286 - 1.009812551
491 O24 Ryd(5p) 0.000052489 - 5.212465988
492 O24 Ryd(3d) 0.001366965 - 1.918022703
493 O24 Ryd(4d) 0.000049867 - 7.038331209
494 O24 Ryd(3d) 0.002505048 - 2.007996271
495 O24 Ryd(4d) 0.000082266 - 7.109684462
496 O24 Ryd(3d) 0.002885624 - 1.870898193
497 O24 Ryd(4d) 0.000027460 - 7.015556972
498 O24 Ryd(3d) 0.001561136 - 1.949259076
499 O24 Ryd(4d) 0.000062389 - 7.043073395
500 O24 Ryd(3d) 0.003103693 - 1.887085193
501 O24 Ryd(4d) 0.000065352 - 7.034865107
502 C25 Cor(1S) 1.999264682 - -10.026971325
503 C25 Val(2S) 1.072772977 - -0.196429274
504 C25 Ryd(3S) 0.002079620 - 0.971820378
505 C25 Ryd(4S) 0.000038855 - 1.021768020
506 C25 Ryd(5S) 0.000003771 - 23.296741604
507 C25 Val(2p) 1.106519681 - -0.035252372
508 C25 Ryd(3p) 0.001795252 - 0.923549572
509 C25 Ryd(4p) 0.000381175 - 0.936988205
510 C25 Ryd(5p) 0.000039793 - 2.360837205
511 C25 Val(2p) 1.064695826 - -0.029722471
512 C25 Ryd(3p) 0.001039996 - 0.722541217
513 C25 Ryd(4p) 0.000523257 - 0.888742968
514 C25 Ryd(5p) 0.000051530 - 2.399912526
515 C25 Val(2p) 0.938965313 - -0.016342509
516 C25 Ryd(3p) 0.003018937 - 0.714565544
517 C25 Ryd(4p) 0.000288175 - 0.949055021
518 C25 Ryd(5p) 0.000041373 - 2.422925814
519 C25 Ryd(3d) 0.000781549 - 2.622499956
520 C25 Ryd(4d) 0.000170479 - 2.663989412
521 C25 Ryd(4d) 0.000860610 - 2.698521984
522 C25 Ryd(3d) 0.000221137 - 2.684546094
523 C25 Ryd(4d) 0.001069859 - 2.843305917
524 C25 Ryd(3d) 0.000086993 - 2.678085479
525 C25 Ryd(4d) 0.000897471 - 2.603123343
526 C25 Ryd(3d) 0.000181904 - 2.583389881
527 C25 Ryd(4d) 0.001150634 - 2.692037628
528 C25 Ryd(3d) 0.000080077 - 2.610918646
529 H26 Val(1S) 0.835327178 - 0.070854187
530 H26 Ryd(2S) 0.002037183 - 0.613440197
531 H26 Ryd(3S) 0.000139453 - 2.362276833
532 H26 Ryd(2p) 0.000167661 - 1.978865396
533 H26 Ryd(2p) 0.000301385 - 2.150413584
534 H26 Ryd(2p) 0.000317979 - 2.662814081
535 H27 Val(1S) 0.822082639 - 0.078664935
536 H27 Ryd(2S) 0.000463376 - 0.552662454
537 H27 Ryd(3S) 0.000124673 - 2.323191262
538 H27 Ryd(2p) 0.000436980 - 2.788780061
539 H27 Ryd(2p) 0.000133108 - 1.961331602
540 H27 Ryd(2p) 0.000168675 - 1.979732882
541 H28 Val(1S) 0.833712953 - 0.072010547
542 H28 Ryd(2S) 0.002054515 - 0.615531327
543 H28 Ryd(3S) 0.000140181 - 2.360353836
544 H28 Ryd(2p) 0.000291266 - 2.132634165
545 H28 Ryd(2p) 0.000377851 - 2.683916460
546 H28 Ryd(2p) 0.000114796 - 1.977848718
547 H29 Val(1S) 0.797528928 - 0.129630051
548 H29 Ryd(2S) 0.000886362 - 1.283057653
549 H29 Ryd(3S) 0.000144248 - 1.943126157
550 H29 Ryd(2p) 0.000105905 - 2.695046510
551 H29 Ryd(2p) 0.000287216 - 2.296577630
552 H29 Ryd(2p) 0.000325117 - 2.826465092
553 H30 Val(1S) 0.758637018 - 0.176321112
554 H30 Ryd(2S) 0.001367471 - 1.542514525
555 H30 Ryd(3S) 0.000129140 - 1.861046598
556 H30 Ryd(2p) 0.000202713 - 2.779813543
557 H30 Ryd(2p) 0.000163929 - 2.274456043
558 H30 Ryd(2p) 0.000292202 - 2.904082352

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(C2) 1s(33.24%)p2.01(66.67%)d0.00(0.09%) 1.027818356 - 0.014537395
2 BD(1)C2(C1) 2s(32.33%)p2.09(67.52%)d0.00(0.14%) 0.984628726 - 0.043383265
3 BD(1)C1(C6) 1s(32.83%)p2.04(67.08%)d0.00(0.09%) 1.032542164 - 0.017911792
4 BD(1)C6(C1) 6s(32.52%)p2.07(67.34%)d0.00(0.15%) 0.968959956 - 0.052150422
5 BD(1)C1(F14) 1s(14.82%)p5.73(84.96%)d0.02(0.23%) 0.670040927 - 0.003767757
6 BD(1)F14(C1) 14s(23.11%)p3.32(76.82%)d0.00(0.07%) 1.555142386 - -0.418142382
7 BD(1)C1(O15) 1s(19.02%)p4.25(80.76%)d0.01(0.21%) 0.668483569 - 0.049403602
8 BD(1)O15(C1) 15s(30.26%)p2.30(69.59%)d0.00(0.15%) 1.424862861 - -0.359942118
9 BD(1)C2(C3) 2s(38.73%)p1.58(61.16%)d0.00(0.12%) 0.996808833 - 0.090796649
10 BD(1)C3(C2) 3s(37.49%)p1.67(62.42%)d0.00(0.10%) 0.992539488 - 0.093485507
11 BD(2)C2(C3) 2s(0.01%)p99.99(99.96%)d2.09(0.03%) 1.145440856 - 0.024885549
12 BD(2)C3(C2) 3s(0.00%)p1.00(99.95%)d0.00(0.05%) 0.954421716 - 0.037537255
13 BD(1)C2(H13) 2s(28.76%)p2.47(71.19%)d0.00(0.05%) 1.188354122 - 0.015146647
14 BD(1)H13(C2) 13s(99.96%)p0.00(0.04%) 0.802869696 - 0.182115596
15 BD(1)C3(C4) 3s(34.90%)p1.86(65.00%)d0.00(0.10%) 0.982693464 - 0.091205413
16 BD(1)C4(C3) 4s(33.33%)p2.00(66.60%)d0.00(0.07%) 1.014053583 - 0.077262489
17 BD(1)C3(H12) 3s(27.51%)p2.63(72.42%)d0.00(0.06%) 1.199445036 - 0.018046671
18 BD(1)H12(C3) 12s(99.97%)p0.00(0.03%) 0.793710043 - 0.195540139
19 BD(1)C4(C5) 4s(33.17%)p2.01(66.75%)d0.00(0.08%) 1.010118462 - 0.079376948
20 BD(1)C5(C4) 5s(35.31%)p1.83(64.59%)d0.00(0.09%) 0.984140525 - 0.086193230
21 BD(1)C4(C9) 4s(33.38%)p1.99(66.57%)d0.00(0.05%) 1.062115064 - 0.049455304
22 BD(1)C9(C4) 9s(40.54%)p1.47(59.42%)d0.00(0.05%) 0.966944702 - 0.090001664
23 BD(1)C5(C6) 5s(37.52%)p1.66(62.37%)d0.00(0.11%) 0.997278489 - 0.087842336
24 BD(1)C6(C5) 6s(38.58%)p1.59(61.32%)d0.00(0.11%) 0.993066289 - 0.093075448
25 BD(2)C5(C6) 5s(0.00%)p1.00(99.95%)d0.00(0.05%) 0.978761796 - 0.031746040
26 BD(2)C6(C5) 6s(0.03%)p99.99(99.94%)d1.22(0.03%) 1.154731441 - 0.028574284
27 BD(1)C5(H8) 5s(27.03%)p2.70(72.92%)d0.00(0.04%) 1.179684076 - 0.014994177
28 BD(1)H8(C5) 8s(99.95%)p0.00(0.05%) 0.813081516 - 0.172216787
29 BD(1)C6(H7) 6s(28.74%)p2.48(71.22%)d0.00(0.04%) 1.188592295 - 0.015708943
30 BD(1)H7(C6) 7s(99.96%)p0.00(0.04%) 0.802543232 - 0.182399888
31 BD(1)C9(O10) 9s(32.09%)p2.11(67.81%)d0.00(0.10%) 0.702036208 - 0.159590922
32 BD(1)O10(C9) 10s(40.66%)p1.45(58.88%)d0.01(0.45%) 1.298772281 - -0.317706390
33 BD(2)C9(O10) 9s(0.00%)p1.00(99.87%)d0.00(0.13%) 0.802556534 - 0.034914328
34 BD(2)O10(C9) 10s(0.00%)p1.00(99.71%)d0.00(0.29%) 1.504287715 - -0.097011273
35 BD(1)C9(H11) 9s(27.73%)p2.60(72.21%)d0.00(0.06%) 1.133594662 - 0.003940901
36 BD(1)H11(C9) 11s(99.94%)p0.00(0.06%) 0.923641971 - 0.118444500
37 BD(1)O15(C16) 15s(33.17%)p2.01(66.64%)d0.01(0.19%) 1.347344943 - -0.363219696
38 BD(1)C16(O15) 16s(25.65%)p2.89(74.24%)d0.00(0.12%) 0.675227067 - 0.069425483
39 BD(1)C16(C17) 16s(38.24%)p1.61(61.71%)d0.00(0.05%) 1.006289444 - 0.032511567
40 BD(1)C17(C16) 17s(34.68%)p1.88(65.19%)d0.00(0.13%) 1.000531460 - 0.039973345
41 BD(2)C16(C17) 16s(0.01%)p1.00(99.94%)d0.00(0.05%) 0.983592624 - -0.006366512
42 BD(2)C17(C16) 17s(0.00%)p1.00(99.94%)d0.00(0.06%) 1.025149183 - -0.007339738
43 BD(1)C16(C21) 16s(35.87%)p1.79(64.06%)d0.00(0.07%) 1.001709496 - 0.033776816
44 BD(1)C21(C16) 21s(35.13%)p1.84(64.75%)d0.00(0.12%) 0.994838978 - 0.034156964
45 BD(1)C17(C18) 17s(35.81%)p1.79(64.08%)d0.00(0.11%) 0.981692059 - 0.044887512
46 BD(1)C18(C17) 18s(36.56%)p1.73(63.33%)d0.00(0.11%) 1.002817132 - 0.032759527
47 BD(1)C17(H30) 17s(29.40%)p2.40(70.55%)d0.00(0.05%) 1.232118107 - -0.027478799
48 BD(1)H30(C17) 30s(99.96%)p0.00(0.04%) 0.758965122 - 0.179630304
49 BD(1)C18(C19) 18s(34.93%)p1.86(64.94%)d0.00(0.13%) 0.997652646 - 0.027258902
50 BD(1)C19(C18) 19s(38.66%)p1.58(61.28%)d0.00(0.06%) 1.008389613 - 0.019399455
51 BD(2)C18(C19) 18s(0.00%)p1.00(99.96%)d0.00(0.04%) 1.078940629 - -0.023500754
52 BD(2)C19(C18) 19s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.032454471 - -0.025297247
53 BD(1)C18(H29) 18s(28.36%)p2.52(71.60%)d0.00(0.04%) 1.192416771 - -0.038152929
54 BD(1)H29(C18) 29s(99.96%)p0.00(0.04%) 0.797890172 - 0.132362311
55 BD(1)C19(C20) 19s(37.05%)p1.70(62.89%)d0.00(0.06%) 1.008299214 - 0.022486474
56 BD(1)C20(C19) 20s(34.80%)p1.87(65.07%)d0.00(0.13%) 0.986152901 - 0.031762684
57 BD(1)C19(O24) 19s(24.03%)p3.16(75.85%)d0.00(0.12%) 0.655926420 - 0.034408262
58 BD(1)O24(C19) 24s(33.09%)p2.02(66.72%)d0.01(0.19%) 1.367498372 - -0.399225214
59 BD(1)C20(C21) 20s(36.63%)p1.73(63.27%)d0.00(0.11%) 0.999021275 - 0.035084066
60 BD(1)C21(C20) 21s(36.36%)p1.75(63.53%)d0.00(0.11%) 0.986792190 - 0.040619093
61 BD(2)C20(C21) 20s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.048776593 - -0.019162182
62 BD(2)C21(C20) 21s(0.00%)p1.00(99.96%)d0.00(0.04%) 1.024973624 - -0.011610954
63 BD(1)C20(H23) 20s(28.43%)p2.52(71.53%)d0.00(0.04%) 1.197170609 - -0.039100921
64 BD(1)H23(C20) 23s(99.96%)p0.00(0.04%) 0.793069098 - 0.135165769
65 BD(1)C21(H22) 21s(28.37%)p2.52(71.59%)d0.00(0.04%) 1.202192982 - -0.031419887
66 BD(1)H22(C21) 22s(99.96%)p0.00(0.04%) 0.787943162 - 0.147910156
67 BD(1)O24(C25) 24s(28.57%)p2.49(71.20%)d0.01(0.23%) 1.356024239 - -0.383761005
68 BD(1)C25(O24) 25s(22.62%)p3.42(77.25%)d0.01(0.13%) 0.646059960 - 0.005544138
69 BD(1)C25(H26) 25s(26.13%)p2.82(73.80%)d0.00(0.07%) 1.181770840 - -0.089534205
70 BD(1)H26(C25) 26s(99.95%)p0.00(0.05%) 0.835737421 - 0.073903062
71 BD(1)C25(H27) 25s(25.24%)p2.96(74.70%)d0.00(0.06%) 1.179119870 - -0.080189777
72 BD(1)H27(C25) 27s(99.95%)p0.00(0.05%) 0.822546637 - 0.080280066
73 BD(1)C25(H28) 25s(26.16%)p2.82(73.77%)d0.00(0.07%) 1.183173374 - -0.089655108
74 BD(1)H28(C25) 28s(99.95%)p0.00(0.05%) 0.834123112 - 0.075066969
75 CR(1)C1 s(100.00%)p0.00(0.00%) 1.998658221 - -10.046707059
76 CR(1)C2 s(100.00%)p0.00(0.00%) 1.998977892 - -9.880861586
77 CR(1)C3 s(100.00%)p0.00(0.00%) 1.999065418 - -9.885561822
78 CR(1)C4 s(100.00%) 1.998958811 - -9.869723486
79 CR(1)C5 s(100.00%)p0.00(0.00%) 1.999079448 - -9.889563791
80 CR(1)C6 s(100.00%)p0.00(0.00%) 1.998988910 - -9.876279333
81 CR(1)C9 s(100.00%)p0.00(0.00%) 1.999240386 - -9.964949561
82 CR(1)O10 s(100.00%)p0.00(0.00%) 1.999775569 - -18.700610636
83 CR(1)F14 s(100.00%) 1.999956033 - -24.244264409
84 CR(1)O15 s(100.00%)p0.00(0.00%) 1.999674292 - -18.819406185
85 CR(1)C16 s(100.00%)p0.00(0.00%) 1.998757828 - -9.991497814
86 CR(1)C17 s(100.00%)p0.00(0.00%) 1.999050580 - -9.922530995
87 CR(1)C18 s(100.00%)p0.00(0.00%) 1.999047619 - -9.934774577
88 CR(1)C19 s(100.00%)p0.00(0.00%) 1.998723001 - -10.002242375
89 CR(1)C20 s(100.00%)p0.00(0.00%) 1.999053810 - -9.931653629
90 CR(1)C21 s(100.00%)p0.00(0.00%) 1.999068546 - -9.928032407
91 CR(1)O24 s(100.00%) 1.999718770 - -18.871098845
92 CR(1)C25 s(100.00%)p0.00(0.00%) 1.999260126 - -10.026952602
93 LP(1)C4 s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.196211773 - 0.040543641
94 LP(1)O10 s(59.33%)p0.68(40.60%)d0.00(0.07%) 1.984317529 - -0.538140779
95 LP(2)O10 s(0.08%)p99.99(99.71%)d2.81(0.21%) 1.884775621 - -0.107681529
96 LP(1)F14 s(75.67%)p0.32(24.32%)d0.00(0.00%) 1.989854079 - -0.921645325
97 LP(2)F14 s(0.01%)p1.00(99.97%)d0.00(0.02%) 1.972048273 - -0.234802062
98 LP(3)F14 s(1.20%)p82.07(98.78%)d0.02(0.02%) 1.969114845 - -0.247250057
99 LP(1)O15 s(35.78%)p1.79(64.12%)d0.00(0.10%) 1.951260561 - -0.409864245
100 LP(2)O15 s(0.74%)p99.99(99.14%)d0.15(0.11%) 1.837915494 - -0.194236387
101 LP(1)O24 s(38.40%)p1.60(61.48%)d0.00(0.12%) 1.964599259 - -0.466931346
102 LP(2)O24 s(0.00%)p1.00(99.86%)d0.00(0.14%) 1.865743423 - -0.231117601
103 RY*(1)C1 s(2.98%)p32.07(95.68%)d0.45(1.33%) 0.008808490 - 1.189875166
104 RY*(2)C1 s(1.49%)p52.28(77.88%)d13.85(20.63%) 0.008019186 - 1.270207015
105 RY*(3)C1 s(7.18%)p5.66(40.66%)d7.26(52.16%) 0.005886234 - 1.660260308
106 RY*(4)C1 s(5.00%)p17.44(87.19%)d1.56(7.81%) 0.004512059 - 1.239143711
107 RY*(5)C1 s(0.88%)p13.07(11.44%)d99.99(87.69%) 0.001981315 - 1.817875961
108 RY*(6)C1 s(1.66%)p13.93(23.07%)d45.44(75.27%) 0.001589349 - 1.696557022
109 RY*(7)C1 s(60.57%)p0.17(10.35%)d0.48(29.09%) 0.001161122 - 1.831742693
110 RY*(8)C1 s(10.43%)p0.25(2.58%)d8.34(86.99%) 0.000613028 - 2.901520818
111 RY*(9)C1 s(1.78%)p4.18(7.43%)d51.04(90.79%) 0.000441169 - 2.992636420
112 RY*(10)C1 s(2.78%)p14.78(41.07%)d20.21(56.15%) 0.000312327 - 2.503083381
113 RY*(11)C1 s(0.32%)p71.96(23.15%)d99.99(76.53%) 0.000197164 - 2.705924689
114 RY*(12)C1 s(25.41%)p0.58(14.83%)d2.35(59.76%) 0.000155228 - 2.209054703
115 RY*(13)C1 s(4.43%)p14.91(66.11%)d6.64(29.45%) 0.000117534 - 1.987977131
116 RY*(14)C1 s(2.04%)p32.99(67.47%)d14.91(30.49%) 0.000083459 - 1.372266070
117 RY*(15)C1 s(11.00%)p2.96(32.51%)d5.14(56.49%) 0.000061968 - 3.617900873
118 RY*(16)C1 s(16.72%)p3.34(55.85%)d1.64(27.43%) 0.000036412 - 2.944159532
119 RY*(17)C1 s(0.17%)p99.99(98.08%)d10.51(1.75%) 0.000010194 - 2.593274904
120 RY*(18)C1 s(4.43%)p9.47(41.91%)d12.12(53.66%) 0.000014050 - 3.955727148
121 RY*(19)C1 s(46.80%)p0.24(11.41%)d0.89(41.79%) 0.000014722 - 2.392229137
122 RY*(20)C1 s(1.87%)p42.52(79.52%)d9.95(18.61%) 0.000016542 - 2.958075587
123 RY*(21)C1 s(90.22%)p0.01(1.28%)d0.09(8.50%) 0.000003135 - 20.147595541
124 RY*(22)C1 s(1.94%)p5.68(11.05%)d44.75(87.01%) 0.000012619 - 2.911664219
125 RY*(1)C2 s(0.61%)p99.99(89.86%)d15.76(9.54%) 0.004982501 - 1.327859604
126 RY*(2)C2 s(0.97%)p96.69(94.05%)d5.12(4.98%) 0.002852109 - 0.871312354
127 RY*(3)C2 s(11.98%)p7.12(85.27%)d0.23(2.75%) 0.001718463 - 1.496466701
128 RY*(4)C2 s(61.20%)p0.30(18.07%)d0.34(20.73%) 0.001019038 - 1.321348116
129 RY*(5)C2 s(1.75%)p7.87(13.78%)d48.28(84.47%) 0.000445252 - 1.474086350
130 RY*(6)C2 s(19.68%)p0.53(10.37%)d3.55(69.95%) 0.000283355 - 1.743520206
131 RY*(7)C2 s(2.50%)p15.11(37.78%)d23.87(59.72%) 0.000218227 - 1.478453727
132 RY*(8)C2 s(5.89%)p6.02(35.45%)d9.96(58.66%) 0.000184682 - 2.295787632
133 RY*(9)C2 s(1.93%)p19.12(36.94%)d31.65(61.13%) 0.000157550 - 2.376485617
134 RY*(10)C2 s(10.16%)p2.64(26.77%)d6.21(63.07%) 0.000132048 - 3.135248147
135 RY*(11)C2 s(2.42%)p15.16(36.69%)d25.16(60.89%) 0.000124425 - 2.277344070
136 RY*(12)C2 s(0.99%)p18.00(17.74%)d82.47(81.27%) 0.000095265 - 2.919615886
137 RY*(13)C2 s(15.97%)p2.70(43.11%)d2.56(40.93%) 0.000072521 - 1.371728529
138 RY*(14)C2 s(8.73%)p7.78(67.96%)d2.67(23.30%) 0.000048854 - 2.974161913
139 RY*(15)C2 s(16.53%)p1.99(32.89%)d3.06(50.58%) 0.000041320 - 3.423440782
140 RY*(16)C2 s(2.16%)p36.04(77.98%)d9.17(19.85%) 0.000028063 - 1.586383584
141 RY*(17)C2 s(38.27%)p0.77(29.58%)d0.84(32.15%) 0.000008372 - 2.698857768
142 RY*(18)C2 s(3.65%)p12.71(46.36%)d13.71(49.99%) 0.000013635 - 3.167797756
143 RY*(19)C2 s(94.27%)p0.03(2.86%)d0.03(2.87%) 0.000004225 - 18.739378051
144 RY*(20)C2 s(0.22%)p49.49(10.90%)d99.99(88.88%) 0.000001671 - 3.486794227
145 RY*(21)C2 s(0.09%)p99.99(76.28%)d99.99(23.63%) 0.000007863 - 3.100543695
146 RY*(22)C2 s(0.21%)p44.75(9.48%)d99.99(90.31%) 0.000002065 - 3.440752851
147 RY*(1)C3 s(0.45%)p99.99(91.47%)d17.87(8.07%) 0.006281298 - 1.505860931
148 RY*(2)C3 s(1.26%)p76.03(96.14%)d2.05(2.60%) 0.003753829 - 1.194916638
149 RY*(3)C3 s(12.90%)p3.56(45.96%)d3.19(41.14%) 0.001101561 - 1.599686876
150 RY*(4)C3 s(67.54%)p0.23(15.21%)d0.26(17.25%) 0.000963016 - 1.719022841
151 RY*(5)C3 s(0.06%)p99.99(27.46%)d99.99(72.48%) 0.000555215 - 2.524752284
152 RY*(6)C3 s(0.03%)p99.99(26.23%)d99.99(73.75%) 0.000504832 - 1.497252936
153 RY*(7)C3 s(13.05%)p0.26(3.43%)d6.40(83.52%) 0.000358498 - 2.075866571
154 RY*(8)C3 s(4.20%)p20.57(86.41%)d2.24(9.39%) 0.000208446 - 1.531997080
155 RY*(9)C3 s(1.47%)p4.55(6.70%)d62.42(91.83%) 0.000141993 - 2.450999730
156 RY*(10)C3 s(1.75%)p22.70(39.66%)d33.53(58.59%) 0.000087882 - 2.406833123
157 RY*(11)C3 s(46.29%)p0.28(12.81%)d0.88(40.90%) 0.000065468 - 2.276533049
158 RY*(12)C3 s(4.43%)p9.17(40.65%)d12.38(54.91%) 0.000055158 - 2.161647694
159 RY*(13)C3 s(8.26%)p7.19(59.35%)d3.92(32.40%) 0.000026947 - 2.832252423
160 RY*(14)C3 s(1.28%)p54.13(69.44%)d22.82(29.27%) 0.000018900 - 3.528842359
161 RY*(15)C3 s(39.20%)p0.57(22.29%)d0.98(38.51%) 0.000006832 - 2.140428013
162 RY*(16)C3 s(0.19%)p99.99(42.08%)d99.99(57.73%) 0.000011347 - 1.323445720
163 RY*(17)C3 s(2.52%)p10.71(27.03%)d27.92(70.45%) 0.000009468 - 1.613327755
164 RY*(18)C3 s(1.02%)p16.21(16.55%)d80.73(82.43%) 0.000004148 - 3.354529997
165 RY*(19)C3 s(0.04%)p99.99(98.14%)d46.83(1.82%) 0.000006854 - 3.009766085
166 RY*(20)C3 s(89.52%)p0.08(6.73%)d0.04(3.75%) 0.000006118 - 19.282845744
167 RY*(21)C3 s(4.36%)p13.06(56.94%)d8.88(38.70%) 0.000008306 - 2.675943447
168 RY*(22)C3 s(0.26%)p36.12(9.53%)d99.99(90.20%) 0.000001996 - 3.518186179
169 RY*(1)C4 s(3.73%)p24.11(90.03%)d1.67(6.23%) 0.007060084 - 1.630340281
170 RY*(2)C4 s(0.07%)p99.99(88.55%)d99.99(11.38%) 0.003478821 - 0.652057046
171 RY*(3)C4 s(0.18%)p99.99(90.45%)d51.29(9.37%) 0.003460213 - 1.619508289
172 RY*(4)C4 s(76.24%)p0.11(8.11%)d0.21(15.65%) 0.001233673 - 1.287382554
173 RY*(5)C4 s(0.37%)p18.54(6.82%)d99.99(92.81%) 0.000641346 - 2.794921679
174 RY*(6)C4 s(11.51%)p1.80(20.70%)d5.89(67.78%) 0.000536885 - 2.908686350
175 RY*(7)C4 s(0.04%)p23.72(1.05%)d99.99(98.91%) 0.000306260 - 3.378383866
176 RY*(8)C4 s(0.12%)p99.99(23.22%)d99.99(76.66%) 0.000256990 - 2.431289871
177 RY*(9)C4 s(3.13%)p3.21(10.04%)d27.76(86.83%) 0.000154190 - 2.105979389
178 RY*(10)C4 s(17.94%)p0.61(10.99%)d3.96(71.07%) 0.000117153 - 4.097385557
179 RY*(11)C4 s(32.22%)p1.45(46.59%)d0.66(21.19%) 0.000098142 - 1.568150541
180 RY*(12)C4 s(4.68%)p11.88(55.63%)d8.48(39.69%) 0.000084645 - 2.740724479
181 RY*(13)C4 s(3.65%)p12.72(46.39%)d13.70(49.96%) 0.000028440 - 3.855558666
182 RY*(14)C4 s(32.27%)p1.60(51.75%)d0.50(15.98%) 0.000029186 - 2.383847220
183 RY*(15)C4 s(9.19%)p7.34(67.40%)d2.55(23.41%) 0.000031147 - 4.017066520
184 RY*(16)C4 s(4.96%)p13.49(66.88%)d5.68(28.16%) 0.000005252 - 1.682940571
185 RY*(17)C4 s(1.21%)p2.09(2.53%)d79.59(96.26%) 0.000000944 - 1.835109328
186 RY*(18)C4 s(0.11%)p99.99(98.23%)d14.48(1.66%) 0.000002375 - 2.909291853
187 RY*(19)C4 s(82.92%)p0.14(11.85%)d0.06(5.23%) 0.000002213 - 17.303586288
188 RY*(20)C4 s(6.39%)p12.87(82.22%)d1.78(11.39%) 0.000006097 - 1.048600827
189 RY*(21)C4 s(8.43%)p2.10(17.66%)d8.77(73.91%) 0.000006963 - 1.355457239
190 RY*(22)C4 s(0.76%)p3.93(3.00%)d99.99(96.24%) 0.000002427 - 3.678582710
191 RY*(1)C5 s(0.26%)p99.99(91.53%)d31.83(8.22%) 0.006788659 - 1.449102677
192 RY*(2)C5 s(3.29%)p28.67(94.18%)d0.77(2.53%) 0.002717254 - 1.119128776
193 RY*(3)C5 s(0.21%)p99.99(50.02%)d99.99(49.77%) 0.001458653 - 1.212147935
194 RY*(4)C5 s(45.63%)p0.22(9.84%)d0.98(44.53%) 0.000753384 - 2.078344665
195 RY*(5)C5 s(13.24%)p2.44(32.28%)d4.12(54.48%) 0.000622146 - 2.090835273
196 RY*(6)C5 s(0.15%)p99.99(41.86%)d99.99(58.00%) 0.000527315 - 1.672096038
197 RY*(7)C5 s(10.81%)p4.75(51.41%)d3.49(37.78%) 0.000249599 - 2.293430922
198 RY*(8)C5 s(4.40%)p9.94(43.73%)d11.79(51.87%) 0.000191846 - 1.337375932
199 RY*(9)C5 s(23.54%)p1.51(35.57%)d1.74(40.90%) 0.000138420 - 2.956176397
200 RY*(10)C5 s(0.40%)p69.71(27.54%)d99.99(72.06%) 0.000109246 - 1.254731079
201 RY*(11)C5 s(46.90%)p0.09(4.08%)d1.05(49.03%) 0.000081736 - 1.573744161
202 RY*(12)C5 s(16.15%)p1.29(20.88%)d3.90(62.96%) 0.000055828 - 2.496385515
203 RY*(13)C5 s(0.27%)p99.99(56.48%)d99.99(43.25%) 0.000034151 - 2.336600927
204 RY*(14)C5 s(9.68%)p8.12(78.60%)d1.21(11.72%) 0.000021770 - 4.356368904
205 RY*(15)C5 s(87.22%)p0.08(6.69%)d0.07(6.08%) 0.000004824 - 17.685123406
206 RY*(16)C5 s(0.31%)p14.58(4.48%)d99.99(95.21%) 0.000002538 - 3.103680581
207 RY*(17)C5 s(0.03%)p99.99(72.46%)d99.99(27.51%) 0.000006058 - 1.092279755
208 RY*(18)C5 s(0.42%)p26.09(11.05%)d99.99(88.53%) 0.000010976 - 2.729812121
209 RY*(19)C5 s(8.26%)p3.91(32.29%)d7.19(59.45%) 0.000012369 - 2.786512898
210 RY*(20)C5 s(1.21%)p76.29(92.34%)d5.33(6.45%) 0.000001529 - 2.996069974
211 RY*(21)C5 s(27.35%)p1.45(39.77%)d1.20(32.88%) 0.000010454 - 3.708093868
212 RY*(22)C5 s(0.42%)p7.40(3.09%)d99.99(96.49%) 0.000002833 - 3.573615874
213 RY*(1)C6 s(0.37%)p99.99(89.22%)d28.01(10.40%) 0.005788486 - 1.346421819
214 RY*(2)C6 s(0.31%)p99.99(97.35%)d7.64(2.34%) 0.004119002 - 0.706921682
215 RY*(3)C6 s(6.25%)p14.88(93.00%)d0.12(0.75%) 0.002884059 - 1.265799178
216 RY*(4)C6 s(72.53%)p0.15(10.91%)d0.23(16.56%) 0.000849497 - 1.441923907
217 RY*(5)C6 s(2.70%)p7.24(19.58%)d28.75(77.72%) 0.000455382 - 2.082405008
218 RY*(6)C6 s(0.81%)p12.50(10.06%)d99.99(89.13%) 0.000401680 - 1.531982216
219 RY*(7)C6 s(9.67%)p2.04(19.75%)d7.30(70.58%) 0.000307651 - 1.954879290
220 RY*(8)C6 s(6.40%)p2.01(12.87%)d12.61(80.73%) 0.000204470 - 1.867106919
221 RY*(9)C6 s(13.44%)p1.61(21.69%)d4.83(64.87%) 0.000168256 - 1.758658969
222 RY*(10)C6 s(7.54%)p4.76(35.88%)d7.50(56.58%) 0.000130242 - 2.550749879
223 RY*(11)C6 s(7.48%)p5.02(37.55%)d7.35(54.97%) 0.000078130 - 2.632969424
224 RY*(12)C6 s(5.11%)p3.84(19.63%)d14.72(75.26%) 0.000050763 - 3.030683204
225 RY*(13)C6 s(4.65%)p10.37(48.25%)d10.12(47.09%) 0.000048845 - 3.125296181
226 RY*(14)C6 s(5.69%)p11.00(62.61%)d5.57(31.69%) 0.000030300 - 2.346125789
227 RY*(15)C6 s(7.95%)p9.80(77.91%)d1.78(14.13%) 0.000011189 - 2.819524152
228 RY*(16)C6 s(55.25%)p0.67(37.24%)d0.14(7.51%) 0.000015830 - 2.573972521
229 RY*(17)C6 s(2.30%)p33.08(76.22%)d9.32(21.48%) 0.000014438 - 1.569997836
230 RY*(18)C6 s(0.26%)p5.49(1.41%)d99.99(98.33%) 0.000000418 - 3.511855507
231 RY*(19)C6 s(0.27%)p99.99(86.24%)d50.85(13.49%) 0.000006412 - 2.819102163
232 RY*(20)C6 s(89.33%)p0.07(6.14%)d0.05(4.53%) 0.000002836 - 18.321787498
233 RY*(21)C6 s(1.16%)p28.62(33.07%)d56.93(65.78%) 0.000006216 - 3.074907449
234 RY*(22)C6 s(0.67%)p5.33(3.58%)d99.99(95.75%) 0.000003101 - 3.608302185
235 RY*(1)H7 s(99.49%)p0.01(0.51%) 0.001059193 - 1.578912045
236 RY*(2)H7 s(8.25%)p11.12(91.75%) 0.000308714 - 2.097480385
237 RY*(3)H7 s(83.35%)p0.20(16.65%) 0.000195643 - 2.099525551
238 RY*(4)H7 s(4.63%)p20.58(95.37%) 0.000052093 - 2.766079093
239 RY*(5)H7 s(4.32%)p22.16(95.68%) 0.000029081 - 2.744598678
240 RY*(1)H8 s(99.73%)p0.00(0.27%) 0.001610838 - 1.485506300
241 RY*(2)H8 s(2.11%)p46.30(97.89%) 0.000218747 - 2.056142191
242 RY*(3)H8 s(92.28%)p0.08(7.72%) 0.000176213 - 2.004548896
243 RY*(4)H8 s(1.56%)p63.15(98.44%) 0.000063849 - 2.813063279
244 RY*(5)H8 s(4.36%)p21.92(95.64%) 0.000036244 - 2.766569727
245 RY*(1)C9 s(13.65%)p6.29(85.79%)d0.04(0.56%) 0.012089519 - 1.328962657
246 RY*(2)C9 s(46.95%)p0.27(12.57%)d0.86(40.47%) 0.003801250 - 1.993774921
247 RY*(3)C9 s(2.28%)p20.61(46.96%)d22.28(50.76%) 0.002688602 - 1.720109447
248 RY*(4)C9 s(3.82%)p16.73(63.97%)d8.42(32.21%) 0.002639463 - 1.521204116
249 RY*(5)C9 s(1.20%)p57.90(69.43%)d24.49(29.37%) 0.000412961 - 1.034165679
250 RY*(6)C9 s(21.13%)p2.57(54.36%)d1.16(24.51%) 0.000337523 - 1.722665510
251 RY*(7)C9 s(9.38%)p6.63(62.16%)d3.03(28.47%) 0.000165897 - 5.387938003
252 RY*(8)C9 s(18.25%)p2.40(43.73%)d2.08(38.02%) 0.000083229 - 2.849291687
253 RY*(9)C9 s(39.98%)p0.78(30.99%)d0.73(29.04%) 0.000018244 - 10.724749829
254 RY*(10)C9 s(4.57%)p1.40(6.41%)d19.48(89.02%) 0.000011477 - 3.469049364
255 RY*(11)C9 s(5.35%)p16.82(89.99%)d0.87(4.66%) 0.000005772 - 2.247786381
256 RY*(12)C9 s(0.68%)p99.99(98.79%)d0.80(0.54%) 0.000010583 - 0.680653652
257 RY*(13)C9 s(83.98%)p0.04(3.41%)d0.15(12.61%) 0.000006760 - 1.212548347
258 RY*(14)C9 s(1.94%)p3.96(7.68%)d46.66(90.38%) 0.000009930 - 2.886889518
259 RY*(15)C9 s(10.67%)p1.21(12.96%)d7.16(76.37%) 0.000013165 - 3.708196049
260 RY*(16)C9 s(8.67%)p0.25(2.21%)d10.28(89.13%) 0.000000910 - 4.356494655
261 RY*(17)C9 s(5.12%)p1.01(5.19%)d17.51(89.69%) 0.000001681 - 3.631206818
262 RY*(18)C9 s(2.48%)p1.14(2.83%)d38.26(94.70%) 0.000006503 - 3.051197835
263 RY*(19)C9 s(10.64%)p0.14(1.51%)d8.25(87.85%) 0.000000977 - 4.719465298
264 RY*(20)C9 s(1.10%)p19.86(21.77%)d70.38(77.13%) 0.000001939 - 2.818049767
265 RY*(21)C9 s(2.26%)p40.75(92.29%)d2.40(5.45%) 0.000007186 - 2.709476158
266 RY*(22)C9 s(5.56%)p15.41(85.70%)d1.57(8.74%) 0.000000530 - 3.566352226
267 RY*(1)O10 s(1.86%)p51.76(96.11%)d1.09(2.03%) 0.004333232 - 0.933031577
268 RY*(2)O10 s(0.02%)p99.99(94.16%)d99.99(5.82%) 0.002297932 - 0.893292023
269 RY*(3)O10 s(78.10%)p0.27(20.94%)d0.01(0.95%) 0.000952798 - 0.945481000
270 RY*(4)O10 s(16.89%)p3.01(50.84%)d1.91(32.27%) 0.000121565 - 1.658633557
271 RY*(5)O10 s(10.83%)p2.42(26.20%)d5.81(62.97%) 0.000081334 - 2.559479803
272 RY*(6)O10 s(1.09%)p85.02(92.37%)d6.02(6.54%) 0.000051291 - 1.412670886
273 RY*(7)O10 s(12.03%)p1.96(23.61%)d5.35(64.36%) 0.000037297 - 2.238815189
274 RY*(8)O10 s(0.86%)p23.14(19.85%)d92.40(79.29%) 0.000018789 - 1.706451474
275 RY*(9)O10 s(24.92%)p1.16(28.81%)d1.86(46.28%) 0.000016509 - 1.661600294
276 RY*(10)O10 s(99.95%)p0.00(0.03%)d0.00(0.02%) 0.000000024 - 49.763957016
277 RY*(11)O10 s(0.19%)p99.99(80.80%)d99.99(19.01%) 0.000001138 - 1.245651141
278 RY*(12)O10 s(0.04%)p99.99(99.65%)d8.14(0.31%) 0.000000069 - 5.069645844
279 RY*(13)O10 s(0.70%)p99.99(97.77%)d2.20(1.53%) 0.000000938 - 5.163218118
280 RY*(14)O10 s(0.18%)p13.29(2.35%)d99.99(97.48%) 0.000000099 - 6.672629085
281 RY*(15)O10 s(37.50%)p0.21(7.77%)d1.46(54.73%) 0.000003935 - 1.806545716
282 RY*(16)O10 s(0.00%)p1.00(0.47%)d99.99(99.52%) 0.000000071 - 6.858994205
283 RY*(17)O10 s(0.00%)p1.00(2.56%)d38.05(97.44%) 0.000004973 - 1.700887117
284 RY*(18)O10 s(0.03%)p98.74(2.97%)d99.99(97.00%) 0.000000199 - 6.675553271
285 RY*(19)O10 s(6.95%)p10.92(75.90%)d2.47(17.15%) 0.000004127 - 1.220193150
286 RY*(20)O10 s(0.13%)p5.64(0.73%)d99.99(99.14%) 0.000000109 - 7.026536896
287 RY*(21)O10 s(7.61%)p10.07(76.65%)d2.07(15.73%) 0.000003621 - 4.781723876
288 RY*(22)O10 s(0.04%)p13.71(0.56%)d99.99(99.40%) 0.000000155 - 6.935743063
289 RY*(1)H11 s(98.84%)p0.01(1.16%) 0.003880612 - 0.627778474
290 RY*(2)H11 s(64.45%)p0.55(35.55%) 0.000144279 - 2.323701425
291 RY*(3)H11 s(0.15%)p99.99(99.85%) 0.000131728 - 1.846567144
292 RY*(4)H11 s(34.71%)p1.88(65.29%) 0.000100243 - 2.365099791
293 RY*(5)H11 s(1.90%)p51.61(98.10%) 0.000036393 - 2.845781369
294 RY*(1)H12 s(99.15%)p0.01(0.85%) 0.003458656 - 0.594449765
295 RY*(2)H12 s(91.83%)p0.09(8.17%) 0.000234777 - 2.493488202
296 RY*(3)H12 s(0.51%)p99.99(99.49%) 0.000202426 - 2.078404880
297 RY*(4)H12 s(7.65%)p12.07(92.35%) 0.000053017 - 3.030241424
298 RY*(5)H12 s(0.89%)p99.99(99.11%) 0.000046077 - 2.751023150
299 RY*(1)H13 s(98.27%)p0.02(1.73%) 0.001013124 - 1.470451280
300 RY*(2)H13 s(0.63%)p99.99(99.37%) 0.000301288 - 2.099181089
301 RY*(3)H13 s(96.14%)p0.04(3.86%) 0.000192143 - 2.072996661
302 RY*(4)H13 s(3.30%)p29.28(96.70%) 0.000056918 - 2.971231775
303 RY*(5)H13 s(1.70%)p57.72(98.30%) 0.000033420 - 2.730361279
304 RY*(1)F14 s(1.05%)p92.30(97.32%)d1.54(1.63%) 0.002078880 - 0.550964250
305 RY*(2)F14 s(3.96%)p23.01(91.04%)d1.26(5.00%) 0.001582952 - 0.818602057
306 RY*(3)F14 s(18.34%)p4.25(77.95%)d0.20(3.71%) 0.000760464 - 0.760175564
307 RY*(4)F14 s(71.21%)p0.35(24.80%)d0.06(3.99%) 0.000500063 - 1.634056127
308 RY*(5)F14 s(7.60%)p3.53(26.83%)d8.63(65.57%) 0.000069033 - 2.728061551
309 RY*(6)F14 s(4.91%)p1.65(8.10%)d17.71(86.99%) 0.000053920 - 2.641010638
310 RY*(7)F14 s(0.94%)p73.49(69.03%)d31.97(30.03%) 0.000047575 - 1.941262139
311 RY*(8)F14 s(2.47%)p25.38(62.70%)d14.10(34.83%) 0.000043077 - 2.809828381
312 RY*(9)F14 s(58.90%)p0.15(8.89%)d0.55(32.21%) 0.000025068 - 2.702286710
313 RY*(10)F14 s(0.40%)p86.19(34.76%)d99.99(64.84%) 0.000023372 - 2.544207872
314 RY*(11)F14 s(2.34%)p35.29(82.64%)d6.41(15.01%) 0.000011706 - 2.101932315
315 RY*(12)F14 s(2.29%)p40.61(92.99%)d2.06(4.72%) 0.000002034 - 6.107967236
316 RY*(13)F14 s(12.10%)p1.48(17.95%)d5.78(69.95%) 0.000005840 - 2.637863973
317 RY*(14)F14 s(0.85%)p0.58(0.50%)d99.99(98.65%) 0.000000440 - 9.201040643
318 RY*(15)F14 s(2.40%)p40.30(96.92%)d0.28(0.67%) 0.000000451 - 6.316249537
319 RY*(16)F14 s(3.36%)p0.40(1.36%)d28.36(95.28%) 0.000000212 - 9.010561263
320 RY*(17)F14 s(99.96%)p0.00(0.03%)d0.00(0.01%) 0.000000029 - 66.821848787
321 RY*(18)F14 s(0.10%)p16.97(1.73%)d99.99(98.17%) 0.000000319 - 9.310319010
322 RY*(19)F14 s(4.10%)p1.21(4.97%)d22.15(90.93%) 0.000006981 - 2.416428057
323 RY*(20)F14 s(0.06%)p12.02(0.67%)d99.99(99.28%) 0.000000338 - 9.192738179
324 RY*(21)F14 s(0.96%)p99.99(97.98%)d1.10(1.06%) 0.000001345 - 6.440306836
325 RY*(22)F14 s(1.69%)p0.57(0.97%)d57.55(97.34%) 0.000002017 - 9.293106973
326 RY*(1)O15 s(8.14%)p11.12(90.52%)d0.17(1.34%) 0.006178547 - 0.773962712
327 RY*(2)O15 s(4.00%)p23.61(94.34%)d0.42(1.67%) 0.005059754 - 0.817952683
328 RY*(3)O15 s(3.58%)p26.62(95.30%)d0.31(1.12%) 0.002103564 - 0.999019046
329 RY*(4)O15 s(27.84%)p1.99(55.47%)d0.60(16.69%) 0.001264898 - 1.406861023
330 RY*(5)O15 s(49.79%)p0.62(31.09%)d0.38(19.11%) 0.000662367 - 1.915610427
331 RY*(6)O15 s(0.43%)p99.99(65.43%)d78.65(34.13%) 0.000402147 - 2.448227128
332 RY*(7)O15 s(1.85%)p35.23(65.06%)d17.92(33.10%) 0.000396160 - 1.650822119
333 RY*(8)O15 s(2.16%)p7.95(17.15%)d37.38(80.69%) 0.000232981 - 2.158389428
334 RY*(9)O15 s(8.30%)p2.87(23.81%)d8.17(67.88%) 0.000186527 - 2.445464724
335 RY*(10)O15 s(0.67%)p25.65(17.10%)d99.99(82.24%) 0.000101782 - 2.655986514
336 RY*(11)O15 s(3.82%)p6.50(24.84%)d18.65(71.33%) 0.000077931 - 1.969794531
337 RY*(12)O15 s(0.35%)p48.11(16.72%)d99.99(82.93%) 0.000051536 - 3.106209112
338 RY*(13)O15 s(6.80%)p12.02(81.66%)d1.70(11.55%) 0.000040829 - 4.756390838
339 RY*(14)O15 s(0.03%)p62.82(2.20%)d99.99(97.77%) 0.000009222 - 6.702330327
340 RY*(15)O15 s(1.46%)p65.55(95.89%)d1.81(2.65%) 0.000014382 - 5.053978597
341 RY*(16)O15 s(72.99%)p0.20(14.85%)d0.17(12.16%) 0.000017199 - 2.124636160
342 RY*(17)O15 s(99.16%)p0.01(0.79%)d0.00(0.05%) 0.000000135 - 49.296509764
343 RY*(18)O15 s(0.43%)p1.75(0.75%)d99.99(98.82%) 0.000001662 - 6.621121868
344 RY*(19)O15 s(0.97%)p4.58(4.43%)d97.90(94.60%) 0.000006788 - 5.971496611
345 RY*(20)O15 s(6.00%)p0.54(3.25%)d15.12(90.75%) 0.000002393 - 6.503828545
346 RY*(21)O15 s(0.17%)p99.99(99.01%)d4.92(0.82%) 0.000008479 - 4.930075975
347 RY*(22)O15 s(1.11%)p0.77(0.85%)d88.21(98.03%) 0.000001758 - 6.396203205
348 RY*(1)C16 s(0.24%)p99.99(96.41%)d14.13(3.35%) 0.007576536 - 1.397152366
349 RY*(2)C16 s(0.62%)p99.99(95.71%)d5.91(3.67%) 0.004179310 - 1.641110972
350 RY*(3)C16 s(3.17%)p4.01(12.74%)d26.50(84.09%) 0.001890952 - 1.773820913
351 RY*(4)C16 s(28.44%)p0.54(15.39%)d1.98(56.17%) 0.001520035 - 1.713257029
352 RY*(5)C16 s(3.08%)p21.20(65.38%)d10.23(31.53%) 0.001124093 - 1.494351352
353 RY*(6)C16 s(20.59%)p1.20(24.64%)d2.66(54.77%) 0.000774885 - 2.802195953
354 RY*(7)C16 s(2.17%)p5.43(11.79%)d39.60(86.03%) 0.000596775 - 2.654503253
355 RY*(8)C16 s(4.35%)p2.38(10.38%)d19.58(85.27%) 0.000448877 - 2.959436382
356 RY*(9)C16 s(27.89%)p0.46(12.92%)d2.12(59.19%) 0.000369860 - 2.708090321
357 RY*(10)C16 s(1.27%)p7.90(10.06%)d69.66(88.67%) 0.000271223 - 2.440888017
358 RY*(11)C16 s(6.02%)p7.06(42.50%)d8.56(51.49%) 0.000117895 - 1.944788368
359 RY*(12)C16 s(23.42%)p0.98(23.05%)d2.29(53.53%) 0.000113995 - 2.387289829
360 RY*(13)C16 s(12.04%)p4.85(58.36%)d2.46(29.60%) 0.000080940 - 2.786751232
361 RY*(14)C16 s(6.15%)p13.98(85.93%)d1.29(7.93%) 0.000053674 - 2.826572898
362 RY*(15)C16 s(8.60%)p6.89(59.27%)d3.73(32.13%) 0.000039293 - 1.830274539
363 RY*(16)C16 s(7.54%)p11.05(83.29%)d1.22(9.17%) 0.000016103 - 3.972466543
364 RY*(17)C16 s(38.79%)p1.29(50.04%)d0.29(11.17%) 0.000018076 - 1.487114513
365 RY*(18)C16 s(86.88%)p0.13(11.12%)d0.02(2.00%) 0.000003763 - 17.871153359
366 RY*(19)C16 s(0.33%)p46.89(15.58%)d99.99(84.09%) 0.000007259 - 1.681065449
367 RY*(20)C16 s(14.93%)p0.76(11.33%)d4.94(73.74%) 0.000009801 - 2.826325621
368 RY*(21)C16 s(3.18%)p3.34(10.62%)d27.12(86.20%) 0.000013147 - 3.142103402
369 RY*(22)C16 s(0.52%)p99.99(93.54%)d11.33(5.94%) 0.000008904 - 2.978563967
370 RY*(1)C17 s(0.09%)p99.99(88.99%)d99.99(10.91%) 0.005318398 - 1.407372343
371 RY*(2)C17 s(1.21%)p80.27(97.24%)d1.28(1.55%) 0.002455329 - 1.462857428
372 RY*(3)C17 s(3.62%)p24.98(90.46%)d1.63(5.91%) 0.001242961 - 0.658865798
373 RY*(4)C17 s(56.52%)p0.12(6.55%)d0.65(36.94%) 0.000792951 - 2.033259555
374 RY*(5)C17 s(0.21%)p95.86(19.93%)d99.99(79.86%) 0.000613610 - 2.228963466
375 RY*(6)C17 s(7.40%)p4.83(35.71%)d7.69(56.89%) 0.000511951 - 1.679583673
376 RY*(7)C17 s(16.61%)p1.49(24.75%)d3.53(58.63%) 0.000339225 - 1.872213536
377 RY*(8)C17 s(16.46%)p2.42(39.82%)d2.66(43.72%) 0.000271633 - 1.323048208
378 RY*(9)C17 s(1.31%)p26.36(34.65%)d48.71(64.04%) 0.000201586 - 1.337535499
379 RY*(10)C17 s(13.67%)p2.22(30.40%)d4.09(55.92%) 0.000121576 - 1.743760607
380 RY*(11)C17 s(10.48%)p3.10(32.50%)d5.44(57.02%) 0.000106543 - 3.198155379
381 RY*(12)C17 s(8.70%)p4.88(42.49%)d5.61(48.81%) 0.000071716 - 2.239717633
382 RY*(13)C17 s(8.74%)p2.35(20.56%)d8.09(70.70%) 0.000077191 - 3.578672004
383 RY*(14)C17 s(18.06%)p2.81(50.72%)d1.73(31.22%) 0.000045428 - 1.781867602
384 RY*(15)C17 s(19.76%)p3.09(61.15%)d0.97(19.09%) 0.000047164 - 2.467492783
385 RY*(16)C17 s(23.31%)p0.84(19.69%)d2.44(57.00%) 0.000018555 - 3.482332013
386 RY*(17)C17 s(0.98%)p19.87(19.46%)d81.24(79.56%) 0.000017923 - 2.305886905
387 RY*(18)C17 s(10.04%)p8.31(83.44%)d0.65(6.52%) 0.000017618 - 3.826594915
388 RY*(19)C17 s(78.88%)p0.17(13.28%)d0.10(7.84%) 0.000002873 - 17.566409522
389 RY*(20)C17 s(0.15%)p7.23(1.09%)d99.99(98.76%) 0.000002258 - 3.566055309
390 RY*(21)C17 s(2.93%)p28.77(84.22%)d4.39(12.86%) 0.000007978 - 3.346203069
391 RY*(22)C17 s(0.98%)p3.20(3.12%)d98.27(95.90%) 0.000002117 - 3.573488286
392 RY*(1)C18 s(0.34%)p99.99(84.69%)d43.91(14.97%) 0.004567908 - 1.439775917
393 RY*(2)C18 s(1.07%)p91.43(98.03%)d0.84(0.90%) 0.001601864 - 1.744558563
394 RY*(3)C18 s(0.06%)p99.99(87.99%)d99.99(11.95%) 0.001322736 - 0.521330749
395 RY*(4)C18 s(34.93%)p0.47(16.35%)d1.40(48.73%) 0.000787119 - 2.098857519
396 RY*(5)C18 s(0.75%)p4.95(3.69%)d99.99(95.56%) 0.000559734 - 2.199939668
397 RY*(6)C18 s(11.87%)p4.94(58.64%)d2.48(29.49%) 0.000336548 - 1.731332184
398 RY*(7)C18 s(34.86%)p0.55(19.25%)d1.32(45.89%) 0.000260911 - 1.679478360
399 RY*(8)C18 s(37.90%)p0.92(34.72%)d0.72(27.39%) 0.000213848 - 1.602868511
400 RY*(9)C18 s(1.28%)p21.20(27.19%)d55.78(71.53%) 0.000186223 - 0.881205133
401 RY*(10)C18 s(14.86%)p1.32(19.64%)d4.41(65.51%) 0.000079751 - 2.571446205
402 RY*(11)C18 s(6.11%)p4.05(24.74%)d11.32(69.15%) 0.000081445 - 2.715037872
403 RY*(12)C18 s(1.16%)p36.15(41.96%)d49.01(56.88%) 0.000065184 - 1.957577846
404 RY*(13)C18 s(11.61%)p3.53(40.99%)d4.08(47.40%) 0.000045793 - 4.341950952
405 RY*(14)C18 s(14.69%)p2.38(35.02%)d3.42(50.29%) 0.000018397 - 3.160721171
406 RY*(15)C18 s(22.12%)p2.29(50.57%)d1.23(27.31%) 0.000027410 - 2.458189113
407 RY*(16)C18 s(4.17%)p10.14(42.34%)d12.81(53.49%) 0.000019413 - 3.307989555
408 RY*(17)C18 s(5.26%)p14.64(76.92%)d3.39(17.83%) 0.000017741 - 2.479921624
409 RY*(18)C18 s(2.71%)p2.78(7.54%)d33.08(89.75%) 0.000002328 - 3.490036502
410 RY*(19)C18 s(74.36%)p0.27(19.71%)d0.08(5.92%) 0.000004100 - 16.359623947
411 RY*(20)C18 s(9.33%)p1.59(14.80%)d8.13(75.86%) 0.000004571 - 3.097469692
412 RY*(21)C18 s(7.51%)p8.99(67.53%)d3.32(24.95%) 0.000002674 - 3.305422283
413 RY*(22)C18 s(3.19%)p8.72(27.85%)d21.59(68.95%) 0.000008423 - 2.758412011
414 RY*(1)C19 s(0.68%)p99.99(96.30%)d4.46(3.03%) 0.006447307 - 1.434441478
415 RY*(2)C19 s(0.11%)p99.99(94.32%)d50.33(5.57%) 0.004278967 - 1.589074571
416 RY*(3)C19 s(17.99%)p0.20(3.55%)d4.36(78.46%) 0.001572164 - 1.819894387
417 RY*(4)C19 s(0.00%)p1.00(18.64%)d4.36(81.35%) 0.001256549 - 1.991248317
418 RY*(5)C19 s(31.68%)p0.11(3.33%)d2.05(64.98%) 0.000734487 - 2.510841368
419 RY*(6)C19 s(0.70%)p70.88(49.72%)d70.68(49.58%) 0.000586265 - 2.615888800
420 RY*(7)C19 s(0.04%)p99.99(61.63%)d99.99(38.33%) 0.000565142 - 1.989251147
421 RY*(8)C19 s(0.01%)p1.00(3.51%)d27.45(96.48%) 0.000502048 - 2.914423194
422 RY*(9)C19 s(30.25%)p0.57(17.25%)d1.74(52.50%) 0.000336701 - 1.905811614
423 RY*(10)C19 s(2.18%)p12.32(26.82%)d32.60(71.00%) 0.000101809 - 2.054542279
424 RY*(11)C19 s(11.07%)p1.20(13.28%)d6.83(75.64%) 0.000101907 - 3.224806887
425 RY*(12)C19 s(8.53%)p2.38(20.26%)d8.35(71.22%) 0.000092295 - 2.930092791
426 RY*(13)C19 s(23.67%)p2.53(59.88%)d0.69(16.45%) 0.000070268 - 4.821918209
427 RY*(14)C19 s(43.73%)p0.83(36.31%)d0.46(19.96%) 0.000034788 - 4.094764809
428 RY*(15)C19 s(7.37%)p10.05(73.99%)d2.53(18.64%) 0.000029420 - 1.108148531
429 RY*(16)C19 s(1.72%)p48.86(84.12%)d8.22(14.16%) 0.000016185 - 2.422722876
430 RY*(17)C19 s(1.46%)p48.42(70.74%)d19.02(27.79%) 0.000002014 - 1.626073847
431 RY*(18)C19 s(4.42%)p0.68(3.02%)d20.95(92.56%) 0.000003987 - 2.434551159
432 RY*(19)C19 s(0.36%)p54.55(19.87%)d99.99(79.76%) 0.000001987 - 2.604162481
433 RY*(20)C19 s(31.82%)p1.55(49.28%)d0.59(18.91%) 0.000011842 - 3.531784738
434 RY*(21)C19 s(81.84%)p0.15(12.54%)d0.07(5.61%) 0.000002981 - 13.470067861
435 RY*(22)C19 s(0.61%)p99.99(81.62%)d29.13(17.77%) 0.000001204 - 2.889823659
436 RY*(1)C20 s(0.17%)p99.99(87.55%)d71.11(12.27%) 0.005764708 - 1.443057647
437 RY*(2)C20 s(1.28%)p75.08(96.25%)d1.92(2.47%) 0.002593951 - 1.251329205
438 RY*(3)C20 s(0.10%)p99.99(76.15%)d99.99(23.75%) 0.001111016 - 0.768747210
439 RY*(4)C20 s(43.12%)p0.22(9.66%)d1.09(47.21%) 0.000833782 - 2.101408347
440 RY*(5)C20 s(0.11%)p81.99(9.30%)d99.99(90.59%) 0.000455449 - 2.152077096
441 RY*(6)C20 s(14.99%)p2.68(40.24%)d2.99(44.77%) 0.000319026 - 2.746039469
442 RY*(7)C20 s(23.53%)p1.09(25.72%)d2.16(50.76%) 0.000187030 - 2.445134602
443 RY*(8)C20 s(31.05%)p0.36(11.08%)d1.86(57.87%) 0.000127646 - 1.759517898
444 RY*(9)C20 s(0.75%)p21.19(16.00%)d99.99(83.25%) 0.000124815 - 2.011185742
445 RY*(10)C20 s(10.32%)p1.18(12.16%)d7.51(77.52%) 0.000104010 - 1.856896480
446 RY*(11)C20 s(21.65%)p1.89(40.93%)d1.73(37.42%) 0.000051164 - 3.068593003
447 RY*(12)C20 s(0.51%)p99.99(75.33%)d47.15(24.16%) 0.000028763 - 2.889881507
448 RY*(13)C20 s(11.68%)p5.42(63.33%)d2.14(24.99%) 0.000026334 - 1.723796686
449 RY*(14)C20 s(4.66%)p17.04(79.34%)d3.44(16.01%) 0.000025648 - 1.428207065
450 RY*(15)C20 s(2.06%)p29.46(60.71%)d18.07(37.23%) 0.000017734 - 1.727103710
451 RY*(16)C20 s(4.22%)p8.67(36.54%)d14.05(59.25%) 0.000001921 - 3.031062157
452 RY*(17)C20 s(93.98%)p0.05(4.75%)d0.01(1.27%) 0.000004128 - 18.831224102
453 RY*(18)C20 s(1.45%)p2.40(3.48%)d65.56(95.07%) 0.000002095 - 3.136595601
454 RY*(19)C20 s(5.92%)p14.18(83.90%)d1.72(10.18%) 0.000003572 - 2.714329500
455 RY*(20)C20 s(0.22%)p32.90(7.09%)d99.99(92.69%) 0.000001823 - 2.190126762
456 RY*(21)C20 s(26.14%)p1.27(33.17%)d1.56(40.69%) 0.000008880 - 3.138569730
457 RY*(22)C20 s(2.25%)p12.23(27.49%)d31.25(70.26%) 0.000008464 - 2.803829710
458 RY*(1)C21 s(0.18%)p99.99(86.94%)d73.54(12.89%) 0.005561063 - 1.459706997
459 RY*(2)C21 s(0.29%)p99.99(97.67%)d7.05(2.04%) 0.002692568 - 1.222392071
460 RY*(3)C21 s(10.51%)p7.05(74.08%)d1.47(15.41%) 0.000922470 - 0.795319396
461 RY*(4)C21 s(39.33%)p0.47(18.58%)d1.07(42.09%) 0.000775215 - 1.955682426
462 RY*(5)C21 s(0.50%)p36.19(18.03%)d99.99(81.48%) 0.000503503 - 2.362474689
463 RY*(6)C21 s(18.57%)p1.72(31.88%)d2.67(49.55%) 0.000348085 - 2.236653675
464 RY*(7)C21 s(11.02%)p1.25(13.75%)d6.83(75.23%) 0.000290000 - 1.929013514
465 RY*(8)C21 s(7.07%)p2.68(18.95%)d10.46(73.98%) 0.000210754 - 1.980333939
466 RY*(9)C21 s(6.13%)p2.37(14.55%)d12.94(79.32%) 0.000118148 - 1.949665214
467 RY*(10)C21 s(37.04%)p0.79(29.21%)d0.91(33.75%) 0.000098017 - 2.532567358
468 RY*(11)C21 s(13.41%)p5.18(69.43%)d1.28(17.15%) 0.000044886 - 3.240555919
469 RY*(12)C21 s(0.77%)p77.09(59.52%)d51.43(39.71%) 0.000033820 - 2.133401724
470 RY*(13)C21 s(24.12%)p1.33(32.03%)d1.82(43.85%) 0.000039316 - 3.029732022
471 RY*(14)C21 s(15.98%)p4.50(71.89%)d0.76(12.13%) 0.000016080 - 1.239327939
472 RY*(15)C21 s(2.73%)p19.38(52.94%)d16.23(44.33%) 0.000022793 - 2.162180215
473 RY*(16)C21 s(11.17%)p1.48(16.49%)d6.48(72.34%) 0.000009466 - 3.094764189
474 RY*(17)C21 s(7.33%)p8.33(61.10%)d4.30(31.57%) 0.000009793 - 2.531440610
475 RY*(18)C21 s(0.72%)p6.68(4.81%)d99.99(94.47%) 0.000003695 - 3.457187017
476 RY*(19)C21 s(4.91%)p18.38(90.26%)d0.98(4.83%) 0.000007648 - 2.897031810
477 RY*(20)C21 s(1.25%)p8.36(10.45%)d70.59(88.30%) 0.000004914 - 3.053586997
478 RY*(21)C21 s(81.99%)p0.16(13.24%)d0.06(4.76%) 0.000002858 - 17.347687741
479 RY*(22)C21 s(5.12%)p2.80(14.35%)d15.74(80.53%) 0.000010496 - 2.908745776
480 RY*(1)H22 s(99.91%)p0.00(0.09%) 0.000842069 - 1.546823559
481 RY*(2)H22 s(6.81%)p13.69(93.19%) 0.000208409 - 2.044906772
482 RY*(3)H22 s(86.81%)p0.15(13.19%) 0.000171406 - 1.958173571
483 RY*(4)H22 s(0.04%)p99.99(99.96%) 0.000041055 - 2.821656380
484 RY*(5)H22 s(6.48%)p14.44(93.52%) 0.000050202 - 2.748463995
485 RY*(1)H23 s(99.85%)p0.00(0.15%) 0.000944421 - 1.538664227
486 RY*(2)H23 s(0.51%)p99.99(99.49%) 0.000220307 - 2.046755239
487 RY*(3)H23 s(93.24%)p0.07(6.76%) 0.000162418 - 1.909661440
488 RY*(4)H23 s(0.25%)p99.99(99.75%) 0.000040376 - 2.764438030
489 RY*(5)H23 s(6.19%)p15.14(93.81%) 0.000049334 - 2.753986847
490 RY*(1)O24 s(19.12%)p4.13(79.02%)d0.10(1.85%) 0.004624450 - 0.795191634
491 RY*(2)O24 s(0.00%)p1.00(97.61%)d0.02(2.38%) 0.003511745 - 0.907892875
492 RY*(3)O24 s(0.58%)p99.99(82.28%)d29.45(17.14%) 0.001057822 - 1.459879254
493 RY*(4)O24 s(4.22%)p20.38(85.92%)d2.34(9.86%) 0.000675573 - 0.948478493
494 RY*(5)O24 s(2.09%)p25.67(53.75%)d21.09(44.15%) 0.000302870 - 1.900225200
495 RY*(6)O24 s(0.03%)p99.99(53.70%)d99.99(46.27%) 0.000235715 - 2.090337641
496 RY*(7)O24 s(55.33%)p0.31(16.89%)d0.50(27.78%) 0.000164346 - 1.717116920
497 RY*(8)O24 s(0.35%)p25.99(9.00%)d99.99(90.65%) 0.000128326 - 3.081011740
498 RY*(9)O24 s(5.26%)p12.74(66.98%)d5.28(27.77%) 0.000051897 - 3.451981627
499 RY*(10)O24 s(1.47%)p17.79(26.20%)d49.12(72.33%) 0.000044077 - 2.240093141
500 RY*(11)O24 s(7.43%)p5.95(44.23%)d6.50(48.33%) 0.000029259 - 2.827434909
501 RY*(12)O24 s(0.22%)p99.99(97.91%)d8.50(1.87%) 0.000003049 - 4.989081094
502 RY*(13)O24 s(0.08%)p99.99(99.34%)d7.16(0.58%) 0.000001030 - 4.972085956
503 RY*(14)O24 s(0.07%)p47.03(3.31%)d99.99(96.62%) 0.000002021 - 6.273869554
504 RY*(15)O24 s(99.73%)p0.00(0.20%)d0.00(0.07%) 0.000000051 - 49.284061154
505 RY*(16)O24 s(1.87%)p3.28(6.13%)d49.19(92.00%) 0.000003529 - 6.415453987
506 RY*(17)O24 s(96.20%)p0.02(1.88%)d0.02(1.91%) 0.000007447 - 1.930150177
507 RY*(18)O24 s(1.35%)p1.26(1.70%)d72.01(96.96%) 0.000001570 - 6.633927907
508 RY*(19)O24 s(0.63%)p56.69(35.65%)d99.99(63.72%) 0.000005420 - 2.123391637
509 RY*(20)O24 s(1.13%)p6.70(7.58%)d80.65(91.29%) 0.000001661 - 4.545412525
510 RY*(21)O24 s(0.30%)p92.84(28.25%)d99.99(71.44%) 0.000008432 - 3.244673429
511 RY*(22)O24 s(2.47%)p1.30(3.20%)d38.21(94.33%) 0.000002042 - 6.215512548
512 RY*(1)C25 s(20.06%)p2.57(51.54%)d1.42(28.40%) 0.002673773 - 1.237603530
513 RY*(2)C25 s(0.01%)p1.00(30.70%)d2.26(69.29%) 0.002237828 - 1.607363646
514 RY*(3)C25 s(3.48%)p26.07(90.84%)d1.63(5.68%) 0.001660734 - 0.929587657
515 RY*(4)C25 s(7.95%)p7.03(55.86%)d4.55(36.19%) 0.000415467 - 1.793779691
516 RY*(5)C25 s(0.11%)p99.99(90.80%)d83.46(9.09%) 0.000370545 - 0.718457444
517 RY*(6)C25 s(15.21%)p2.19(33.25%)d3.39(51.53%) 0.000160044 - 1.468132479
518 RY*(7)C25 s(3.08%)p20.98(64.72%)d10.44(32.20%) 0.000049492 - 2.874298486
519 RY*(8)C25 s(90.26%)p0.10(9.44%)d0.00(0.30%) 0.000010741 - 0.774810227
520 RY*(9)C25 s(0.02%)p99.99(76.89%)d99.99(23.10%) 0.000004806 - 2.378410552
521 RY*(10)C25 s(96.38%)p0.02(2.29%)d0.01(1.33%) 0.000000202 - 22.747854796
522 RY*(11)C25 s(41.73%)p0.51(21.33%)d0.89(36.94%) 0.000003200 - 1.531279842
523 RY*(12)C25 s(1.66%)p54.51(90.68%)d4.61(7.66%) 0.000004427 - 1.969619768
524 RY*(13)C25 s(0.47%)p32.75(15.51%)d99.99(84.02%) 0.000003133 - 2.089979996
525 RY*(14)C25 s(0.77%)p18.43(14.14%)d99.99(85.09%) 0.000006620 - 2.782614098
526 RY*(15)C25 s(8.56%)p5.75(49.26%)d4.92(42.17%) 0.000004325 - 1.693032445
527 RY*(16)C25 s(0.40%)p22.89(9.07%)d99.99(90.53%) 0.000005857 - 3.042464591
528 RY*(17)C25 s(4.93%)p8.31(41.00%)d10.96(54.07%) 0.000004473 - 1.815535316
529 RY*(18)C25 s(0.02%)p99.99(5.10%)d99.99(94.88%) 0.000001926 - 2.551738256
530 RY*(19)C25 s(0.21%)p99.99(98.57%)d5.78(1.22%) 0.000006234 - 2.519616683
531 RY*(20)C25 s(2.74%)p2.12(5.82%)d33.32(91.44%) 0.000007630 - 2.775238189
532 RY*(21)C25 s(1.41%)p24.77(34.87%)d45.27(63.73%) 0.000002133 - 2.228800773
533 RY*(22)C25 s(0.38%)p23.11(8.83%)d99.99(90.79%) 0.000003162 - 2.735717553
534 RY*(1)H26 s(97.84%)p0.02(2.16%) 0.002105545 - 0.634841005
535 RY*(2)H26 s(40.75%)p1.45(59.25%) 0.000218427 - 2.159518585
536 RY*(3)H26 s(12.89%)p6.76(87.11%) 0.000107487 - 2.004851793
537 RY*(4)H26 s(45.93%)p1.18(54.07%) 0.000082465 - 2.054193146
538 RY*(5)H26 s(2.64%)p36.91(97.36%) 0.000039494 - 2.911356687
539 RY*(1)H27 s(93.86%)p0.07(6.14%) 0.000489156 - 0.642492419
540 RY*(2)H27 s(67.90%)p0.47(32.10%) 0.000161150 - 2.161302235
541 RY*(3)H27 s(0.00%)p1.00(100.00%) 0.000135948 - 1.881713872
542 RY*(4)H27 s(34.44%)p1.90(65.56%) 0.000057199 - 2.137084572
543 RY*(5)H27 s(3.86%)p24.91(96.14%) 0.000019362 - 2.781490032
544 RY*(1)H28 s(97.97%)p0.02(2.03%) 0.002120664 - 0.635229339
545 RY*(2)H28 s(41.51%)p1.41(58.49%) 0.000219089 - 2.160926152
546 RY*(3)H28 s(11.23%)p7.91(88.77%) 0.000107329 - 1.998295899
547 RY*(4)H28 s(46.85%)p1.13(53.15%) 0.000081970 - 2.059797834
548 RY*(5)H28 s(2.50%)p39.08(97.50%) 0.000039400 - 2.912978860
549 RY*(1)H29 s(99.15%)p0.01(0.85%) 0.000895900 - 1.302226256
550 RY*(2)H29 s(0.01%)p1.00(99.99%) 0.000251911 - 2.046916994
551 RY*(3)H29 s(98.27%)p0.02(1.73%) 0.000146086 - 1.998970994
552 RY*(4)H29 s(1.88%)p52.15(98.12%) 0.000057306 - 2.951505255
553 RY*(5)H29 s(0.73%)p99.99(99.27%) 0.000036402 - 2.741921282
554 RY*(1)H30 s(99.46%)p0.01(0.54%) 0.001380550 - 1.567385800
555 RY*(2)H30 s(0.17%)p99.99(99.83%) 0.000202668 - 2.100178723
556 RY*(3)H30 s(88.33%)p0.13(11.67%) 0.000138955 - 2.174320872
557 RY*(4)H30 s(2.23%)p43.75(97.77%) 0.000056555 - 2.729697276
558 RY*(5)H30 s(9.84%)p9.17(90.16%) 0.000048624 - 2.787021198

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-C2 1, 2 1.974977835 - -0.531736729
2 BD(1)C1-C6 3, 4 1.972136792 - -0.528776509
3 BD(1)C1-F14 5, 6 1.987042164 - -0.667143107
4 BD(1)C1-O15 7, 8 1.981752349 - -0.690298480
5 BD(1)C2-C3 9, 10 1.976377329 - -0.577721041
6 BD(2)C2-C3 11, 12 1.866291165 - -0.120702675
7 BD(1)C2-H13 13, 14 1.975647791 - -0.377049616
8 BD(1)C3-C4 15, 16 1.969045702 - -0.522191330
9 BD(1)C3-H12 17, 18 1.977101672 - -0.368199106
10 BD(1)C4-C5 19, 20 1.970710930 - -0.525981818
11 BD(1)C4-C9 21, 22 1.981024943 - -0.537526590
12 BD(1)C5-C6 23, 24 1.977427787 - -0.578788206
13 BD(2)C5-C6 25, 26 1.868874242 - -0.120991532
14 BD(1)C5-H8 27, 28 1.976057860 - -0.376886589
15 BD(1)C6-H7 29, 30 1.976271909 - -0.371541921
16 BD(1)C9-O10 31, 32 1.995266909 - -0.880529643
17 BD(2)C9-O10 33, 34 1.987534550 - -0.213001083
18 BD(1)C9-H11 35, 36 1.983805781 - -0.370622828
19 BD(1)O15-C16 37, 38 1.989771903 - -0.779452013
20 BD(1)C16-C17 39, 40 1.976526306 - -0.598245240
21 BD(2)C16-C17 41, 42 1.643948870 - -0.149518032
22 BD(1)C16-C21 43, 44 1.972732038 - -0.589893628
23 BD(1)C17-C18 45, 46 1.970312906 - -0.595270416
24 BD(1)C17-H30 47, 48 1.975478080 - -0.406928066
25 BD(1)C18-C19 49, 50 1.977352565 - -0.616897536
26 BD(2)C18-C19 51, 52 1.702171696 - -0.167993199
27 BD(1)C18-H29 53, 54 1.975605982 - -0.429407532
28 BD(1)C19-C20 55, 56 1.971555318 - -0.605509208
29 BD(1)C19-O24 57, 58 1.990711623 - -0.791704797
30 BD(1)C20-C21 59, 60 1.973846737 - -0.605942360
31 BD(2)C20-C21 61, 62 1.734218476 - -0.158641568
32 BD(1)C20-H23 63, 64 1.976675191 - -0.423831984
33 BD(1)C21-H22 65, 66 1.977183263 - -0.414623255
34 BD(1)O24-C25 67, 68 1.993512117 - -0.749404701
35 BD(1)C25-H26 69, 70 1.994875522 - -0.457240420
36 BD(1)C25-H27 71, 72 1.991409636 - -0.456744513
37 BD(1)C25-H28 73, 74 1.994839543 - -0.457012746
38 CR(1)C1 75 1.998658221 - -10.046707059
39 CR(1)C2 76 1.998977892 - -9.880861586
40 CR(1)C3 77 1.999065418 - -9.885561822
41 CR(1)C4 78 1.998958811 - -9.869723486
42 CR(1)C5 79 1.999079448 - -9.889563791
43 CR(1)C6 80 1.998988910 - -9.876279333
44 CR(1)C9 81 1.999240386 - -9.964949561
45 CR(1)O10 82 1.999775568 - -18.700610626
46 CR(1)F14 83 1.999956033 - -24.244264409
47 CR(1)O15 84 1.999674292 - -18.819406185
48 CR(1)C16 85 1.998757828 - -9.991497814
49 CR(1)C17 86 1.999050580 - -9.922530995
50 CR(1)C18 87 1.999047619 - -9.934774577
51 CR(1)C19 88 1.998723001 - -10.002242375
52 CR(1)C20 89 1.999053810 - -9.931653629
53 CR(1)C21 90 1.999068546 - -9.928032407
54 CR(1)O24 91 1.999718770 - -18.871098845
55 CR(1)C25 92 1.999260126 - -10.026952602
56 LP(1)C4 93 1.196211773 - 0.040543641
57 LP(1)O10 94 1.984317528 - -0.538140779
58 LP(2)O10 95 1.884775621 - -0.107681529
59 LP(1)F14 96 1.989854079 - -0.921645325
60 LP(2)F14 97 1.972048273 - -0.234802062
61 LP(3)F14 98 1.969114845 - -0.247250057
62 LP(1)O15 99 1.951260560 - -0.409864245
63 LP(2)O15 100 1.837915494 - -0.194236387
64 LP(1)O24 101 1.964599257 - -0.466931346
65 LP(2)O24 102 1.865743423 - -0.231117601
66 RY*(1)C1 103 0.008808490 - 1.189875166
67 RY*(2)C1 104 0.008019186 - 1.270207015
68 RY*(3)C1 105 0.005886234 - 1.660260308
69 RY*(4)C1 106 0.004512059 - 1.239143711
70 RY*(5)C1 107 0.001981315 - 1.817875961
71 RY*(6)C1 108 0.001589349 - 1.696557022
72 RY*(7)C1 109 0.001161122 - 1.831742693
73 RY*(8)C1 110 0.000613028 - 2.901520818
74 RY*(9)C1 111 0.000441169 - 2.992636420
75 RY*(10)C1 112 0.000312327 - 2.503083381
76 RY*(11)C1 113 0.000197164 - 2.705924689
77 RY*(12)C1 114 0.000155228 - 2.209054703
78 RY*(13)C1 115 0.000117534 - 1.987977131
79 RY*(14)C1 116 0.000083459 - 1.372266070
80 RY*(15)C1 117 0.000061968 - 3.617900873
81 RY*(16)C1 118 0.000036412 - 2.944159532
82 RY*(17)C1 119 0.000010194 - 2.593274904
83 RY*(18)C1 120 0.000014050 - 3.955727148
84 RY*(19)C1 121 0.000014722 - 2.392229137
85 RY*(20)C1 122 0.000016542 - 2.958075587
86 RY*(21)C1 123 0.000003135 - 20.147595541
87 RY*(22)C1 124 0.000012619 - 2.911664219
88 RY*(1)C2 125 0.004982501 - 1.327859604
89 RY*(2)C2 126 0.002852109 - 0.871312354
90 RY*(3)C2 127 0.001718463 - 1.496466701
91 RY*(4)C2 128 0.001019038 - 1.321348116
92 RY*(5)C2 129 0.000445252 - 1.474086350
93 RY*(6)C2 130 0.000283355 - 1.743520206
94 RY*(7)C2 131 0.000218227 - 1.478453727
95 RY*(8)C2 132 0.000184682 - 2.295787632
96 RY*(9)C2 133 0.000157550 - 2.376485617
97 RY*(10)C2 134 0.000132048 - 3.135248147
98 RY*(11)C2 135 0.000124425 - 2.277344070
99 RY*(12)C2 136 0.000095265 - 2.919615886
100 RY*(13)C2 137 0.000072521 - 1.371728529
101 RY*(14)C2 138 0.000048854 - 2.974161913
102 RY*(15)C2 139 0.000041320 - 3.423440782
103 RY*(16)C2 140 0.000028063 - 1.586383584
104 RY*(17)C2 141 0.000008372 - 2.698857768
105 RY*(18)C2 142 0.000013635 - 3.167797756
106 RY*(19)C2 143 0.000004225 - 18.739378051
107 RY*(20)C2 144 0.000001671 - 3.486794227
108 RY*(21)C2 145 0.000007863 - 3.100543695
109 RY*(22)C2 146 0.000002065 - 3.440752851
110 RY*(1)C3 147 0.006281298 - 1.505860931
111 RY*(2)C3 148 0.003753829 - 1.194916638
112 RY*(3)C3 149 0.001101561 - 1.599686876
113 RY*(4)C3 150 0.000963016 - 1.719022841
114 RY*(5)C3 151 0.000555215 - 2.524752284
115 RY*(6)C3 152 0.000504832 - 1.497252936
116 RY*(7)C3 153 0.000358498 - 2.075866571
117 RY*(8)C3 154 0.000208446 - 1.531997080
118 RY*(9)C3 155 0.000141993 - 2.450999730
119 RY*(10)C3 156 0.000087882 - 2.406833123
120 RY*(11)C3 157 0.000065468 - 2.276533049
121 RY*(12)C3 158 0.000055158 - 2.161647694
122 RY*(13)C3 159 0.000026947 - 2.832252423
123 RY*(14)C3 160 0.000018900 - 3.528842359
124 RY*(15)C3 161 0.000006832 - 2.140428013
125 RY*(16)C3 162 0.000011347 - 1.323445720
126 RY*(17)C3 163 0.000009468 - 1.613327755
127 RY*(18)C3 164 0.000004148 - 3.354529997
128 RY*(19)C3 165 0.000006854 - 3.009766085
129 RY*(20)C3 166 0.000006118 - 19.282845744
130 RY*(21)C3 167 0.000008306 - 2.675943447
131 RY*(22)C3 168 0.000001996 - 3.518186179
132 RY*(1)C4 169 0.007060084 - 1.630340281
133 RY*(2)C4 170 0.003478821 - 0.652057046
134 RY*(3)C4 171 0.003460213 - 1.619508289
135 RY*(4)C4 172 0.001233673 - 1.287382554
136 RY*(5)C4 173 0.000641346 - 2.794921679
137 RY*(6)C4 174 0.000536885 - 2.908686350
138 RY*(7)C4 175 0.000306260 - 3.378383866
139 RY*(8)C4 176 0.000256990 - 2.431289871
140 RY*(9)C4 177 0.000154190 - 2.105979389
141 RY*(10)C4 178 0.000117153 - 4.097385557
142 RY*(11)C4 179 0.000098142 - 1.568150541
143 RY*(12)C4 180 0.000084645 - 2.740724479
144 RY*(13)C4 181 0.000028440 - 3.855558666
145 RY*(14)C4 182 0.000029186 - 2.383847220
146 RY*(15)C4 183 0.000031147 - 4.017066520
147 RY*(16)C4 184 0.000005252 - 1.682940571
148 RY*(17)C4 185 0.000000944 - 1.835109328
149 RY*(18)C4 186 0.000002375 - 2.909291853
150 RY*(19)C4 187 0.000002213 - 17.303586288
151 RY*(20)C4 188 0.000006097 - 1.048600827
152 RY*(21)C4 189 0.000006963 - 1.355457239
153 RY*(22)C4 190 0.000002427 - 3.678582710
154 RY*(1)C5 191 0.006788659 - 1.449102677
155 RY*(2)C5 192 0.002717254 - 1.119128776
156 RY*(3)C5 193 0.001458653 - 1.212147935
157 RY*(4)C5 194 0.000753384 - 2.078344665
158 RY*(5)C5 195 0.000622146 - 2.090835273
159 RY*(6)C5 196 0.000527315 - 1.672096038
160 RY*(7)C5 197 0.000249599 - 2.293430922
161 RY*(8)C5 198 0.000191846 - 1.337375932
162 RY*(9)C5 199 0.000138420 - 2.956176397
163 RY*(10)C5 200 0.000109246 - 1.254731079
164 RY*(11)C5 201 0.000081736 - 1.573744161
165 RY*(12)C5 202 0.000055828 - 2.496385515
166 RY*(13)C5 203 0.000034151 - 2.336600927
167 RY*(14)C5 204 0.000021770 - 4.356368904
168 RY*(15)C5 205 0.000004824 - 17.685123406
169 RY*(16)C5 206 0.000002538 - 3.103680581
170 RY*(17)C5 207 0.000006058 - 1.092279755
171 RY*(18)C5 208 0.000010976 - 2.729812121
172 RY*(19)C5 209 0.000012369 - 2.786512898
173 RY*(20)C5 210 0.000001529 - 2.996069974
174 RY*(21)C5 211 0.000010454 - 3.708093868
175 RY*(22)C5 212 0.000002833 - 3.573615874
176 RY*(1)C6 213 0.005788486 - 1.346421819
177 RY*(2)C6 214 0.004119002 - 0.706921682
178 RY*(3)C6 215 0.002884059 - 1.265799178
179 RY*(4)C6 216 0.000849497 - 1.441923907
180 RY*(5)C6 217 0.000455382 - 2.082405008
181 RY*(6)C6 218 0.000401680 - 1.531982216
182 RY*(7)C6 219 0.000307651 - 1.954879290
183 RY*(8)C6 220 0.000204470 - 1.867106919
184 RY*(9)C6 221 0.000168256 - 1.758658969
185 RY*(10)C6 222 0.000130242 - 2.550749879
186 RY*(11)C6 223 0.000078130 - 2.632969424
187 RY*(12)C6 224 0.000050763 - 3.030683204
188 RY*(13)C6 225 0.000048845 - 3.125296181
189 RY*(14)C6 226 0.000030300 - 2.346125789
190 RY*(15)C6 227 0.000011189 - 2.819524152
191 RY*(16)C6 228 0.000015830 - 2.573972521
192 RY*(17)C6 229 0.000014438 - 1.569997836
193 RY*(18)C6 230 0.000000418 - 3.511855507
194 RY*(19)C6 231 0.000006412 - 2.819102163
195 RY*(20)C6 232 0.000002836 - 18.321787498
196 RY*(21)C6 233 0.000006216 - 3.074907449
197 RY*(22)C6 234 0.000003101 - 3.608302185
198 RY*(1)H7 235 0.001059193 - 1.578912045
199 RY*(2)H7 236 0.000308714 - 2.097480385
200 RY*(3)H7 237 0.000195643 - 2.099525551
201 RY*(4)H7 238 0.000052093 - 2.766079093
202 RY*(5)H7 239 0.000029081 - 2.744598678
203 RY*(1)H8 240 0.001610838 - 1.485506300
204 RY*(2)H8 241 0.000218747 - 2.056142191
205 RY*(3)H8 242 0.000176213 - 2.004548896
206 RY*(4)H8 243 0.000063849 - 2.813063279
207 RY*(5)H8 244 0.000036244 - 2.766569727
208 RY*(1)C9 245 0.012089519 - 1.328962657
209 RY*(2)C9 246 0.003801250 - 1.993774921
210 RY*(3)C9 247 0.002688602 - 1.720109447
211 RY*(4)C9 248 0.002639463 - 1.521204116
212 RY*(5)C9 249 0.000412961 - 1.034165679
213 RY*(6)C9 250 0.000337523 - 1.722665510
214 RY*(7)C9 251 0.000165897 - 5.387938003
215 RY*(8)C9 252 0.000083229 - 2.849291687
216 RY*(9)C9 253 0.000018244 - 10.724749829
217 RY*(10)C9 254 0.000011477 - 3.469049364
218 RY*(11)C9 255 0.000005772 - 2.247786381
219 RY*(12)C9 256 0.000010583 - 0.680653652
220 RY*(13)C9 257 0.000006760 - 1.212548347
221 RY*(14)C9 258 0.000009930 - 2.886889518
222 RY*(15)C9 259 0.000013165 - 3.708196049
223 RY*(16)C9 260 0.000000910 - 4.356494655
224 RY*(17)C9 261 0.000001681 - 3.631206818
225 RY*(18)C9 262 0.000006503 - 3.051197835
226 RY*(19)C9 263 0.000000977 - 4.719465298
227 RY*(20)C9 264 0.000001939 - 2.818049767
228 RY*(21)C9 265 0.000007186 - 2.709476158
229 RY*(22)C9 266 0.000000530 - 3.566352226
230 RY*(1)O10 267 0.004333232 - 0.933031577
231 RY*(2)O10 268 0.002297932 - 0.893292023
232 RY*(3)O10 269 0.000952798 - 0.945481000
233 RY*(4)O10 270 0.000121565 - 1.658633557
234 RY*(5)O10 271 0.000081334 - 2.559479803
235 RY*(6)O10 272 0.000051291 - 1.412670886
236 RY*(7)O10 273 0.000037297 - 2.238815189
237 RY*(8)O10 274 0.000018789 - 1.706451474
238 RY*(9)O10 275 0.000016509 - 1.661600294
239 RY*(10)O10 276 0.000000024 - 49.763957016
240 RY*(11)O10 277 0.000001138 - 1.245651141
241 RY*(12)O10 278 0.000000069 - 5.069645844
242 RY*(13)O10 279 0.000000938 - 5.163218118
243 RY*(14)O10 280 0.000000099 - 6.672629085
244 RY*(15)O10 281 0.000003935 - 1.806545716
245 RY*(16)O10 282 0.000000071 - 6.858994205
246 RY*(17)O10 283 0.000004973 - 1.700887117
247 RY*(18)O10 284 0.000000199 - 6.675553271
248 RY*(19)O10 285 0.000004127 - 1.220193150
249 RY*(20)O10 286 0.000000109 - 7.026536896
250 RY*(21)O10 287 0.000003621 - 4.781723876
251 RY*(22)O10 288 0.000000155 - 6.935743063
252 RY*(1)H11 289 0.003880612 - 0.627778474
253 RY*(2)H11 290 0.000144279 - 2.323701425
254 RY*(3)H11 291 0.000131728 - 1.846567144
255 RY*(4)H11 292 0.000100243 - 2.365099791
256 RY*(5)H11 293 0.000036393 - 2.845781369
257 RY*(1)H12 294 0.003458656 - 0.594449765
258 RY*(2)H12 295 0.000234777 - 2.493488202
259 RY*(3)H12 296 0.000202426 - 2.078404880
260 RY*(4)H12 297 0.000053017 - 3.030241424
261 RY*(5)H12 298 0.000046077 - 2.751023150
262 RY*(1)H13 299 0.001013124 - 1.470451280
263 RY*(2)H13 300 0.000301288 - 2.099181089
264 RY*(3)H13 301 0.000192143 - 2.072996661
265 RY*(4)H13 302 0.000056918 - 2.971231775
266 RY*(5)H13 303 0.000033420 - 2.730361279
267 RY*(1)F14 304 0.002078880 - 0.550964250
268 RY*(2)F14 305 0.001582952 - 0.818602057
269 RY*(3)F14 306 0.000760464 - 0.760175564
270 RY*(4)F14 307 0.000500063 - 1.634056127
271 RY*(5)F14 308 0.000069033 - 2.728061551
272 RY*(6)F14 309 0.000053920 - 2.641010638
273 RY*(7)F14 310 0.000047575 - 1.941262139
274 RY*(8)F14 311 0.000043077 - 2.809828381
275 RY*(9)F14 312 0.000025068 - 2.702286710
276 RY*(10)F14 313 0.000023372 - 2.544207872
277 RY*(11)F14 314 0.000011706 - 2.101932315
278 RY*(12)F14 315 0.000002034 - 6.107967236
279 RY*(13)F14 316 0.000005840 - 2.637863973
280 RY*(14)F14 317 0.000000440 - 9.201040643
281 RY*(15)F14 318 0.000000451 - 6.316249537
282 RY*(16)F14 319 0.000000212 - 9.010561263
283 RY*(17)F14 320 0.000000029 - 66.821848787
284 RY*(18)F14 321 0.000000319 - 9.310319010
285 RY*(19)F14 322 0.000006981 - 2.416428057
286 RY*(20)F14 323 0.000000338 - 9.192738179
287 RY*(21)F14 324 0.000001345 - 6.440306836
288 RY*(22)F14 325 0.000002017 - 9.293106973
289 RY*(1)O15 326 0.006178547 - 0.773962712
290 RY*(2)O15 327 0.005059754 - 0.817952683
291 RY*(3)O15 328 0.002103564 - 0.999019046
292 RY*(4)O15 329 0.001264898 - 1.406861023
293 RY*(5)O15 330 0.000662367 - 1.915610427
294 RY*(6)O15 331 0.000402147 - 2.448227128
295 RY*(7)O15 332 0.000396160 - 1.650822119
296 RY*(8)O15 333 0.000232981 - 2.158389428
297 RY*(9)O15 334 0.000186527 - 2.445464724
298 RY*(10)O15 335 0.000101782 - 2.655986514
299 RY*(11)O15 336 0.000077931 - 1.969794531
300 RY*(12)O15 337 0.000051536 - 3.106209112
301 RY*(13)O15 338 0.000040829 - 4.756390838
302 RY*(14)O15 339 0.000009222 - 6.702330327
303 RY*(15)O15 340 0.000014382 - 5.053978597
304 RY*(16)O15 341 0.000017199 - 2.124636160
305 RY*(17)O15 342 0.000000135 - 49.296509764
306 RY*(18)O15 343 0.000001662 - 6.621121868
307 RY*(19)O15 344 0.000006788 - 5.971496611
308 RY*(20)O15 345 0.000002393 - 6.503828545
309 RY*(21)O15 346 0.000008479 - 4.930075975
310 RY*(22)O15 347 0.000001758 - 6.396203205
311 RY*(1)C16 348 0.007576536 - 1.397152366
312 RY*(2)C16 349 0.004179310 - 1.641110972
313 RY*(3)C16 350 0.001890952 - 1.773820913
314 RY*(4)C16 351 0.001520035 - 1.713257029
315 RY*(5)C16 352 0.001124093 - 1.494351352
316 RY*(6)C16 353 0.000774885 - 2.802195953
317 RY*(7)C16 354 0.000596775 - 2.654503253
318 RY*(8)C16 355 0.000448877 - 2.959436382
319 RY*(9)C16 356 0.000369860 - 2.708090321
320 RY*(10)C16 357 0.000271223 - 2.440888017
321 RY*(11)C16 358 0.000117895 - 1.944788368
322 RY*(12)C16 359 0.000113995 - 2.387289829
323 RY*(13)C16 360 0.000080940 - 2.786751232
324 RY*(14)C16 361 0.000053674 - 2.826572898
325 RY*(15)C16 362 0.000039293 - 1.830274539
326 RY*(16)C16 363 0.000016103 - 3.972466543
327 RY*(17)C16 364 0.000018076 - 1.487114513
328 RY*(18)C16 365 0.000003763 - 17.871153359
329 RY*(19)C16 366 0.000007259 - 1.681065449
330 RY*(20)C16 367 0.000009801 - 2.826325621
331 RY*(21)C16 368 0.000013147 - 3.142103402
332 RY*(22)C16 369 0.000008904 - 2.978563967
333 RY*(1)C17 370 0.005318398 - 1.407372343
334 RY*(2)C17 371 0.002455329 - 1.462857428
335 RY*(3)C17 372 0.001242961 - 0.658865798
336 RY*(4)C17 373 0.000792951 - 2.033259555
337 RY*(5)C17 374 0.000613610 - 2.228963466
338 RY*(6)C17 375 0.000511951 - 1.679583673
339 RY*(7)C17 376 0.000339225 - 1.872213536
340 RY*(8)C17 377 0.000271633 - 1.323048208
341 RY*(9)C17 378 0.000201586 - 1.337535499
342 RY*(10)C17 379 0.000121576 - 1.743760607
343 RY*(11)C17 380 0.000106543 - 3.198155379
344 RY*(12)C17 381 0.000071716 - 2.239717633
345 RY*(13)C17 382 0.000077191 - 3.578672004
346 RY*(14)C17 383 0.000045428 - 1.781867602
347 RY*(15)C17 384 0.000047164 - 2.467492783
348 RY*(16)C17 385 0.000018555 - 3.482332013
349 RY*(17)C17 386 0.000017923 - 2.305886905
350 RY*(18)C17 387 0.000017618 - 3.826594915
351 RY*(19)C17 388 0.000002873 - 17.566409522
352 RY*(20)C17 389 0.000002258 - 3.566055309
353 RY*(21)C17 390 0.000007978 - 3.346203069
354 RY*(22)C17 391 0.000002117 - 3.573488286
355 RY*(1)C18 392 0.004567908 - 1.439775917
356 RY*(2)C18 393 0.001601864 - 1.744558563
357 RY*(3)C18 394 0.001322736 - 0.521330749
358 RY*(4)C18 395 0.000787119 - 2.098857519
359 RY*(5)C18 396 0.000559734 - 2.199939668
360 RY*(6)C18 397 0.000336548 - 1.731332184
361 RY*(7)C18 398 0.000260911 - 1.679478360
362 RY*(8)C18 399 0.000213848 - 1.602868511
363 RY*(9)C18 400 0.000186223 - 0.881205133
364 RY*(10)C18 401 0.000079751 - 2.571446205
365 RY*(11)C18 402 0.000081445 - 2.715037872
366 RY*(12)C18 403 0.000065184 - 1.957577846
367 RY*(13)C18 404 0.000045793 - 4.341950952
368 RY*(14)C18 405 0.000018397 - 3.160721171
369 RY*(15)C18 406 0.000027410 - 2.458189113
370 RY*(16)C18 407 0.000019413 - 3.307989555
371 RY*(17)C18 408 0.000017741 - 2.479921624
372 RY*(18)C18 409 0.000002328 - 3.490036502
373 RY*(19)C18 410 0.000004100 - 16.359623947
374 RY*(20)C18 411 0.000004571 - 3.097469692
375 RY*(21)C18 412 0.000002674 - 3.305422283
376 RY*(22)C18 413 0.000008423 - 2.758412011
377 RY*(1)C19 414 0.006447307 - 1.434441478
378 RY*(2)C19 415 0.004278967 - 1.589074571
379 RY*(3)C19 416 0.001572164 - 1.819894387
380 RY*(4)C19 417 0.001256549 - 1.991248317
381 RY*(5)C19 418 0.000734487 - 2.510841368
382 RY*(6)C19 419 0.000586265 - 2.615888800
383 RY*(7)C19 420 0.000565142 - 1.989251147
384 RY*(8)C19 421 0.000502048 - 2.914423194
385 RY*(9)C19 422 0.000336701 - 1.905811614
386 RY*(10)C19 423 0.000101809 - 2.054542279
387 RY*(11)C19 424 0.000101907 - 3.224806887
388 RY*(12)C19 425 0.000092295 - 2.930092791
389 RY*(13)C19 426 0.000070268 - 4.821918209
390 RY*(14)C19 427 0.000034788 - 4.094764809
391 RY*(15)C19 428 0.000029420 - 1.108148531
392 RY*(16)C19 429 0.000016185 - 2.422722876
393 RY*(17)C19 430 0.000002014 - 1.626073847
394 RY*(18)C19 431 0.000003987 - 2.434551159
395 RY*(19)C19 432 0.000001987 - 2.604162481
396 RY*(20)C19 433 0.000011842 - 3.531784738
397 RY*(21)C19 434 0.000002981 - 13.470067861
398 RY*(22)C19 435 0.000001204 - 2.889823659
399 RY*(1)C20 436 0.005764708 - 1.443057647
400 RY*(2)C20 437 0.002593951 - 1.251329205
401 RY*(3)C20 438 0.001111016 - 0.768747210
402 RY*(4)C20 439 0.000833782 - 2.101408347
403 RY*(5)C20 440 0.000455449 - 2.152077096
404 RY*(6)C20 441 0.000319026 - 2.746039469
405 RY*(7)C20 442 0.000187030 - 2.445134602
406 RY*(8)C20 443 0.000127646 - 1.759517898
407 RY*(9)C20 444 0.000124815 - 2.011185742
408 RY*(10)C20 445 0.000104010 - 1.856896480
409 RY*(11)C20 446 0.000051164 - 3.068593003
410 RY*(12)C20 447 0.000028763 - 2.889881507
411 RY*(13)C20 448 0.000026334 - 1.723796686
412 RY*(14)C20 449 0.000025648 - 1.428207065
413 RY*(15)C20 450 0.000017734 - 1.727103710
414 RY*(16)C20 451 0.000001921 - 3.031062157
415 RY*(17)C20 452 0.000004128 - 18.831224102
416 RY*(18)C20 453 0.000002095 - 3.136595601
417 RY*(19)C20 454 0.000003572 - 2.714329500
418 RY*(20)C20 455 0.000001823 - 2.190126762
419 RY*(21)C20 456 0.000008880 - 3.138569730
420 RY*(22)C20 457 0.000008464 - 2.803829710
421 RY*(1)C21 458 0.005561063 - 1.459706997
422 RY*(2)C21 459 0.002692568 - 1.222392071
423 RY*(3)C21 460 0.000922470 - 0.795319396
424 RY*(4)C21 461 0.000775215 - 1.955682426
425 RY*(5)C21 462 0.000503503 - 2.362474689
426 RY*(6)C21 463 0.000348085 - 2.236653675
427 RY*(7)C21 464 0.000290000 - 1.929013514
428 RY*(8)C21 465 0.000210754 - 1.980333939
429 RY*(9)C21 466 0.000118148 - 1.949665214
430 RY*(10)C21 467 0.000098017 - 2.532567358
431 RY*(11)C21 468 0.000044886 - 3.240555919
432 RY*(12)C21 469 0.000033820 - 2.133401724
433 RY*(13)C21 470 0.000039316 - 3.029732022
434 RY*(14)C21 471 0.000016080 - 1.239327939
435 RY*(15)C21 472 0.000022793 - 2.162180215
436 RY*(16)C21 473 0.000009466 - 3.094764189
437 RY*(17)C21 474 0.000009793 - 2.531440610
438 RY*(18)C21 475 0.000003695 - 3.457187017
439 RY*(19)C21 476 0.000007648 - 2.897031810
440 RY*(20)C21 477 0.000004914 - 3.053586997
441 RY*(21)C21 478 0.000002858 - 17.347687741
442 RY*(22)C21 479 0.000010496 - 2.908745776
443 RY*(1)H22 480 0.000842069 - 1.546823559
444 RY*(2)H22 481 0.000208409 - 2.044906772
445 RY*(3)H22 482 0.000171406 - 1.958173571
446 RY*(4)H22 483 0.000041055 - 2.821656380
447 RY*(5)H22 484 0.000050202 - 2.748463995
448 RY*(1)H23 485 0.000944421 - 1.538664227
449 RY*(2)H23 486 0.000220307 - 2.046755239
450 RY*(3)H23 487 0.000162418 - 1.909661440
451 RY*(4)H23 488 0.000040376 - 2.764438030
452 RY*(5)H23 489 0.000049334 - 2.753986847
453 RY*(1)O24 490 0.004624450 - 0.795191634
454 RY*(2)O24 491 0.003511745 - 0.907892875
455 RY*(3)O24 492 0.001057822 - 1.459879254
456 RY*(4)O24 493 0.000675573 - 0.948478493
457 RY*(5)O24 494 0.000302870 - 1.900225200
458 RY*(6)O24 495 0.000235715 - 2.090337641
459 RY*(7)O24 496 0.000164346 - 1.717116920
460 RY*(8)O24 497 0.000128326 - 3.081011740
461 RY*(9)O24 498 0.000051897 - 3.451981627
462 RY*(10)O24 499 0.000044077 - 2.240093141
463 RY*(11)O24 500 0.000029259 - 2.827434909
464 RY*(12)O24 501 0.000003049 - 4.989081094
465 RY*(13)O24 502 0.000001030 - 4.972085956
466 RY*(14)O24 503 0.000002021 - 6.273869554
467 RY*(15)O24 504 0.000000051 - 49.284061154
468 RY*(16)O24 505 0.000003529 - 6.415453987
469 RY*(17)O24 506 0.000007447 - 1.930150177
470 RY*(18)O24 507 0.000001570 - 6.633927907
471 RY*(19)O24 508 0.000005420 - 2.123391637
472 RY*(20)O24 509 0.000001661 - 4.545412525
473 RY*(21)O24 510 0.000008432 - 3.244673429
474 RY*(22)O24 511 0.000002042 - 6.215512548
475 RY*(1)C25 512 0.002673773 - 1.237603530
476 RY*(2)C25 513 0.002237828 - 1.607363646
477 RY*(3)C25 514 0.001660734 - 0.929587657
478 RY*(4)C25 515 0.000415467 - 1.793779691
479 RY*(5)C25 516 0.000370545 - 0.718457444
480 RY*(6)C25 517 0.000160044 - 1.468132479
481 RY*(7)C25 518 0.000049492 - 2.874298486
482 RY*(8)C25 519 0.000010741 - 0.774810227
483 RY*(9)C25 520 0.000004806 - 2.378410552
484 RY*(10)C25 521 0.000000202 - 22.747854796
485 RY*(11)C25 522 0.000003200 - 1.531279842
486 RY*(12)C25 523 0.000004427 - 1.969619768
487 RY*(13)C25 524 0.000003133 - 2.089979996
488 RY*(14)C25 525 0.000006620 - 2.782614098
489 RY*(15)C25 526 0.000004325 - 1.693032445
490 RY*(16)C25 527 0.000005857 - 3.042464591
491 RY*(17)C25 528 0.000004473 - 1.815535316
492 RY*(18)C25 529 0.000001926 - 2.551738256
493 RY*(19)C25 530 0.000006234 - 2.519616683
494 RY*(20)C25 531 0.000007630 - 2.775238189
495 RY*(21)C25 532 0.000002133 - 2.228800773
496 RY*(22)C25 533 0.000003162 - 2.735717553
497 RY*(1)H26 534 0.002105545 - 0.634841005
498 RY*(2)H26 535 0.000218427 - 2.159518585
499 RY*(3)H26 536 0.000107487 - 2.004851793
500 RY*(4)H26 537 0.000082465 - 2.054193146
501 RY*(5)H26 538 0.000039494 - 2.911356687
502 RY*(1)H27 539 0.000489156 - 0.642492419
503 RY*(2)H27 540 0.000161150 - 2.161302235
504 RY*(3)H27 541 0.000135948 - 1.881713872
505 RY*(4)H27 542 0.000057199 - 2.137084572
506 RY*(5)H27 543 0.000019362 - 2.781490032
507 RY*(1)H28 544 0.002120664 - 0.635229339
508 RY*(2)H28 545 0.000219089 - 2.160926152
509 RY*(3)H28 546 0.000107329 - 1.998295899
510 RY*(4)H28 547 0.000081970 - 2.059797834
511 RY*(5)H28 548 0.000039400 - 2.912978860
512 RY*(1)H29 549 0.000895900 - 1.302226256
513 RY*(2)H29 550 0.000251911 - 2.046916994
514 RY*(3)H29 551 0.000146086 - 1.998970994
515 RY*(4)H29 552 0.000057306 - 2.951505255
516 RY*(5)H29 553 0.000036402 - 2.741921282
517 RY*(1)H30 554 0.001380550 - 1.567385800
518 RY*(2)H30 555 0.000202668 - 2.100178723
519 RY*(3)H30 556 0.000138955 - 2.174320872
520 RY*(4)H30 557 0.000056555 - 2.729697276
521 RY*(5)H30 558 0.000048624 - 2.787021198
522 BD*(1)C1-C2 0.037469247 - 0.589657389
523 BD*(1)C1-C6 0.029365328 - 0.598838722
524 BD*(1)C1-F14 0.238141149 - 0.252768482
525 BD*(1)C1-O15 0.111594079 - 0.379759964
526 BD*(1)C2-C3 0.012970991 - 0.762003197
527 BD*(2)C2-C3 0.233571407 - 0.183125479
528 BD*(1)C2-H13 0.015576026 - 0.574311858
529 BD*(1)C3-C4 0.027701344 - 0.690659231
530 BD*(1)C3-H12 0.016053408 - 0.581785917
531 BD*(1)C4-C5 0.023548056 - 0.691551995
532 BD*(1)C4-C9 0.048034822 - 0.676983559
533 BD*(1)C5-C6 0.012916989 - 0.759705990
534 BD*(2)C5-C6 0.264618995 - 0.181311855
535 BD*(1)C5-H8 0.016707732 - 0.564097554
536 BD*(1)C6-H7 0.014863617 - 0.569650752
537 BD*(1)C9-O10 0.005541580 - 0.722414175
538 BD*(2)C9-O10 0.319309699 - 0.150904138
539 BD*(1)C9-H11 0.073430853 - 0.493008229
540 BD*(1)O15-C16 0.032800107 - 0.485657800
541 BD*(1)C16-C17 0.030294597 - 0.670730152
542 BD*(2)C16-C17 0.364792937 - 0.135811782
543 BD*(1)C16-C21 0.023816435 - 0.657827408
544 BD*(1)C17-C18 0.014196285 - 0.672917456
545 BD*(1)C17-H30 0.015605149 - 0.559079571
546 BD*(1)C18-C19 0.028689693 - 0.663555893
547 BD*(2)C18-C19 0.409223404 - 0.119195197
548 BD*(1)C18-H29 0.014700961 - 0.523616915
549 BD*(1)C19-C20 0.022896797 - 0.659758367
550 BD*(1)C19-O24 0.032713169 - 0.426887845
551 BD*(1)C20-C21 0.011966727 - 0.681645519
552 BD*(2)C20-C21 0.339531741 - 0.127868432
553 BD*(1)C20-H23 0.013564516 - 0.519896832
554 BD*(1)C21-H22 0.012952880 - 0.531113524
555 BD*(1)O24-C25 0.008572082 - 0.371187834
556 BD*(1)C25-H26 0.022632737 - 0.441609276
557 BD*(1)C25-H27 0.010256871 - 0.456834801
558 BD*(1)C25-H28 0.022456943 - 0.442424607

Quote

EXPERIENCE IS A WONDERFUL THING. IT ENABLES YOU TO RECOGNIZE A MISTAKE WHEN YOU MAKE IT AGAIN. - BACK OF A SUGAR PACKET