WebMO Job Summary

385356: C13H16O3, Natural Bond Orbitals - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)
Method B3LYP
Stoichiometry C13H16O3
Symmetry C1
Basis 6-311+G(2d,p)
RB3LYP Energy -730.903532091 Hartree
Dipole Moment 3.6254 Debye
Server class (386939)
CPU time 1779.6 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 1.2272280 0.04093591974
b 0.2365324 0.00788987160
c 0.2088107 0.00696517522

Partial Charges

Atom Symbol Charge
1 C -0.070285  
2 C -0.107758  
3 O -0.459241  
4 C 0.855849  
5 C 0.244180  
6 C -0.190791  
7 C -0.081504  
8 C -0.267708  
9 C -0.759761  
10 H 0.101409  
11 H 0.085844  
12 H 0.089831  
13 H 0.089144  
14 H 0.123100  
15 C -0.225989  
16 C 0.067637  
17 C -0.402929  
18 H 0.118409  
19 H 0.133609  
20 H 0.139375  
21 O -0.326493  
22 C 0.077673  
23 C 0.051936  
24 O -0.296235  
25 H 0.113036  
26 H 0.109784  
27 H 0.101861  
28 H 0.108252  
29 H 0.139614  
30 H 0.139746  
31 H 0.149031  
32 H 0.149371  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -19.13904
2 - 2 - -19.13313
3 - 2 - -19.11146
4 - 2 - -10.2792
5 - 2 - -10.26195
6 - 2 - -10.23003
7 - 2 - -10.22852
8 - 2 - -10.19065
9 - 2 - -10.18989
10 - 2 - -10.18926
11 - 2 - -10.18654
12 - 2 - -10.18464
13 - 2 - -10.1832
14 - 2 - -10.17696
15 - 2 - -10.16846
16 - 2 - -10.16183
17 - 2 - -1.09509
18 - 2 - -1.04632
19 - 2 - -1.00073
20 - 2 - -0.87298
21 - 2 - -0.81877
22 - 2 - -0.78257
23 - 2 - -0.76284
24 - 2 - -0.75706
25 - 2 - -0.7202
26 - 2 - -0.67553
27 - 2 - -0.64294
28 - 2 - -0.6303
29 - 2 - -0.61529
30 - 2 - -0.58003
31 - 2 - -0.55508
32 - 2 - -0.52905
33 - 2 - -0.51618
34 - 2 - -0.50362
35 - 2 - -0.48619
36 - 2 - -0.4765
37 - 2 - -0.46701
38 - 2 - -0.461
39 - 2 - -0.4543
40 - 2 - -0.4418
41 - 2 - -0.4363
42 - 2 - -0.42867
43 - 2 - -0.42683
44 - 2 - -0.41219
45 - 2 - -0.39749
46 - 2 - -0.39586
47 - 2 - -0.37658
48 - 2 - -0.37264
49 - 2 - -0.36907
50 - 2 - -0.36143
51 - 2 - -0.35555
52 - 2 - -0.35182
53 - 2 - -0.34807
54 - 2 - -0.34476
55 - 2 - -0.28185
56 - 2 - -0.27083
57 - 2 - -0.26765
58 - 2 - -0.26608
59 - 2 - -0.25775
60 - 0 - -0.06601
61 - 0 - -0.02497
62 - 0 - -0.00621
63 - 0 - 0.0042
64 - 0 - 0.01234
65 - 0 - 0.01545
66 - 0 - 0.02395
67 - 0 - 0.02554
68 - 0 - 0.02814
69 - 0 - 0.03987
70 - 0 - 0.04108
71 - 0 - 0.04215
72 - 0 - 0.04578
73 - 0 - 0.052
74 - 0 - 0.05291
75 - 0 - 0.06447
76 - 0 - 0.06578
77 - 0 - 0.06718
78 - 0 - 0.07506
79 - 0 - 0.08048
80 - 0 - 0.08384
81 - 0 - 0.08697
82 - 0 - 0.09131
83 - 0 - 0.0975
84 - 0 - 0.10017
85 - 0 - 0.10409
86 - 0 - 0.11785
87 - 0 - 0.12394
88 - 0 - 0.12899
89 - 0 - 0.12994
90 - 0 - 0.13411
91 - 0 - 0.13449
92 - 0 - 0.1405
93 - 0 - 0.14138
94 - 0 - 0.14862
95 - 0 - 0.15183
96 - 0 - 0.15309
97 - 0 - 0.15516
98 - 0 - 0.16009
99 - 0 - 0.16702
100 - 0 - 0.16915
101 - 0 - 0.17193
102 - 0 - 0.17469
103 - 0 - 0.17834
104 - 0 - 0.17987
105 - 0 - 0.18088
106 - 0 - 0.18892
107 - 0 - 0.19221
108 - 0 - 0.19497
109 - 0 - 0.19765
110 - 0 - 0.20107
111 - 0 - 0.20492
112 - 0 - 0.20729
113 - 0 - 0.20856
114 - 0 - 0.2148
115 - 0 - 0.2182
116 - 0 - 0.22427
117 - 0 - 0.22711
118 - 0 - 0.23153
119 - 0 - 0.23663
120 - 0 - 0.23917
121 - 0 - 0.2422
122 - 0 - 0.24632
123 - 0 - 0.2486
124 - 0 - 0.25339
125 - 0 - 0.26578
126 - 0 - 0.2694
127 - 0 - 0.27039
128 - 0 - 0.27418
129 - 0 - 0.27639
130 - 0 - 0.28089
131 - 0 - 0.28704
132 - 0 - 0.29429
133 - 0 - 0.29801
134 - 0 - 0.30085
135 - 0 - 0.3033
136 - 0 - 0.309
137 - 0 - 0.3168
138 - 0 - 0.31989
139 - 0 - 0.32833
140 - 0 - 0.33599
141 - 0 - 0.3388
142 - 0 - 0.3409
143 - 0 - 0.34392
144 - 0 - 0.34737
145 - 0 - 0.3559
146 - 0 - 0.3596
147 - 0 - 0.36397
148 - 0 - 0.36883
149 - 0 - 0.37584
150 - 0 - 0.38345
151 - 0 - 0.38913
152 - 0 - 0.40156
153 - 0 - 0.41763
154 - 0 - 0.42832
155 - 0 - 0.4413
156 - 0 - 0.44504
157 - 0 - 0.46106
158 - 0 - 0.46884
159 - 0 - 0.47056
160 - 0 - 0.47526
161 - 0 - 0.47916
162 - 0 - 0.48769
163 - 0 - 0.50059
164 - 0 - 0.50318
165 - 0 - 0.50951
166 - 0 - 0.51181
167 - 0 - 0.51988
168 - 0 - 0.52315
169 - 0 - 0.52803
170 - 0 - 0.53559
171 - 0 - 0.54348
172 - 0 - 0.54679
173 - 0 - 0.54907
174 - 0 - 0.55593
175 - 0 - 0.56914
176 - 0 - 0.57253
177 - 0 - 0.58004
178 - 0 - 0.59109
179 - 0 - 0.59616
180 - 0 - 0.60251
181 - 0 - 0.60732
182 - 0 - 0.60875
183 - 0 - 0.61836
184 - 0 - 0.62067
185 - 0 - 0.62603
186 - 0 - 0.62875
187 - 0 - 0.63454
188 - 0 - 0.63921
189 - 0 - 0.64454
190 - 0 - 0.65189
191 - 0 - 0.65402
192 - 0 - 0.6586
193 - 0 - 0.66886
194 - 0 - 0.66996
195 - 0 - 0.67564
196 - 0 - 0.67945
197 - 0 - 0.69195
198 - 0 - 0.69523
199 - 0 - 0.69945
200 - 0 - 0.70874
201 - 0 - 0.71738
202 - 0 - 0.72733
203 - 0 - 0.73027
204 - 0 - 0.734
205 - 0 - 0.73781
206 - 0 - 0.74423
207 - 0 - 0.75669
208 - 0 - 0.76021
209 - 0 - 0.76483
210 - 0 - 0.77823
211 - 0 - 0.78097
212 - 0 - 0.78344
213 - 0 - 0.79222
214 - 0 - 0.80419
215 - 0 - 0.80682
216 - 0 - 0.81705
217 - 0 - 0.82423
218 - 0 - 0.8332
219 - 0 - 0.84054
220 - 0 - 0.84378
221 - 0 - 0.85193
222 - 0 - 0.8598
223 - 0 - 0.86853
224 - 0 - 0.87681
225 - 0 - 0.90588
226 - 0 - 0.9127
227 - 0 - 0.92468
228 - 0 - 0.92937
229 - 0 - 0.94792
230 - 0 - 0.96544
231 - 0 - 0.97304
232 - 0 - 0.98057
233 - 0 - 0.9912
234 - 0 - 0.99586
235 - 0 - 1.01715
236 - 0 - 1.02047
237 - 0 - 1.03096
238 - 0 - 1.03992
239 - 0 - 1.05333
240 - 0 - 1.06546
241 - 0 - 1.07503
242 - 0 - 1.08088
243 - 0 - 1.09728
244 - 0 - 1.10644
245 - 0 - 1.11287
246 - 0 - 1.12878
247 - 0 - 1.13284
248 - 0 - 1.13642
249 - 0 - 1.14893
250 - 0 - 1.15642
251 - 0 - 1.17347
252 - 0 - 1.17803
253 - 0 - 1.18745
254 - 0 - 1.1886
255 - 0 - 1.2044
256 - 0 - 1.21753
257 - 0 - 1.2252
258 - 0 - 1.23176
259 - 0 - 1.23614
260 - 0 - 1.24104
261 - 0 - 1.24882
262 - 0 - 1.25905
263 - 0 - 1.26977
264 - 0 - 1.27801
265 - 0 - 1.29191
266 - 0 - 1.29572
267 - 0 - 1.30481
268 - 0 - 1.30595
269 - 0 - 1.30959
270 - 0 - 1.32174
271 - 0 - 1.32491
272 - 0 - 1.33248
273 - 0 - 1.34119
274 - 0 - 1.34419
275 - 0 - 1.35115
276 - 0 - 1.36951
277 - 0 - 1.37906
278 - 0 - 1.38913
279 - 0 - 1.39454
280 - 0 - 1.40952
281 - 0 - 1.42244
282 - 0 - 1.44992
283 - 0 - 1.4639
284 - 0 - 1.47364
285 - 0 - 1.47922
286 - 0 - 1.48451
287 - 0 - 1.50114
288 - 0 - 1.50829
289 - 0 - 1.52589
290 - 0 - 1.53805
291 - 0 - 1.56166
292 - 0 - 1.56488
293 - 0 - 1.57582
294 - 0 - 1.59703
295 - 0 - 1.6104
296 - 0 - 1.62432
297 - 0 - 1.63137
298 - 0 - 1.63633
299 - 0 - 1.64502
300 - 0 - 1.65017
301 - 0 - 1.6895
302 - 0 - 1.71655
303 - 0 - 1.71826
304 - 0 - 1.74122
305 - 0 - 1.75218
306 - 0 - 1.77003
307 - 0 - 1.77857
308 - 0 - 1.8016
309 - 0 - 1.81
310 - 0 - 1.81547
311 - 0 - 1.82904
312 - 0 - 1.83675
313 - 0 - 1.85549
314 - 0 - 1.86689
315 - 0 - 1.87573
316 - 0 - 1.89035
317 - 0 - 1.90628
318 - 0 - 1.95214
319 - 0 - 1.97227
320 - 0 - 1.97922
321 - 0 - 1.98791
322 - 0 - 2.00762
323 - 0 - 2.02391
324 - 0 - 2.04451
325 - 0 - 2.08318
326 - 0 - 2.10904
327 - 0 - 2.12335
328 - 0 - 2.15802
329 - 0 - 2.16768
330 - 0 - 2.19593
331 - 0 - 2.21558
332 - 0 - 2.22079
333 - 0 - 2.22655
334 - 0 - 2.23025
335 - 0 - 2.24123
336 - 0 - 2.25522
337 - 0 - 2.26361
338 - 0 - 2.26878
339 - 0 - 2.28866
340 - 0 - 2.31037
341 - 0 - 2.31728
342 - 0 - 2.3265
343 - 0 - 2.33934
344 - 0 - 2.34808
345 - 0 - 2.35306
346 - 0 - 2.37679
347 - 0 - 2.387
348 - 0 - 2.40281
349 - 0 - 2.41216
350 - 0 - 2.42588
351 - 0 - 2.45864
352 - 0 - 2.47258
353 - 0 - 2.48351
354 - 0 - 2.50385
355 - 0 - 2.51665
356 - 0 - 2.52769
357 - 0 - 2.56313
358 - 0 - 2.57594
359 - 0 - 2.61787
360 - 0 - 2.61979
361 - 0 - 2.63714
362 - 0 - 2.65337
363 - 0 - 2.66517
364 - 0 - 2.67443
365 - 0 - 2.68147
366 - 0 - 2.68571
367 - 0 - 2.72504
368 - 0 - 2.74121
369 - 0 - 2.7501
370 - 0 - 2.76268
371 - 0 - 2.76784
372 - 0 - 2.78381
373 - 0 - 2.79279
374 - 0 - 2.81042
375 - 0 - 2.82926
376 - 0 - 2.83198
377 - 0 - 2.84139
378 - 0 - 2.84267
379 - 0 - 2.87693
380 - 0 - 2.89489
381 - 0 - 2.89612
382 - 0 - 2.92786
383 - 0 - 2.94951
384 - 0 - 2.97253
385 - 0 - 2.97413
386 - 0 - 2.97712
387 - 0 - 3.01208
388 - 0 - 3.0331
389 - 0 - 3.06085
390 - 0 - 3.09007
391 - 0 - 3.11019
392 - 0 - 3.11183
393 - 0 - 3.12638
394 - 0 - 3.13001
395 - 0 - 3.13768
396 - 0 - 3.16472
397 - 0 - 3.19666
398 - 0 - 3.22259
399 - 0 - 3.25404
400 - 0 - 3.25662
401 - 0 - 3.27791
402 - 0 - 3.28501
403 - 0 - 3.2878
404 - 0 - 3.29589
405 - 0 - 3.30525
406 - 0 - 3.31032
407 - 0 - 3.31878
408 - 0 - 3.33132
409 - 0 - 3.34846
410 - 0 - 3.35592
411 - 0 - 3.36336
412 - 0 - 3.37631
413 - 0 - 3.39001
414 - 0 - 3.40279
415 - 0 - 3.41404
416 - 0 - 3.42353
417 - 0 - 3.44057
418 - 0 - 3.44249
419 - 0 - 3.46263
420 - 0 - 3.47627
421 - 0 - 3.48658
422 - 0 - 3.49543
423 - 0 - 3.5039
424 - 0 - 3.5118
425 - 0 - 3.5253
426 - 0 - 3.53114
427 - 0 - 3.54825
428 - 0 - 3.56399
429 - 0 - 3.56839
430 - 0 - 3.5689
431 - 0 - 3.57759
432 - 0 - 3.58686
433 - 0 - 3.59663
434 - 0 - 3.61205
435 - 0 - 3.62153
436 - 0 - 3.62878
437 - 0 - 3.6295
438 - 0 - 3.64322
439 - 0 - 3.64813
440 - 0 - 3.65225
441 - 0 - 3.66942
442 - 0 - 3.67361
443 - 0 - 3.69748
444 - 0 - 3.7077
445 - 0 - 3.71568
446 - 0 - 3.74391
447 - 0 - 3.75418
448 - 0 - 3.7645
449 - 0 - 3.77188
450 - 0 - 3.7752
451 - 0 - 3.78635
452 - 0 - 3.80643
453 - 0 - 3.82414
454 - 0 - 3.86749
455 - 0 - 3.87364
456 - 0 - 3.91375
457 - 0 - 3.92273
458 - 0 - 3.9338
459 - 0 - 3.94158
460 - 0 - 3.95128
461 - 0 - 3.9759
462 - 0 - 3.98744
463 - 0 - 4.03077
464 - 0 - 4.03577
465 - 0 - 4.07013
466 - 0 - 4.10361
467 - 0 - 4.11617
468 - 0 - 4.16639
469 - 0 - 4.18372
470 - 0 - 4.19608
471 - 0 - 4.22021
472 - 0 - 4.25121
473 - 0 - 4.25408
474 - 0 - 4.29346
475 - 0 - 4.30953
476 - 0 - 4.32274
477 - 0 - 4.38716
478 - 0 - 4.48844
479 - 0 - 4.50462
480 - 0 - 4.53435
481 - 0 - 4.58488
482 - 0 - 4.6227
483 - 0 - 4.68974
484 - 0 - 4.82867
485 - 0 - 4.93623
486 - 0 - 5.10509
487 - 0 - 5.18165
488 - 0 - 5.24362
489 - 0 - 5.29831
490 - 0 - 5.43814
491 - 0 - 5.45994
492 - 0 - 5.52459
493 - 0 - 5.54923
494 - 0 - 5.81721
495 - 0 - 6.06943
496 - 0 - 6.83501
497 - 0 - 6.91269
498 - 0 - 6.99007
499 - 0 - 7.06694
500 - 0 - 7.0861
501 - 0 - 7.11936
502 - 0 - 7.13211
503 - 0 - 7.15792
504 - 0 - 7.19424
505 - 0 - 7.24594
506 - 0 - 7.26438
507 - 0 - 7.31513
508 - 0 - 7.36637
509 - 0 - 7.52008
510 - 0 - 7.5529
511 - 0 - 23.67377
512 - 0 - 23.83627
513 - 0 - 23.9158
514 - 0 - 23.93826
515 - 0 - 23.99399
516 - 0 - 24.00183
517 - 0 - 24.01243
518 - 0 - 24.05472
519 - 0 - 24.10341
520 - 0 - 24.11752
521 - 0 - 24.13264
522 - 0 - 24.19368
523 - 0 - 24.22279
524 - 0 - 50.03134
525 - 0 - 50.0661
526 - 0 - 50.10659
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C -0.47892  
2 C 0.57961  
3 O -0.57240  
4 C -0.14839  
5 C -0.15108  
6 C -0.20293  
7 C -0.17921  
8 C -0.20652  
9 C -0.17333  
10 H 0.20763  
11 H 0.20698  
12 H 0.20654  
13 H 0.20807  
14 H 0.23036  
15 C -0.41072  
16 C 0.60966  
17 C -0.60117  
18 H 0.20361  
19 H 0.20811  
20 H 0.21210  
21 O -0.63181  
22 C -0.04324  
23 C -0.05055  
24 O -0.62072  
25 H 0.19017  
26 H 0.16378  
27 H 0.16149  
28 H 0.18252  
29 H 0.22125  
30 H 0.22114  
31 H 0.22840  
32 H 0.22959  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.999180699 - -10.035824931
2 C1 Val(2S) 1.040335369 - -0.237434640
3 C1 Ryd(3S) 0.001471580 - 1.148122621
4 C1 Ryd(4S) 0.000103888 - 2.141941516
5 C1 Ryd(5S) 0.000003217 - 22.124772019
6 C1 Val(2p) 1.061900632 - -0.092860197
7 C1 Ryd(3p) 0.003803330 - 0.956993012
8 C1 Ryd(4p) 0.000182704 - 1.161744621
9 C1 Ryd(5p) 0.000161776 - 3.142777059
10 C1 Val(2p) 1.150799430 - -0.103560497
11 C1 Ryd(3p) 0.002481605 - 0.676105275
12 C1 Ryd(4p) 0.000315991 - 0.863555869
13 C1 Ryd(5p) 0.000091427 - 3.346261051
14 C1 Val(2p) 1.210119080 - -0.102054381
15 C1 Ryd(4p) 0.001382711 - 0.697940218
16 C1 Ryd(3p) 0.000188986 - 0.543853677
17 C1 Ryd(5p) 0.000067329 - 3.187079959
18 C1 Ryd(3d) 0.001288679 - 1.832929847
19 C1 Ryd(4d) 0.000135544 - 3.594452413
20 C1 Ryd(3d) 0.000333878 - 1.386074679
21 C1 Ryd(4d) 0.000205442 - 2.974728971
22 C1 Ryd(3d) 0.001607817 - 1.605957195
23 C1 Ryd(4d) 0.000106899 - 3.464049427
24 C1 Ryd(3d) 0.000810395 - 1.622182779
25 C1 Ryd(4d) 0.000311541 - 3.438053370
26 C1 Ryd(3d) 0.001444150 - 1.618159837
27 C1 Ryd(4d) 0.000082084 - 3.358046486
28 C2 Cor(1S) 1.999254374 - -10.133817073
29 C2 Val(2S) 0.843090864 - -0.155606047
30 C2 Ryd(3S) 0.004016572 - 1.125586028
31 C2 Ryd(4S) 0.000070703 - 9.027814272
32 C2 Ryd(5S) 0.000017703 - 13.859200128
33 C2 Val(2p) 1.007077811 - -0.047244486
34 C2 Ryd(4p) 0.004238357 - 1.536497948
35 C2 Ryd(3p) 0.000392821 - 0.706317555
36 C2 Ryd(5p) 0.000177691 - 2.508168282
37 C2 Val(2p) 0.810939654 - -0.004817420
38 C2 Ryd(4p) 0.017447301 - 1.178422127
39 C2 Ryd(3p) 0.000390852 - 0.551667261
40 C2 Ryd(5p) 0.000104096 - 2.886990705
41 C2 Val(2p) 0.725906089 - -0.114308763
42 C2 Ryd(4p) 0.000647468 - 0.750463825
43 C2 Ryd(3p) 0.000519248 - 0.390180592
44 C2 Ryd(5p) 0.000111926 - 2.637309064
45 C2 Ryd(3d) 0.001784567 - 2.960611394
46 C2 Ryd(4d) 0.000253794 - 2.989119616
47 C2 Ryd(4d) 0.000293050 - 2.785203413
48 C2 Ryd(3d) 0.000160115 - 1.806925814
49 C2 Ryd(4d) 0.001117285 - 2.846767594
50 C2 Ryd(3d) 0.000144889 - 1.901700202
51 C2 Ryd(3d) 0.000831853 - 3.028072601
52 C2 Ryd(4d) 0.000649176 - 3.076741938
53 C2 Ryd(4d) 0.000340057 - 3.005121769
54 C2 Ryd(3d) 0.000411170 - 2.140432995
55 O3 Cor(1S) 1.999758521 - -18.843380735
56 O3 Val(2S) 1.692668690 - -0.887471044
57 O3 Ryd(4S) 0.000640544 - 2.012000929
58 O3 Ryd(3S) 0.000186442 - 1.105076306
59 O3 Ryd(5S) 0.000000178 - 49.495172623
60 O3 Val(2p) 1.886614215 - -0.261113335
61 O3 Ryd(3p) 0.004181200 - 0.862404867
62 O3 Ryd(4p) 0.000235954 - 1.522888115
63 O3 Ryd(5p) 0.000012311 - 5.210102900
64 O3 Val(2p) 1.591506444 - -0.305608129
65 O3 Ryd(3p) 0.000602178 - 0.621345897
66 O3 Ryd(4p) 0.000147630 - 1.516014058
67 O3 Ryd(5p) 0.000080470 - 5.322855581
68 O3 Val(2p) 1.375891607 - -0.247984743
69 O3 Ryd(3p) 0.000996300 - 0.554543771
70 O3 Ryd(4p) 0.000122161 - 1.178456106
71 O3 Ryd(5p) 0.000009309 - 4.948917950
72 O3 Ryd(3d) 0.005369098 - 1.919625832
73 O3 Ryd(4d) 0.000090580 - 7.112402999
74 O3 Ryd(3d) 0.000079758 - 1.582776249
75 O3 Ryd(4d) 0.000002773 - 6.792061086
76 O3 Ryd(3d) 0.005111679 - 1.786792063
77 O3 Ryd(4d) 0.000014831 - 6.989321281
78 O3 Ryd(3d) 0.006029938 - 2.042536746
79 O3 Ryd(4d) 0.000016157 - 7.019029004
80 O3 Ryd(3d) 0.002018095 - 1.801364856
81 O3 Ryd(4d) 0.000009115 - 6.910080256
82 C4 Cor(1S) 1.998925174 - -10.043943472
83 C4 Val(2S) 0.909076645 - -0.151909780
84 C4 Ryd(3S) 0.001267132 - 1.154938899
85 C4 Ryd(4S) 0.000076727 - 1.888146764
86 C4 Ryd(5S) 0.000005309 - 20.632489534
87 C4 Val(2p) 1.091927140 - -0.074487033
88 C4 Ryd(4p) 0.005948009 - 1.251150897
89 C4 Ryd(3p) 0.000204857 - 0.715397042
90 C4 Ryd(5p) 0.000144076 - 3.615911649
91 C4 Val(2p) 1.092789160 - -0.071190332
92 C4 Ryd(4p) 0.006288363 - 1.274817298
93 C4 Ryd(3p) 0.000198243 - 0.650379623
94 C4 Ryd(5p) 0.000150150 - 3.626717767
95 C4 Val(2p) 1.034688060 - -0.117034418
96 C4 Ryd(4p) 0.000769532 - 0.590050896
97 C4 Ryd(3p) 0.000311271 - 0.389144999
98 C4 Ryd(5p) 0.000029191 - 2.802174648
99 C4 Ryd(3d) 0.000914434 - 2.229642773
100 C4 Ryd(4d) 0.000752790 - 3.724985715
101 C4 Ryd(3d) 0.000237164 - 1.176964747
102 C4 Ryd(4d) 0.000151895 - 3.396425023
103 C4 Ryd(3d) 0.000218298 - 1.213210126
104 C4 Ryd(4d) 0.000204817 - 3.407009122
105 C4 Ryd(3d) 0.001201204 - 2.121970027
106 C4 Ryd(4d) 0.000721668 - 3.792535263
107 C4 Ryd(3d) 0.001140585 - 1.914910969
108 C4 Ryd(4d) 0.000049575 - 3.578766415
109 C5 Cor(1S) 1.999064239 - -10.033280350
110 C5 Val(2S) 0.945552878 - -0.164189289
111 C5 Ryd(4S) 0.001652294 - 1.055953910
112 C5 Ryd(3S) 0.000072681 - 0.976285666
113 C5 Ryd(5S) 0.000019650 - 21.515769559
114 C5 Val(2p) 1.057832876 - -0.050636315
115 C5 Ryd(4p) 0.004338339 - 0.963638884
116 C5 Ryd(3p) 0.000419246 - 0.610869920
117 C5 Ryd(5p) 0.000201140 - 3.487014109
118 C5 Val(2p) 1.189019650 - -0.062462330
119 C5 Ryd(4p) 0.007122658 - 1.116517591
120 C5 Ryd(3p) 0.000255527 - 0.433881972
121 C5 Ryd(5p) 0.000063110 - 3.575229204
122 C5 Val(2p) 0.939238468 - -0.111628760
123 C5 Ryd(4p) 0.000741207 - 0.532103524
124 C5 Ryd(3p) 0.000442414 - 0.318104274
125 C5 Ryd(5p) 0.000018468 - 2.806704163
126 C5 Ryd(3d) 0.000897692 - 2.098859069
127 C5 Ryd(4d) 0.000381372 - 3.592930375
128 C5 Ryd(3d) 0.000175153 - 1.431600618
129 C5 Ryd(4d) 0.000145899 - 3.074875677
130 C5 Ryd(3d) 0.000434896 - 1.327060611
131 C5 Ryd(4d) 0.000050424 - 2.965694870
132 C5 Ryd(3d) 0.000734990 - 2.210916665
133 C5 Ryd(4d) 0.000798199 - 3.667732550
134 C5 Ryd(3d) 0.001333646 - 1.848937237
135 C5 Ryd(4d) 0.000069787 - 3.341414522
136 C6 Cor(1S) 1.999148370 - -10.037626446
137 C6 Val(2S) 0.951162770 - -0.173820258
138 C6 Ryd(3S) 0.001143852 - 1.387473036
139 C6 Ryd(4S) 0.000091830 - 1.775928515
140 C6 Ryd(5S) 0.000004718 - 20.231855528
141 C6 Val(2p) 1.145459231 - -0.061180520
142 C6 Ryd(4p) 0.006164275 - 1.056380221
143 C6 Ryd(3p) 0.000303305 - 0.366971143
144 C6 Ryd(5p) 0.000106411 - 3.449879428
145 C6 Val(2p) 1.091750165 - -0.060208383
146 C6 Ryd(4p) 0.005003854 - 0.896240178
147 C6 Ryd(3p) 0.000345537 - 0.454470311
148 C6 Ryd(5p) 0.000166311 - 3.428291549
149 C6 Val(2p) 0.995876818 - -0.117522516
150 C6 Ryd(4p) 0.001019734 - 0.509041400
151 C6 Ryd(3p) 0.000322122 - 0.321109244
152 C6 Ryd(5p) 0.000025642 - 2.740317876
153 C6 Ryd(3d) 0.000735575 - 2.272222369
154 C6 Ryd(4d) 0.000779723 - 3.563867970
155 C6 Ryd(3d) 0.000320409 - 1.416369061
156 C6 Ryd(4d) 0.000058354 - 2.916489795
157 C6 Ryd(3d) 0.000215632 - 1.464053047
158 C6 Ryd(4d) 0.000096018 - 2.960031489
159 C6 Ryd(3d) 0.000781221 - 2.149656775
160 C6 Ryd(4d) 0.000465992 - 3.507251635
161 C6 Ryd(3d) 0.001297069 - 1.877212081
162 C6 Ryd(4d) 0.000089884 - 3.225797841
163 C7 Cor(1S) 1.999148343 - -10.042264984
164 C7 Val(2S) 0.954006148 - -0.178830227
165 C7 Ryd(3S) 0.001251688 - 1.003758985
166 C7 Ryd(4S) 0.000081876 - 2.098376725
167 C7 Ryd(5S) 0.000007466 - 20.449012973
168 C7 Val(2p) 1.145619293 - -0.064011599
169 C7 Ryd(4p) 0.006471099 - 1.003240256
170 C7 Ryd(3p) 0.000288170 - 0.407055377
171 C7 Ryd(5p) 0.000083593 - 3.459611950
172 C7 Val(2p) 1.088939136 - -0.060938195
173 C7 Ryd(4p) 0.005027399 - 0.853977976
174 C7 Ryd(3p) 0.000408123 - 0.464721321
175 C7 Ryd(5p) 0.000164540 - 3.442743897
176 C7 Val(2p) 0.971455646 - -0.119472500
177 C7 Ryd(4p) 0.001027884 - 0.502580354
178 C7 Ryd(3p) 0.000286564 - 0.312942811
179 C7 Ryd(5p) 0.000018704 - 2.738417475
180 C7 Ryd(3d) 0.000804948 - 2.226728796
181 C7 Ryd(4d) 0.000713215 - 3.511194662
182 C7 Ryd(3d) 0.000302308 - 1.420599672
183 C7 Ryd(4d) 0.000066407 - 2.886081617
184 C7 Ryd(3d) 0.000225471 - 1.476495364
185 C7 Ryd(4d) 0.000104458 - 2.942431003
186 C7 Ryd(3d) 0.000784552 - 2.134896100
187 C7 Ryd(4d) 0.000520266 - 3.476196484
188 C7 Ryd(3d) 0.001314920 - 1.866522876
189 C7 Ryd(4d) 0.000089677 - 3.199217966
190 C8 Cor(1S) 1.999150693 - -10.039547298
191 C8 Val(2S) 0.949464400 - -0.175834649
192 C8 Ryd(3S) 0.001235029 - 1.416756171
193 C8 Ryd(4S) 0.000097336 - 1.545733126
194 C8 Ryd(5S) 0.000005184 - 20.449806792
195 C8 Val(2p) 1.063390411 - -0.060062364
196 C8 Ryd(4p) 0.004477290 - 0.815626118
197 C8 Ryd(3p) 0.000370527 - 0.520273748
198 C8 Ryd(5p) 0.000203889 - 3.394690934
199 C8 Val(2p) 1.172512171 - -0.066413542
200 C8 Ryd(4p) 0.007130538 - 1.124670957
201 C8 Ryd(3p) 0.000240423 - 0.324108689
202 C8 Ryd(5p) 0.000057486 - 3.442975727
203 C8 Val(2p) 1.001827211 - -0.119968991
204 C8 Ryd(4p) 0.001128094 - 0.505379057
205 C8 Ryd(3p) 0.000313429 - 0.311808732
206 C8 Ryd(5p) 0.000027155 - 2.751761727
207 C8 Ryd(3d) 0.000808501 - 2.098414301
208 C8 Ryd(4d) 0.000377560 - 3.513480594
209 C8 Ryd(3d) 0.000163424 - 1.456704430
210 C8 Ryd(4d) 0.000153294 - 3.021737929
211 C8 Ryd(3d) 0.000326743 - 1.345583571
212 C8 Ryd(4d) 0.000051822 - 2.917597947
213 C8 Ryd(3d) 0.000714331 - 2.270067626
214 C8 Ryd(4d) 0.000855002 - 3.590874083
215 C8 Ryd(3d) 0.001356041 - 1.855132304
216 C8 Ryd(4d) 0.000085494 - 3.258923398
217 C9 Cor(1S) 1.999076286 - -10.040867158
218 C9 Val(2S) 0.940673983 - -0.170993808
219 C9 Ryd(4S) 0.001193605 - 1.148403040
220 C9 Ryd(3S) 0.000102986 - 1.052606152
221 C9 Ryd(5S) 0.000014862 - 21.368238184
222 C9 Val(2p) 1.147906903 - -0.068010263
223 C9 Ryd(4p) 0.004785515 - 1.191421012
224 C9 Ryd(3p) 0.000269144 - 0.669357756
225 C9 Ryd(5p) 0.000106031 - 3.467934562
226 C9 Val(2p) 1.092393812 - -0.058326551
227 C9 Ryd(4p) 0.004319828 - 0.965802972
228 C9 Ryd(3p) 0.000403104 - 0.757298320
229 C9 Ryd(5p) 0.000174013 - 3.380756571
230 C9 Val(2p) 0.975317825 - -0.121540315
231 C9 Ryd(4p) 0.001141812 - 0.521371276
232 C9 Ryd(3p) 0.000499922 - 0.379831892
233 C9 Ryd(5p) 0.000021373 - 2.798249945
234 C9 Ryd(3d) 0.000627149 - 2.245731327
235 C9 Ryd(4d) 0.000664061 - 3.669819970
236 C9 Ryd(3d) 0.000326345 - 1.329246686
237 C9 Ryd(4d) 0.000111166 - 2.997742564
238 C9 Ryd(3d) 0.000267762 - 1.402881261
239 C9 Ryd(4d) 0.000098627 - 3.072804097
240 C9 Ryd(3d) 0.000821222 - 2.090833719
241 C9 Ryd(4d) 0.000543369 - 3.611916850
242 C9 Ryd(3d) 0.001381300 - 1.833018993
243 C9 Ryd(4d) 0.000090987 - 3.344607458
244 H10 Val(1S) 0.790786232 - 0.037498831
245 H10 Ryd(2S) 0.000764069 - 1.266533213
246 H10 Ryd(3S) 0.000152519 - 1.823138119
247 H10 Ryd(2p) 0.000307015 - 2.854757274
248 H10 Ryd(2p) 0.000168512 - 2.711056317
249 H10 Ryd(2p) 0.000192011 - 1.936243532
250 H11 Val(1S) 0.791668391 - 0.038502148
251 H11 Ryd(2S) 0.000546569 - 1.105903505
252 H11 Ryd(3S) 0.000144611 - 1.981692976
253 H11 Ryd(2p) 0.000050954 - 2.561465101
254 H11 Ryd(2p) 0.000403580 - 2.891408820
255 H11 Ryd(2p) 0.000203594 - 1.909852440
256 H12 Val(1S) 0.792212762 - 0.038935662
257 H12 Ryd(2S) 0.000442932 - 1.034461197
258 H12 Ryd(3S) 0.000146818 - 2.005610660
259 H12 Ryd(2p) 0.000328056 - 2.803837441
260 H12 Ryd(2p) 0.000134138 - 2.624632469
261 H12 Ryd(2p) 0.000198213 - 1.907498979
262 H13 Val(1S) 0.790590148 - 0.042657047
263 H13 Ryd(2S) 0.000536100 - 1.100216080
264 H13 Ryd(3S) 0.000150409 - 1.974106406
265 H13 Ryd(2p) 0.000303657 - 2.811292656
266 H13 Ryd(2p) 0.000150327 - 2.641345927
267 H13 Ryd(2p) 0.000199642 - 1.913048061
268 H14 Val(1S) 0.767648821 - 0.063052181
269 H14 Ryd(2S) 0.001139889 - 1.362621218
270 H14 Ryd(3S) 0.000171779 - 1.731472063
271 H14 Ryd(2p) 0.000096545 - 2.612248466
272 H14 Ryd(2p) 0.000420506 - 2.932867486
273 H14 Ryd(2p) 0.000164288 - 1.952382475
274 C15 Cor(1S) 1.999109519 - -10.021222182
275 C15 Val(2S) 1.017728019 - -0.221909466
276 C15 Ryd(3S) 0.002177707 - 1.124010313
277 C15 Ryd(4S) 0.000141648 - 1.607381441
278 C15 Ryd(5S) 0.000002340 - 22.421683216
279 C15 Val(2p) 1.026058296 - -0.082134530
280 C15 Ryd(4p) 0.004904156 - 0.813914348
281 C15 Ryd(3p) 0.000279827 - 0.806028660
282 C15 Ryd(5p) 0.000134885 - 3.391333042
283 C15 Val(2p) 1.127649390 - -0.090753589
284 C15 Ryd(4p) 0.003468339 - 0.629084361
285 C15 Ryd(3p) 0.000274282 - 0.373871886
286 C15 Ryd(5p) 0.000114585 - 3.383702855
287 C15 Val(2p) 1.216991850 - -0.089180394
288 C15 Ryd(4p) 0.004752418 - 0.750663835
289 C15 Ryd(3p) 0.000186296 - 0.357180856
290 C15 Ryd(5p) 0.000037485 - 3.387762280
291 C15 Ryd(3d) 0.001490436 - 1.656431873
292 C15 Ryd(4d) 0.000157602 - 3.641627145
293 C15 Ryd(3d) 0.000263768 - 1.318419306
294 C15 Ryd(4d) 0.000250203 - 3.145660780
295 C15 Ryd(3d) 0.001505441 - 1.492920391
296 C15 Ryd(4d) 0.000223898 - 3.599417688
297 C15 Ryd(3d) 0.000452179 - 1.465796087
298 C15 Ryd(4d) 0.000474460 - 3.511242572
299 C15 Ryd(3d) 0.001805812 - 1.484917614
300 C15 Ryd(4d) 0.000082380 - 3.432616547
301 C16 Cor(1S) 1.999142570 - -10.160167950
302 C16 Val(2S) 0.865978187 - -0.209638308
303 C16 Ryd(3S) 0.001409177 - 1.072478656
304 C16 Ryd(4S) 0.000116403 - 2.873079110
305 C16 Ryd(5S) 0.000013458 - 21.552382706
306 C16 Val(2p) 1.046016144 - -0.104569197
307 C16 Ryd(3p) 0.005009532 - 1.072987573
308 C16 Ryd(4p) 0.000294623 - 1.350469952
309 C16 Ryd(5p) 0.000038994 - 2.484142718
310 C16 Val(2p) 0.821808076 - -0.086221469
311 C16 Ryd(3p) 0.004992121 - 1.030032791
312 C16 Ryd(4p) 0.000494654 - 1.547062896
313 C16 Ryd(5p) 0.000063441 - 2.360707184
314 C16 Val(2p) 0.625515229 - -0.060016503
315 C16 Ryd(3p) 0.010672849 - 0.853893801
316 C16 Ryd(4p) 0.000338840 - 1.537499449
317 C16 Ryd(5p) 0.000025402 - 2.466298399
318 C16 Ryd(3d) 0.001515339 - 2.261823821
319 C16 Ryd(4d) 0.000116656 - 3.205808526
320 C16 Ryd(3d) 0.000845353 - 2.243157143
321 C16 Ryd(4d) 0.000431213 - 2.696423735
322 C16 Ryd(3d) 0.002148440 - 2.550212101
323 C16 Ryd(4d) 0.000188990 - 3.101324428
324 C16 Ryd(3d) 0.000964676 - 2.298825440
325 C16 Ryd(4d) 0.000377817 - 3.012281305
326 C16 Ryd(3d) 0.001461530 - 2.423524833
327 C16 Ryd(4d) 0.000360000 - 3.075364113
328 C17 Cor(1S) 1.999206285 - -10.014847236
329 C17 Val(2S) 1.088372482 - -0.250904907
330 C17 Ryd(3S) 0.000451293 - 1.044449965
331 C17 Ryd(4S) 0.000106639 - 1.378594284
332 C17 Ryd(5S) 0.000001968 - 22.556021717
333 C17 Val(2p) 1.132612142 - -0.096844622
334 C17 Ryd(4p) 0.002735985 - 0.644612519
335 C17 Ryd(3p) 0.000241301 - 0.348630685
336 C17 Ryd(5p) 0.000053182 - 3.067280090
337 C17 Val(2p) 1.157472014 - -0.095974548
338 C17 Ryd(4p) 0.002415983 - 0.644988032
339 C17 Ryd(3p) 0.000244894 - 0.349921756
340 C17 Ryd(5p) 0.000033604 - 3.105494696
341 C17 Val(2p) 1.208733245 - -0.092923901
342 C17 Ryd(4p) 0.001665336 - 0.664635051
343 C17 Ryd(3p) 0.000050814 - 0.405135580
344 C17 Ryd(5p) 0.000019168 - 3.137275764
345 C17 Ryd(3d) 0.002067561 - 1.675326985
346 C17 Ryd(4d) 0.000092680 - 3.413881796
347 C17 Ryd(3d) 0.000402558 - 1.353329854
348 C17 Ryd(4d) 0.000076303 - 3.061022807
349 C17 Ryd(3d) 0.001610098 - 1.575927933
350 C17 Ryd(4d) 0.000120022 - 3.385656029
351 C17 Ryd(3d) 0.000420133 - 1.483264009
352 C17 Ryd(4d) 0.000181726 - 3.272288833
353 C17 Ryd(3d) 0.001747593 - 1.560163548
354 C17 Ryd(4d) 0.000038774 - 3.340610894
355 H18 Val(1S) 0.794622163 - 0.034066061
356 H18 Ryd(2S) 0.001116039 - 1.094933621
357 H18 Ryd(3S) 0.000136709 - 1.759376053
358 H18 Ryd(2p) 0.000257828 - 2.735353484
359 H18 Ryd(2p) 0.000128408 - 2.286735594
360 H18 Ryd(2p) 0.000124946 - 1.976557400
361 H19 Val(1S) 0.790428574 - 0.036315778
362 H19 Ryd(2S) 0.000837967 - 0.908397156
363 H19 Ryd(3S) 0.000133793 - 1.961827782
364 H19 Ryd(2p) 0.000135068 - 2.124892926
365 H19 Ryd(2p) 0.000172083 - 2.427391776
366 H19 Ryd(2p) 0.000184624 - 2.495022450
367 H20 Val(1S) 0.786459597 - 0.037972707
368 H20 Ryd(2S) 0.000822277 - 0.936047968
369 H20 Ryd(3S) 0.000136675 - 1.929201473
370 H20 Ryd(2p) 0.000131230 - 2.119530130
371 H20 Ryd(2p) 0.000148406 - 2.313858001
372 H20 Ryd(2p) 0.000204626 - 2.608392087
373 O21 Cor(1S) 1.999743322 - -18.922924665
374 O21 Val(2S) 1.627600622 - -0.874482783
375 O21 Ryd(3S) 0.002212999 - 1.531847693
376 O21 Ryd(4S) 0.000052158 - 2.128504221
377 O21 Ryd(5S) 0.000000597 - 49.271637451
378 O21 Val(2p) 1.910320320 - -0.298678054
379 O21 Ryd(3p) 0.003665074 - 0.655495754
380 O21 Ryd(4p) 0.000841673 - 1.049948162
381 O21 Ryd(5p) 0.000007440 - 5.036552965
382 O21 Val(2p) 1.382369149 - -0.286560774
383 O21 Ryd(3p) 0.002566883 - 0.908602584
384 O21 Ryd(4p) 0.000718717 - 1.202031402
385 O21 Ryd(5p) 0.000018739 - 4.741491744
386 O21 Val(2p) 1.685918713 - -0.318461011
387 O21 Ryd(3p) 0.002683620 - 0.594668695
388 O21 Ryd(4p) 0.001151750 - 0.978736246
389 O21 Ryd(5p) 0.000077423 - 4.966630690
390 O21 Ryd(3d) 0.000502079 - 1.871836253
391 O21 Ryd(4d) 0.000046221 - 6.988990995
392 O21 Ryd(3d) 0.002733502 - 1.864475965
393 O21 Ryd(4d) 0.000025549 - 6.968803875
394 O21 Ryd(3d) 0.003561435 - 2.175327703
395 O21 Ryd(4d) 0.000053481 - 7.130989882
396 O21 Ryd(3d) 0.001546469 - 1.937949987
397 O21 Ryd(4d) 0.000019582 - 6.986712298
398 O21 Ryd(3d) 0.003321827 - 1.971596690
399 O21 Ryd(4d) 0.000047622 - 7.034770950
400 C22 Cor(1S) 1.999220140 - -10.103392862
401 C22 Val(2S) 1.022778729 - -0.254281229
402 C22 Ryd(4S) 0.001621857 - 1.096809200
403 C22 Ryd(3S) 0.000189447 - 1.073326546
404 C22 Ryd(5S) 0.000006569 - 23.066891833
405 C22 Val(2p) 1.157214923 - -0.104493360
406 C22 Ryd(4p) 0.001804753 - 0.969765883
407 C22 Ryd(3p) 0.000819563 - 0.506522009
408 C22 Ryd(5p) 0.000095814 - 2.647178308
409 C22 Val(2p) 0.813854280 - -0.082882841
410 C22 Ryd(4p) 0.002967163 - 0.843189688
411 C22 Ryd(3p) 0.000310216 - 0.429608964
412 C22 Ryd(5p) 0.000050645 - 2.662489732
413 C22 Val(2p) 1.031029808 - -0.105928209
414 C22 Ryd(4p) 0.003294280 - 0.945724351
415 C22 Ryd(3p) 0.000261966 - 0.464467801
416 C22 Ryd(5p) 0.000135878 - 2.517662658
417 C22 Ryd(3d) 0.002078675 - 1.845385854
418 C22 Ryd(4d) 0.000095449 - 2.973367649
419 C22 Ryd(3d) 0.000810717 - 1.824617781
420 C22 Ryd(4d) 0.000135267 - 2.910915403
421 C22 Ryd(3d) 0.000870274 - 1.900118616
422 C22 Ryd(4d) 0.000241085 - 3.092492228
423 C22 Ryd(3d) 0.001896357 - 1.991890737
424 C22 Ryd(4d) 0.000162352 - 3.187756028
425 C22 Ryd(3d) 0.001123544 - 1.973594418
426 C22 Ryd(4d) 0.000172739 - 3.076570229
427 C23 Cor(1S) 1.999222560 - -10.104232866
428 C23 Val(2S) 1.022808320 - -0.255757750
429 C23 Ryd(4S) 0.001556478 - 1.126936361
430 C23 Ryd(3S) 0.000187293 - 0.987916878
431 C23 Ryd(5S) 0.000006606 - 23.132262282
432 C23 Val(2p) 1.080621042 - -0.102228395
433 C23 Ryd(4p) 0.001454383 - 0.892141415
434 C23 Ryd(3p) 0.000722273 - 0.569379986
435 C23 Ryd(5p) 0.000081949 - 2.556028145
436 C23 Val(2p) 0.881986416 - -0.089868196
437 C23 Ryd(4p) 0.003784603 - 0.909036175
438 C23 Ryd(3p) 0.000326395 - 0.589589064
439 C23 Ryd(5p) 0.000075722 - 2.583851646
440 C23 Val(2p) 1.046306720 - -0.110155842
441 C23 Ryd(4p) 0.003474624 - 0.943597593
442 C23 Ryd(3p) 0.000279133 - 0.531619077
443 C23 Ryd(5p) 0.000135383 - 2.464473402
444 C23 Ryd(3d) 0.001799933 - 1.955125887
445 C23 Ryd(4d) 0.000168835 - 3.089905453
446 C23 Ryd(3d) 0.000636893 - 1.828584018
447 C23 Ryd(4d) 0.000164767 - 2.911439476
448 C23 Ryd(3d) 0.001120085 - 1.911270594
449 C23 Ryd(4d) 0.000220973 - 3.076445211
450 C23 Ryd(3d) 0.001975522 - 1.906294692
451 C23 Ryd(4d) 0.000095192 - 3.022981355
452 C23 Ryd(3d) 0.001202921 - 1.986972754
453 C23 Ryd(4d) 0.000135862 - 3.063494279
454 O24 Cor(1S) 1.999742001 - -18.924237252
455 O24 Val(2S) 1.626634425 - -0.880611192
456 O24 Ryd(3S) 0.002174115 - 1.487401817
457 O24 Ryd(4S) 0.000043172 - 1.970927567
458 O24 Ryd(5S) 0.000000583 - 49.296216693
459 O24 Val(2p) 1.814876015 - -0.303197624
460 O24 Ryd(3p) 0.003015882 - 0.654612723
461 O24 Ryd(4p) 0.000813493 - 1.110974941
462 O24 Ryd(5p) 0.000013535 - 4.962721476
463 O24 Val(2p) 1.465852439 - -0.293137160
464 O24 Ryd(3p) 0.003167489 - 0.837283177
465 O24 Ryd(4p) 0.000821820 - 1.209116744
466 O24 Ryd(5p) 0.000014116 - 4.813240347
467 O24 Val(2p) 1.687230745 - -0.324354252
468 O24 Ryd(3p) 0.002697226 - 0.573455048
469 O24 Ryd(4p) 0.001191651 - 1.005546327
470 O24 Ryd(5p) 0.000080950 - 4.966698842
471 O24 Ryd(3d) 0.001562442 - 1.967104590
472 O24 Ryd(4d) 0.000029761 - 7.013920049
473 O24 Ryd(3d) 0.002848727 - 1.866017633
474 O24 Ryd(4d) 0.000035408 - 6.970346938
475 O24 Ryd(3d) 0.003432855 - 2.111794501
476 O24 Ryd(4d) 0.000040958 - 7.104979385
477 O24 Ryd(3d) 0.000811481 - 1.850583666
478 O24 Ryd(4d) 0.000039338 - 6.968931517
479 O24 Ryd(3d) 0.003504804 - 1.985718372
480 O24 Ryd(4d) 0.000047176 - 7.040344191
481 H25 Val(1S) 0.808236235 - 0.009302004
482 H25 Ryd(2S) 0.000784916 - 0.674776033
483 H25 Ryd(3S) 0.000214910 - 2.192364537
484 H25 Ryd(2p) 0.000086592 - 2.199804170
485 H25 Ryd(2p) 0.000252250 - 2.633766318
486 H25 Ryd(2p) 0.000258447 - 2.455331114
487 H26 Val(1S) 0.833951435 - 0.003226384
488 H26 Ryd(2S) 0.001445947 - 0.763251295
489 H26 Ryd(3S) 0.000210558 - 2.154223082
490 H26 Ryd(2p) 0.000370254 - 2.918025844
491 H26 Ryd(2p) 0.000087062 - 2.213403730
492 H26 Ryd(2p) 0.000155083 - 2.160696949
493 H27 Val(1S) 0.836129293 - 0.004357484
494 H27 Ryd(2S) 0.001502703 - 0.816463886
495 H27 Ryd(3S) 0.000264792 - 2.111209470
496 H27 Ryd(2p) 0.000295742 - 2.623088335
497 H27 Ryd(2p) 0.000168900 - 2.492192345
498 H27 Ryd(2p) 0.000152481 - 2.140302465
499 H28 Val(1S) 0.815544069 - 0.008917074
500 H28 Ryd(2S) 0.001082730 - 0.603192129
501 H28 Ryd(3S) 0.000242492 - 2.229563558
502 H28 Ryd(2p) 0.000209290 - 2.433198512
503 H28 Ryd(2p) 0.000152359 - 2.416922274
504 H28 Ryd(2p) 0.000250340 - 2.431704786
505 H29 Val(1S) 0.776965815 - 0.047798605
506 H29 Ryd(2S) 0.001007826 - 1.067172281
507 H29 Ryd(3S) 0.000203554 - 1.944813393
508 H29 Ryd(2p) 0.000176014 - 2.345446658
509 H29 Ryd(2p) 0.000198285 - 2.542361474
510 H29 Ryd(2p) 0.000201493 - 2.643631148
511 H30 Val(1S) 0.777113683 - 0.048273404
512 H30 Ryd(2S) 0.000974574 - 1.035916055
513 H30 Ryd(3S) 0.000194987 - 1.986697491
514 H30 Ryd(2p) 0.000177753 - 2.360366531
515 H30 Ryd(2p) 0.000199251 - 2.557652322
516 H30 Ryd(2p) 0.000198889 - 2.629753874
517 H31 Val(1S) 0.769398624 - 0.031182781
518 H31 Ryd(2S) 0.001395248 - 1.262583102
519 H31 Ryd(3S) 0.000234302 - 1.749923238
520 H31 Ryd(2p) 0.000200193 - 2.326381935
521 H31 Ryd(2p) 0.000179034 - 2.497212604
522 H31 Ryd(2p) 0.000189674 - 2.620961170
523 H32 Val(1S) 0.768101987 - 0.032920698
524 H32 Ryd(2S) 0.001494173 - 1.299658721
525 H32 Ryd(3S) 0.000254816 - 1.743818632
526 H32 Ryd(2p) 0.000192444 - 2.330880229
527 H32 Ryd(2p) 0.000181704 - 2.509172505
528 H32 Ryd(2p) 0.000185629 - 2.615725724

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(C2) 1s(26.74%)p2.73(73.11%)d0.01(0.15%) 1.048121223 - -0.124961258
2 BD(1)C2(C1) 2s(34.94%)p1.86(65.03%)d0.00(0.03%) 0.993436883 - -0.114956288
3 BD(1)C1(C15) 1s(29.17%)p2.43(70.78%)d0.00(0.05%) 1.009002665 - -0.111186594
4 BD(1)C15(C1) 15s(27.98%)p2.57(71.95%)d0.00(0.07%) 0.983510936 - -0.101690477
5 BD(1)C1(H31) 1s(22.02%)p3.54(77.88%)d0.00(0.10%) 1.204883862 - -0.143611833
6 BD(1)H31(C1) 31s(99.98%)p0.00(0.02%) 0.769589573 - 0.033427125
7 BD(1)C1(H32) 1s(22.10%)p3.52(77.80%)d0.00(0.10%) 1.206506837 - -0.143488887
8 BD(1)H32(C1) 32s(99.98%)p0.00(0.02%) 0.768294578 - 0.035221407
9 BD(1)C2(O3) 2s(30.09%)p2.32(69.80%)d0.00(0.11%) 0.691444180 - 0.023762261
10 BD(1)O3(C2) 3s(42.98%)p1.32(56.56%)d0.01(0.45%) 1.313565211 - -0.501865878
11 BD(2)C2(O3) 2s(0.00%)p1.00(99.87%)d0.00(0.13%) 0.726803938 - -0.112259979
12 BD(2)O3(C2) 3s(0.00%)p1.00(99.63%)d0.00(0.37%) 1.381229863 - -0.250126732
13 BD(1)C2(C4) 2s(34.91%)p1.86(65.04%)d0.00(0.04%) 0.982414871 - -0.098844967
14 BD(1)C4(C2) 4s(30.53%)p2.27(69.40%)d0.00(0.07%) 1.061762832 - -0.125511710
15 BD(1)C4(C5) 4s(34.41%)p1.90(65.52%)d0.00(0.07%) 1.020105053 - -0.080948762
16 BD(1)C5(C4) 5s(34.97%)p1.86(64.92%)d0.00(0.11%) 0.974983524 - -0.056654061
17 BD(1)C4(C9) 4s(34.98%)p1.86(64.95%)d0.00(0.07%) 1.015255411 - -0.081162924
18 BD(1)C9(C4) 9s(35.59%)p1.81(64.30%)d0.00(0.10%) 0.982528231 - -0.064138999
19 BD(2)C4(C9) 4s(0.00%)p1.00(99.99%)d0.00(0.01%) 1.034906292 - -0.116374973
20 BD(2)C9(C4) 9s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.976003641 - -0.121714634
21 BD(1)C5(C6) 5s(36.07%)p1.77(63.83%)d0.00(0.10%) 0.998805320 - -0.067217297
22 BD(1)C6(C5) 6s(35.88%)p1.78(64.01%)d0.00(0.11%) 0.995204823 - -0.066014965
23 BD(2)C5(C6) 5s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.939921486 - -0.111625719
24 BD(2)C6(C5) 6s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.996779716 - -0.118460941
25 BD(1)C5(H14) 5s(28.85%)p2.46(71.11%)d0.00(0.04%) 1.224626155 - -0.136388836
26 BD(1)H14(C5) 14s(99.96%)p0.00(0.04%) 0.768008412 - 0.065855902
27 BD(1)C6(C7) 6s(35.54%)p1.81(64.34%)d0.00(0.11%) 0.997278034 - -0.072280818
28 BD(1)C7(C6) 7s(35.73%)p1.80(64.16%)d0.00(0.11%) 0.998805058 - -0.072999389
29 BD(1)C6(H13) 6s(28.46%)p2.51(71.50%)d0.00(0.04%) 1.203112927 - -0.138348892
30 BD(1)H13(C6) 13s(99.96%)p0.00(0.04%) 0.790940049 - 0.044757604
31 BD(1)C7(C8) 7s(35.75%)p1.79(64.13%)d0.00(0.11%) 0.995975191 - -0.071780986
32 BD(1)C8(C7) 8s(35.74%)p1.80(64.16%)d0.00(0.11%) 0.999573333 - -0.074006619
33 BD(2)C7(C8) 7s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.972283044 - -0.120187700
34 BD(2)C8(C7) 8s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.002661904 - -0.120726135
35 BD(1)C7(H12) 7s(28.39%)p2.52(71.56%)d0.00(0.05%) 1.201116699 - -0.140632924
36 BD(1)H12(C7) 12s(99.96%)p0.00(0.04%) 0.792572803 - 0.040941511
37 BD(1)C8(C9) 8s(35.72%)p1.80(64.16%)d0.00(0.12%) 0.991614996 - -0.068846350
38 BD(1)C9(C8) 9s(35.99%)p1.78(63.91%)d0.00(0.10%) 1.002889689 - -0.074315200
39 BD(1)C8(H11) 8s(28.42%)p2.52(71.53%)d0.00(0.04%) 1.201584541 - -0.141039602
40 BD(1)H11(C8) 11s(99.96%)p0.00(0.04%) 0.792020700 - 0.040566723
41 BD(1)C9(H10) 9s(28.29%)p2.53(71.66%)d0.00(0.05%) 1.201161717 - -0.141011557
42 BD(1)H10(C9) 10s(99.96%)p0.00(0.04%) 0.791145411 - 0.039873840
43 BD(1)C15(C16) 15s(28.32%)p2.53(71.53%)d0.01(0.16%) 1.001851478 - -0.111787383
44 BD(1)C16(C15) 16s(30.43%)p2.28(69.50%)d0.00(0.07%) 1.011160606 - -0.127815594
45 BD(1)C15(H29) 15s(21.89%)p3.56(78.01%)d0.00(0.10%) 1.204779980 - -0.128006672
46 BD(1)H29(C15) 29s(99.97%)p0.00(0.03%) 0.777183073 - 0.049494614
47 BD(1)C15(H30) 15s(21.86%)p3.57(78.05%)d0.00(0.10%) 1.204756077 - -0.127594499
48 BD(1)H30(C15) 30s(99.97%)p0.00(0.03%) 0.777336808 - 0.049871907
49 BD(1)C16(C17) 16s(30.02%)p2.33(69.91%)d0.00(0.07%) 1.020843449 - -0.142046636
50 BD(1)C17(C16) 17s(29.64%)p2.37(70.20%)d0.01(0.17%) 1.001478448 - -0.117503830
51 BD(1)C16(O21) 16s(19.62%)p4.09(80.19%)d0.01(0.19%) 0.668762445 - -0.085895537
52 BD(1)O21(C16) 21s(30.11%)p2.31(69.67%)d0.01(0.22%) 1.389989519 - -0.466954596
53 BD(1)C16(O24) 16s(19.89%)p4.02(79.92%)d0.01(0.19%) 0.662992032 - -0.081913510
54 BD(1)O24(C16) 24s(30.12%)p2.31(69.65%)d0.01(0.23%) 1.387161146 - -0.472989386
55 BD(1)C17(H18) 17s(23.43%)p3.26(76.47%)d0.00(0.10%) 1.195440331 - -0.134731501
56 BD(1)H18(C17) 18s(99.98%)p0.00(0.02%) 0.794826629 - 0.035514918
57 BD(1)C17(H19) 17s(23.46%)p3.26(76.43%)d0.00(0.11%) 1.197481418 - -0.135099205
58 BD(1)H19(C17) 19s(99.98%)p0.00(0.02%) 0.790625945 - 0.037652554
59 BD(1)C17(H20) 17s(23.41%)p3.27(76.48%)d0.00(0.11%) 1.199837717 - -0.135181071
60 BD(1)H20(C17) 20s(99.98%)p0.00(0.02%) 0.786645569 - 0.039203108
61 BD(1)O21(C22) 21s(27.08%)p2.68(72.67%)d0.01(0.25%) 1.344652312 - -0.440584237
62 BD(1)C22(O21) 22s(20.76%)p3.81(79.05%)d0.01(0.19%) 0.656275223 - -0.072191949
63 BD(1)C22(C23) 22s(28.69%)p2.48(71.19%)d0.00(0.11%) 1.008199980 - -0.140224638
64 BD(1)C23(C22) 23s(28.61%)p2.49(71.27%)d0.00(0.11%) 1.009120428 - -0.142204709
65 BD(1)C22(H27) 22s(25.23%)p2.96(74.66%)d0.00(0.11%) 1.180799981 - -0.155470925
66 BD(1)H27(C22) 27s(99.96%)p0.00(0.04%) 0.836447877 - 0.007464919
67 BD(1)C22(H28) 22s(25.36%)p2.94(74.55%)d0.00(0.09%) 1.188123582 - -0.156075920
68 BD(1)H28(C22) 28s(99.96%)p0.00(0.04%) 0.815909656 - 0.011434622
69 BD(1)C23(O24) 23s(20.60%)p3.85(79.21%)d0.01(0.19%) 0.657042446 - -0.073621540
70 BD(1)O24(C23) 24s(26.52%)p2.76(73.22%)d0.01(0.26%) 1.344794313 - -0.442539927
71 BD(1)C23(H25) 23s(25.41%)p2.93(74.50%)d0.00(0.09%) 1.190938958 - -0.159010752
72 BD(1)H25(C23) 25s(99.96%)p0.00(0.04%) 0.808592653 - 0.011385748
73 BD(1)C23(H26) 23s(25.39%)p2.93(74.51%)d0.00(0.11%) 1.183824261 - -0.160134194
74 BD(1)H26(C23) 26s(99.96%)p0.00(0.04%) 0.834250431 - 0.006290039
75 CR(1)C1 s(100.00%)p0.00(0.00%) 1.999177115 - -10.035773075
76 CR(1)C2 s(100.00%)p0.00(0.00%) 1.999254772 - -10.133630625
77 CR(1)O3 s(100.00%)p0.00(0.00%) 1.999756888 - -18.844656327
78 CR(1)C4 s(100.00%) 1.998925815 - -10.044085426
79 CR(1)C5 s(100.00%)p0.00(0.00%) 1.999066669 - -10.033509701
80 CR(1)C6 s(100.00%)p0.00(0.00%) 1.999150981 - -10.037880114
81 CR(1)C7 s(100.00%)p0.00(0.00%) 1.999150948 - -10.042527505
82 CR(1)C8 s(100.00%)p0.00(0.00%) 1.999153408 - -10.039793305
83 CR(1)C9 s(100.00%)p0.00(0.00%) 1.999078688 - -10.041129381
84 CR(1)C15 s(100.00%)p0.00(0.00%) 1.999106134 - -10.021089036
85 CR(1)C16 s(100.00%) 1.999140202 - -10.160188129
86 CR(1)C17 s(100.00%)p0.00(0.00%) 1.999203607 - -10.014859283
87 CR(1)O21 s(100.00%) 1.999743420 - -18.923560983
88 CR(1)C22 s(100.00%)p0.00(0.00%) 1.999218929 - -10.103422001
89 CR(1)C23 s(100.00%)p0.00(0.00%) 1.999221576 - -10.104288514
90 CR(1)O24 s(100.00%) 1.999742107 - -18.924899436
91 LP(1)O3 s(56.98%)p0.75(42.92%)d0.00(0.10%) 1.978996274 - -0.687083778
92 LP(2)O3 s(0.00%)p1.00(99.72%)d0.00(0.28%) 1.892548338 - -0.266049558
93 LP(1)O21 s(42.68%)p1.34(57.22%)d0.00(0.10%) 1.960564074 - -0.571168909
94 LP(2)O21 s(0.10%)p99.99(99.76%)d1.49(0.14%) 1.925924304 - -0.301309632
95 LP(1)O24 s(43.09%)p1.32(56.81%)d0.00(0.10%) 1.961361994 - -0.580496718
96 LP(2)O24 s(0.25%)p99.99(99.60%)d0.57(0.14%) 1.916612079 - -0.306908428
97 RY*(1)C1 s(7.33%)p12.33(90.40%)d0.31(2.26%) 0.004240908 - 0.899090454
98 RY*(2)C1 s(0.95%)p97.80(92.75%)d6.64(6.30%) 0.002394591 - 0.979638587
99 RY*(3)C1 s(0.07%)p99.99(86.96%)d99.99(12.97%) 0.001649575 - 0.968486557
100 RY*(4)C1 s(66.24%)p0.34(22.21%)d0.17(11.55%) 0.000916966 - 1.224747461
101 RY*(5)C1 s(9.32%)p0.45(4.22%)d9.28(86.46%) 0.000472701 - 1.417811926
102 RY*(6)C1 s(2.27%)p4.68(10.60%)d38.46(87.14%) 0.000414754 - 1.439278838
103 RY*(7)C1 s(0.59%)p22.16(13.08%)d99.99(86.33%) 0.000294108 - 1.227534078
104 RY*(8)C1 s(9.00%)p8.00(72.00%)d2.11(19.00%) 0.000220675 - 3.035380461
105 RY*(9)C1 s(12.84%)p5.23(67.09%)d1.56(20.07%) 0.000148708 - 1.153627305
106 RY*(10)C1 s(0.13%)p99.99(19.35%)d99.99(80.52%) 0.000142857 - 2.520115802
107 RY*(11)C1 s(13.22%)p5.33(70.41%)d1.24(16.37%) 0.000104471 - 2.956729519
108 RY*(12)C1 s(2.11%)p4.25(8.98%)d42.10(88.91%) 0.000058405 - 1.972794722
109 RY*(13)C1 s(0.31%)p99.99(61.03%)d99.99(38.66%) 0.000059600 - 1.474646243
110 RY*(14)C1 s(5.15%)p8.62(44.42%)d9.78(50.42%) 0.000039675 - 2.994861808
111 RY*(15)C1 s(0.35%)p20.13(7.09%)d99.99(92.56%) 0.000019601 - 3.398530598
112 RY*(16)C1 s(0.07%)p64.16(4.51%)d99.99(95.42%) 0.000013672 - 3.317563699
113 RY*(17)C1 s(0.02%)p99.99(19.08%)d99.99(80.90%) 0.000006105 - 1.533352659
114 RY*(18)C1 s(1.44%)p53.92(77.59%)d14.58(20.97%) 0.000013139 - 1.694118770
115 RY*(19)C1 s(69.61%)p0.39(27.17%)d0.05(3.22%) 0.000006287 - 2.533800567
116 RY*(20)C1 s(98.64%)p0.01(0.76%)d0.01(0.59%) 0.000001112 - 21.494652072
117 RY*(21)C1 s(0.01%)p1.00(98.94%)d0.01(1.05%) 0.000004972 - 3.244263226
118 RY*(22)C1 s(0.29%)p6.14(1.79%)d99.99(97.91%) 0.000001601 - 3.392043550
119 RY*(1)C2 s(12.76%)p6.80(86.76%)d0.04(0.48%) 0.016527587 - 1.030518855
120 RY*(2)C2 s(0.70%)p99.99(90.11%)d13.06(9.18%) 0.004002147 - 1.545112542
121 RY*(3)C2 s(4.61%)p4.07(18.79%)d16.60(76.60%) 0.001827103 - 2.696145819
122 RY*(4)C2 s(0.00%)p1.00(33.67%)d1.97(66.33%) 0.001454146 - 1.549422121
123 RY*(5)C2 s(30.26%)p0.48(14.50%)d1.83(55.24%) 0.001034578 - 2.245377538
124 RY*(6)C2 s(6.91%)p3.99(27.55%)d9.49(65.54%) 0.000494497 - 1.929159781
125 RY*(7)C2 s(0.03%)p99.99(33.06%)d99.99(66.91%) 0.000428293 - 1.984890996
126 RY*(8)C2 s(18.03%)p2.43(43.77%)d2.12(38.19%) 0.000322991 - 1.596082793
127 RY*(9)C2 s(26.60%)p0.79(21.01%)d1.97(52.39%) 0.000299928 - 1.852812398
128 RY*(10)C2 s(4.78%)p6.51(31.09%)d13.42(64.14%) 0.000174503 - 3.094212394
129 RY*(11)C2 s(2.96%)p17.67(52.26%)d15.15(44.78%) 0.000132444 - 1.747248331
130 RY*(12)C2 s(0.92%)p27.17(24.97%)d80.65(74.11%) 0.000102711 - 1.340983805
131 RY*(13)C2 s(0.78%)p52.67(41.18%)d74.23(58.04%) 0.000075274 - 1.300328610
132 RY*(14)C2 s(52.64%)p0.41(21.69%)d0.49(25.66%) 0.000058133 - 6.259568507
133 RY*(15)C2 s(13.73%)p1.61(22.11%)d4.68(64.17%) 0.000034280 - 5.910443681
134 RY*(16)C2 s(10.89%)p6.86(74.67%)d1.33(14.44%) 0.000019353 - 2.388254493
135 RY*(17)C2 s(0.22%)p99.99(32.06%)d99.99(67.72%) 0.000026755 - 2.240848455
136 RY*(18)C2 s(91.20%)p0.05(4.47%)d0.05(4.33%) 0.000002828 - 11.622026601
137 RY*(19)C2 s(0.01%)p99.99(37.34%)d99.99(62.64%) 0.000005361 - 2.014596011
138 RY*(20)C2 s(0.01%)p1.00(97.86%)d0.02(2.14%) 0.000001325 - 2.740832437
139 RY*(21)C2 s(14.74%)p0.08(1.11%)d5.71(84.15%) 0.000002990 - 4.222006479
140 RY*(22)C2 s(7.29%)p12.37(90.21%)d0.34(2.50%) 0.000007616 - 2.368578284
141 RY*(1)O3 s(0.10%)p99.99(98.32%)d16.32(1.58%) 0.003742791 - 0.917448658
142 RY*(2)O3 s(0.51%)p99.99(95.92%)d7.06(3.58%) 0.000877793 - 0.567359217
143 RY*(3)O3 s(67.95%)p0.45(30.85%)d0.02(1.19%) 0.000837953 - 1.617468257
144 RY*(4)O3 s(17.52%)p4.43(77.61%)d0.28(4.87%) 0.000308464 - 1.079971218
145 RY*(5)O3 s(0.61%)p99.99(66.07%)d54.62(33.32%) 0.000147679 - 1.333921140
146 RY*(6)O3 s(3.82%)p9.96(38.08%)d15.20(58.10%) 0.000100498 - 2.581873016
147 RY*(7)O3 s(11.92%)p2.02(24.03%)d5.37(64.05%) 0.000097558 - 2.211995440
148 RY*(8)O3 s(0.00%)p1.00(10.18%)d8.83(89.82%) 0.000067285 - 1.551983498
149 RY*(9)O3 s(0.01%)p1.00(87.01%)d0.15(12.98%) 0.000048879 - 1.681715179
150 RY*(10)O3 s(7.57%)p2.25(17.03%)d9.97(75.41%) 0.000034022 - 2.645265968
151 RY*(11)O3 s(0.01%)p99.99(98.90%)d91.52(1.08%) 0.000004564 - 5.255589638
152 RY*(12)O3 s(12.19%)p6.15(74.90%)d1.06(12.92%) 0.000011865 - 1.908299938
153 RY*(13)O3 s(64.08%)p0.03(2.17%)d0.53(33.75%) 0.000006776 - 1.277516212
154 RY*(14)O3 s(0.03%)p60.07(1.72%)d99.99(98.25%) 0.000001094 - 6.202850177
155 RY*(15)O3 s(99.97%)p0.00(0.02%)d0.00(0.00%) 0.000000140 - 49.474394476
156 RY*(16)O3 s(0.00%)p1.00(0.05%)d99.99(99.95%) 0.000000046 - 6.709571067
157 RY*(17)O3 s(0.00%)p1.00(0.93%)d99.99(99.07%) 0.000000524 - 1.798191610
158 RY*(18)O3 s(0.00%)p1.00(5.89%)d15.99(94.11%) 0.000000375 - 6.522700019
159 RY*(19)O3 s(13.26%)p5.23(69.39%)d1.31(17.36%) 0.000009761 - 4.364695478
160 RY*(20)O3 s(0.03%)p30.60(0.84%)d99.99(99.13%) 0.000001015 - 6.880015370
161 RY*(21)O3 s(0.00%)p1.00(99.82%)d0.00(0.18%) 0.000000179 - 5.014663979
162 RY*(22)O3 s(0.46%)p3.13(1.45%)d99.99(98.08%) 0.000000345 - 6.712504204
163 RY*(1)C4 s(2.00%)p45.52(91.15%)d3.42(6.84%) 0.007139922 - 1.348057251
164 RY*(2)C4 s(0.54%)p99.99(93.58%)d10.85(5.88%) 0.005152841 - 1.285566931
165 RY*(3)C4 s(51.09%)p0.18(9.22%)d0.78(39.69%) 0.001151229 - 1.826218271
166 RY*(4)C4 s(0.00%)p1.00(85.96%)d0.16(14.04%) 0.000946405 - 0.629239359
167 RY*(5)C4 s(16.83%)p0.43(7.16%)d4.52(76.01%) 0.000866732 - 2.035559333
168 RY*(6)C4 s(18.41%)p0.94(17.32%)d3.49(64.27%) 0.000686833 - 2.691741143
169 RY*(7)C4 s(0.00%)p1.00(2.33%)d41.91(97.67%) 0.000443640 - 2.780356790
170 RY*(8)C4 s(4.15%)p14.73(61.05%)d8.39(34.80%) 0.000275195 - 1.926562039
171 RY*(9)C4 s(0.00%)p1.00(11.21%)d7.92(88.78%) 0.000258805 - 1.755412415
172 RY*(10)C4 s(3.21%)p4.75(15.25%)d25.40(81.54%) 0.000153660 - 2.630075178
173 RY*(11)C4 s(4.65%)p3.23(15.02%)d17.28(80.33%) 0.000077592 - 2.856335479
174 RY*(12)C4 s(14.92%)p4.69(70.03%)d1.01(15.05%) 0.000076348 - 2.317913951
175 RY*(13)C4 s(38.20%)p1.11(42.48%)d0.51(19.32%) 0.000056076 - 2.177410669
176 RY*(14)C4 s(0.01%)p1.00(34.61%)d1.89(65.39%) 0.000050721 - 1.267107240
177 RY*(15)C4 s(26.94%)p2.16(58.15%)d0.55(14.92%) 0.000034258 - 3.991760333
178 RY*(16)C4 s(10.70%)p3.30(35.28%)d5.05(54.02%) 0.000039464 - 2.966912132
179 RY*(17)C4 s(1.14%)p71.60(81.59%)d15.16(17.27%) 0.000017955 - 1.673202110
180 RY*(18)C4 s(0.00%)p1.00(36.91%)d1.71(63.09%) 0.000000561 - 1.391086221
181 RY*(19)C4 s(0.00%)p1.00(96.72%)d0.03(3.28%) 0.000001366 - 2.847362044
182 RY*(20)C4 s(0.00%)p1.00(32.34%)d2.09(67.66%) 0.000002147 - 2.304577993
183 RY*(21)C4 s(97.22%)p0.01(0.83%)d0.02(1.95%) 0.000002504 - 19.053710412
184 RY*(22)C4 s(10.07%)p0.19(1.95%)d8.74(87.98%) 0.000001814 - 3.381091662
185 RY*(1)C5 s(0.22%)p99.99(93.05%)d29.98(6.73%) 0.006865740 - 1.304135294
186 RY*(2)C5 s(1.03%)p91.77(94.40%)d4.44(4.57%) 0.003058329 - 1.079526737
187 RY*(3)C5 s(65.72%)p0.04(2.33%)d0.49(31.95%) 0.001047059 - 1.534262126
188 RY*(4)C5 s(0.00%)p1.00(76.26%)d0.31(23.74%) 0.000837791 - 0.550716135
189 RY*(5)C5 s(5.68%)p8.00(45.48%)d8.59(48.83%) 0.000578523 - 2.273053391
190 RY*(6)C5 s(0.00%)p1.00(1.46%)d67.42(98.54%) 0.000358512 - 2.809055900
191 RY*(7)C5 s(16.23%)p0.35(5.72%)d4.81(78.04%) 0.000310103 - 1.743270631
192 RY*(8)C5 s(2.16%)p31.86(68.94%)d13.35(28.90%) 0.000189298 - 1.696237737
193 RY*(9)C5 s(27.00%)p1.61(43.39%)d1.10(29.61%) 0.000133393 - 2.011833775
194 RY*(10)C5 s(0.00%)p1.00(67.82%)d0.47(32.17%) 0.000116025 - 0.886557615
195 RY*(11)C5 s(6.25%)p9.35(58.44%)d5.65(35.31%) 0.000051147 - 4.056381390
196 RY*(12)C5 s(38.24%)p0.41(15.71%)d1.20(46.05%) 0.000055656 - 1.969188371
197 RY*(13)C5 s(6.39%)p2.10(13.41%)d12.54(80.20%) 0.000030279 - 2.796885404
198 RY*(14)C5 s(86.54%)p0.12(10.43%)d0.03(3.03%) 0.000003771 - 18.946689374
199 RY*(15)C5 s(3.33%)p17.63(58.65%)d11.43(38.02%) 0.000004864 - 1.745292856
200 RY*(16)C5 s(0.00%)p1.00(1.39%)d71.01(98.61%) 0.000008334 - 1.492874896
201 RY*(17)C5 s(0.00%)p1.00(44.92%)d1.23(55.08%) 0.000003441 - 0.822798360
202 RY*(18)C5 s(0.00%)p1.00(9.53%)d9.49(90.47%) 0.000000208 - 3.041738362
203 RY*(19)C5 s(0.00%)p1.00(98.66%)d0.01(1.34%) 0.000000628 - 2.852770611
204 RY*(20)C5 s(29.44%)p0.42(12.48%)d1.97(58.08%) 0.000009408 - 2.426227424
205 RY*(21)C5 s(9.22%)p8.28(76.34%)d1.57(14.44%) 0.000009033 - 3.433641239
206 RY*(22)C5 s(2.64%)p0.52(1.37%)d36.42(96.00%) 0.000002205 - 3.462155913
207 RY*(1)C6 s(0.16%)p99.99(88.94%)d68.82(10.90%) 0.006346019 - 1.256596611
208 RY*(2)C6 s(0.03%)p99.99(99.79%)d6.31(0.18%) 0.002159234 - 1.342276146
209 RY*(3)C6 s(0.00%)p1.00(78.64%)d0.27(21.36%) 0.000798210 - 0.479167738
210 RY*(4)C6 s(49.84%)p0.23(11.36%)d0.78(38.80%) 0.000734004 - 1.787606010
211 RY*(5)C6 s(5.57%)p7.73(43.04%)d9.22(51.39%) 0.000567030 - 1.783644574
212 RY*(6)C6 s(0.00%)p1.00(0.78%)d99.99(99.22%) 0.000338245 - 2.802125389
213 RY*(7)C6 s(51.15%)p0.33(16.89%)d0.62(31.97%) 0.000177277 - 2.591035458
214 RY*(8)C6 s(24.40%)p0.14(3.41%)d2.96(72.19%) 0.000113746 - 1.813188833
215 RY*(9)C6 s(23.98%)p1.01(24.19%)d2.16(51.82%) 0.000057786 - 1.769098793
216 RY*(10)C6 s(4.02%)p14.29(57.41%)d9.60(38.57%) 0.000044564 - 2.985707186
217 RY*(11)C6 s(4.83%)p9.30(44.90%)d10.41(50.27%) 0.000017249 - 1.975393578
218 RY*(12)C6 s(3.45%)p16.38(56.58%)d11.57(39.97%) 0.000020031 - 1.899800599
219 RY*(13)C6 s(8.33%)p9.33(77.73%)d1.67(13.94%) 0.000001516 - 2.385517938
220 RY*(14)C6 s(2.87%)p15.84(45.42%)d18.04(51.71%) 0.000007662 - 1.923748916
221 RY*(15)C6 s(0.22%)p87.15(19.51%)d99.99(80.26%) 0.000002238 - 1.823230255
222 RY*(16)C6 s(0.64%)p54.94(35.42%)d99.16(63.94%) 0.000005369 - 2.535611456
223 RY*(17)C6 s(97.11%)p0.02(1.98%)d0.01(0.92%) 0.000002110 - 19.742113688
224 RY*(18)C6 s(0.50%)p62.98(31.44%)d99.99(68.06%) 0.000004598 - 1.929298478
225 RY*(19)C6 s(20.41%)p0.78(15.94%)d3.12(63.66%) 0.000005760 - 2.733541834
226 RY*(20)C6 s(0.16%)p99.99(73.65%)d99.99(26.19%) 0.000001962 - 0.761654065
227 RY*(21)C6 s(0.28%)p99.99(67.44%)d99.99(32.29%) 0.000002691 - 2.277669131
228 RY*(22)C6 s(2.18%)p2.63(5.72%)d42.31(92.10%) 0.000001038 - 3.355511420
229 RY*(1)C7 s(1.38%)p65.42(90.27%)d6.05(8.35%) 0.006513954 - 1.258042633
230 RY*(2)C7 s(0.04%)p99.99(99.38%)d16.69(0.59%) 0.002170260 - 1.323568610
231 RY*(3)C7 s(45.68%)p0.05(2.15%)d1.14(52.17%) 0.000888439 - 1.691337320
232 RY*(4)C7 s(0.00%)p1.00(78.27%)d0.28(21.73%) 0.000826393 - 0.459937772
233 RY*(5)C7 s(0.00%)p1.00(50.91%)d0.96(49.09%) 0.000679527 - 1.383092891
234 RY*(6)C7 s(0.00%)p1.00(0.31%)d99.99(99.69%) 0.000375752 - 2.976447730
235 RY*(7)C7 s(54.33%)p0.32(17.30%)d0.52(28.37%) 0.000158578 - 2.499901795
236 RY*(8)C7 s(36.11%)p0.08(2.73%)d1.69(61.16%) 0.000120441 - 1.456505418
237 RY*(9)C7 s(0.12%)p99.99(76.32%)d99.99(23.56%) 0.000055335 - 2.708962817
238 RY*(10)C7 s(17.61%)p3.01(52.92%)d1.67(29.47%) 0.000038927 - 2.343710580
239 RY*(11)C7 s(10.75%)p1.94(20.88%)d6.36(68.37%) 0.000019790 - 3.437219000
240 RY*(12)C7 s(21.51%)p0.54(11.72%)d3.10(66.77%) 0.000013500 - 4.503026408
241 RY*(13)C7 s(17.03%)p2.19(37.28%)d2.68(45.68%) 0.000015191 - 2.756241716
242 RY*(14)C7 s(71.17%)p0.22(15.50%)d0.19(13.33%) 0.000000983 - 15.811273037
243 RY*(15)C7 s(0.00%)p1.00(18.71%)d4.34(81.29%) 0.000000228 - 1.222784602
244 RY*(16)C7 s(0.00%)p1.00(0.20%)d99.99(99.80%) 0.000000786 - 2.652065680
245 RY*(17)C7 s(0.00%)p1.00(99.47%)d0.01(0.53%) 0.000000289 - 0.369666976
246 RY*(18)C7 s(0.00%)p1.00(3.28%)d29.47(96.72%) 0.000000248 - 1.818143837
247 RY*(19)C7 s(11.68%)p3.79(44.27%)d3.77(44.05%) 0.000001567 - 3.485539243
248 RY*(20)C7 s(0.00%)p1.00(99.78%)d0.00(0.22%) 0.000000095 - 2.781382572
249 RY*(21)C7 s(6.71%)p10.56(70.86%)d3.35(22.44%) 0.000000225 - 1.341523258
250 RY*(22)C7 s(6.01%)p1.27(7.65%)d14.37(86.34%) 0.000000443 - 3.579041743
251 RY*(1)C8 s(0.20%)p99.99(89.87%)d48.84(9.92%) 0.006647919 - 1.242451651
252 RY*(2)C8 s(0.25%)p99.99(99.56%)d0.78(0.19%) 0.002171086 - 1.318325828
253 RY*(3)C8 s(0.00%)p1.00(80.71%)d0.24(19.29%) 0.000922339 - 0.438477232
254 RY*(4)C8 s(57.37%)p0.10(5.47%)d0.65(37.16%) 0.000754904 - 1.898978646
255 RY*(5)C8 s(0.79%)p55.59(44.00%)d69.76(55.21%) 0.000573313 - 1.713031825
256 RY*(6)C8 s(0.00%)p1.00(1.80%)d54.64(98.20%) 0.000348415 - 3.041865103
257 RY*(7)C8 s(52.49%)p0.27(14.32%)d0.63(33.19%) 0.000175510 - 2.394941074
258 RY*(8)C8 s(17.97%)p0.27(4.83%)d4.30(77.20%) 0.000110720 - 1.859353891
259 RY*(9)C8 s(0.00%)p1.00(27.34%)d2.66(72.66%) 0.000057075 - 1.180193551
260 RY*(10)C8 s(35.08%)p0.54(19.05%)d1.31(45.87%) 0.000061354 - 1.337176895
261 RY*(11)C8 s(0.32%)p99.99(63.89%)d99.99(35.78%) 0.000044684 - 3.086807772
262 RY*(12)C8 s(19.49%)p0.53(10.40%)d3.60(70.12%) 0.000013213 - 3.384517472
263 RY*(13)C8 s(7.78%)p4.96(38.56%)d6.90(53.66%) 0.000018648 - 2.924027207
264 RY*(14)C8 s(1.34%)p36.56(49.07%)d36.94(49.59%) 0.000013251 - 2.341188925
265 RY*(15)C8 s(11.69%)p5.96(69.70%)d1.59(18.60%) 0.000017565 - 1.981586565
266 RY*(16)C8 s(0.00%)p1.00(81.06%)d0.23(18.93%) 0.000000434 - 2.432304952
267 RY*(17)C8 s(0.00%)p1.00(24.03%)d3.16(75.96%) 0.000000138 - 1.463240202
268 RY*(18)C8 s(0.00%)p1.00(3.39%)d28.46(96.61%) 0.000000058 - 3.131421205
269 RY*(19)C8 s(7.22%)p10.72(77.38%)d2.13(15.40%) 0.000002038 - 2.057917058
270 RY*(20)C8 s(85.28%)p0.06(5.01%)d0.11(9.71%) 0.000001657 - 18.727805428
271 RY*(21)C8 s(0.00%)p1.00(81.69%)d0.22(18.31%) 0.000000463 - 0.624728917
272 RY*(22)C8 s(2.84%)p3.19(9.04%)d31.08(88.12%) 0.000000510 - 3.334351726
273 RY*(1)C9 s(0.71%)p99.99(90.82%)d11.87(8.47%) 0.005880911 - 1.298921792
274 RY*(2)C9 s(3.64%)p25.82(94.00%)d0.65(2.36%) 0.001797123 - 1.544213283
275 RY*(3)C9 s(0.03%)p99.99(82.06%)d99.99(17.92%) 0.001199451 - 0.456023485
276 RY*(4)C9 s(36.76%)p0.28(10.21%)d1.44(53.03%) 0.000891703 - 1.927265147
277 RY*(5)C9 s(14.76%)p2.93(43.26%)d2.84(41.98%) 0.000527493 - 1.803308924
278 RY*(6)C9 s(0.00%)p1.00(2.42%)d40.27(97.58%) 0.000424116 - 2.755095813
279 RY*(7)C9 s(17.22%)p1.53(26.42%)d3.27(56.37%) 0.000287140 - 1.298275607
280 RY*(8)C9 s(26.84%)p0.85(22.94%)d1.87(50.23%) 0.000163639 - 2.030651824
281 RY*(9)C9 s(15.31%)p2.00(30.67%)d3.53(54.03%) 0.000141208 - 2.322882796
282 RY*(10)C9 s(0.07%)p99.99(46.90%)d99.99(53.03%) 0.000104893 - 0.936648039
283 RY*(11)C9 s(13.63%)p3.46(47.19%)d2.87(39.18%) 0.000061786 - 2.906415161
284 RY*(12)C9 s(1.45%)p39.45(57.03%)d28.72(41.53%) 0.000051710 - 0.840378314
285 RY*(13)C9 s(8.41%)p2.68(22.55%)d8.21(69.04%) 0.000039037 - 3.155931030
286 RY*(14)C9 s(47.04%)p0.40(18.68%)d0.73(34.27%) 0.000034269 - 1.463966459
287 RY*(15)C9 s(2.05%)p44.68(91.73%)d3.03(6.22%) 0.000032889 - 2.775808051
288 RY*(16)C9 s(15.41%)p2.92(45.06%)d2.56(39.52%) 0.000013443 - 3.343398035
289 RY*(17)C9 s(11.70%)p3.89(45.52%)d3.65(42.77%) 0.000014159 - 3.292441486
290 RY*(18)C9 s(0.01%)p99.99(96.80%)d99.99(3.19%) 0.000000116 - 2.822156812
291 RY*(19)C9 s(0.01%)p1.00(4.48%)d21.31(95.51%) 0.000000226 - 2.299181899
292 RY*(20)C9 s(0.01%)p1.00(10.98%)d8.11(89.01%) 0.000000543 - 2.529873048
293 RY*(21)C9 s(84.75%)p0.11(9.69%)d0.07(5.56%) 0.000002160 - 17.959442017
294 RY*(22)C9 s(0.33%)p2.28(0.75%)d99.99(98.92%) 0.000003011 - 3.520167260
295 RY*(1)H10 s(99.08%)p0.01(0.92%) 0.000771477 - 1.305318412
296 RY*(2)H10 s(0.11%)p99.99(99.89%) 0.000192050 - 1.936200715
297 RY*(3)H10 s(93.23%)p0.07(6.77%) 0.000160253 - 2.001442936
298 RY*(4)H10 s(2.89%)p33.65(97.11%) 0.000060917 - 2.656580449
299 RY*(5)H10 s(4.73%)p20.13(95.27%) 0.000040250 - 2.689810933
300 RY*(1)H11 s(98.75%)p0.01(1.25%) 0.000553217 - 1.181086093
301 RY*(2)H11 s(0.00%)p1.00(100.00%) 0.000203594 - 1.909851109
302 RY*(3)H11 s(92.75%)p0.08(7.25%) 0.000153973 - 2.141699510
303 RY*(4)H11 s(0.18%)p99.99(99.82%) 0.000050357 - 2.561966779
304 RY*(5)H11 s(8.36%)p10.97(91.64%) 0.000035858 - 2.653654775
305 RY*(1)H12 s(97.52%)p0.03(2.48%) 0.000453163 - 1.166119397
306 RY*(2)H12 s(0.00%)p1.00(100.00%) 0.000198213 - 1.907495938
307 RY*(3)H12 s(94.29%)p0.06(5.71%) 0.000154469 - 2.138526599
308 RY*(4)H12 s(1.81%)p54.38(98.19%) 0.000045337 - 2.560266651
309 RY*(5)H12 s(6.43%)p14.56(93.57%) 0.000038934 - 2.601626312
310 RY*(1)H13 s(98.78%)p0.01(1.22%) 0.000542527 - 1.175136884
311 RY*(2)H13 s(0.00%)p1.00(100.00%) 0.000199641 - 1.913044393
312 RY*(3)H13 s(92.64%)p0.08(7.36%) 0.000160269 - 2.137156427
313 RY*(4)H13 s(2.66%)p36.66(97.34%) 0.000046190 - 2.576963405
314 RY*(5)H13 s(5.96%)p15.77(94.04%) 0.000041607 - 2.635607464
315 RY*(1)H14 s(97.29%)p0.03(2.71%) 0.001173491 - 1.411379795
316 RY*(2)H14 s(86.90%)p0.15(13.10%) 0.000191750 - 2.056830512
317 RY*(3)H14 s(0.00%)p1.00(100.00%) 0.000164288 - 1.952383308
318 RY*(4)H14 s(4.27%)p22.43(95.73%) 0.000067142 - 2.619481042
319 RY*(5)H14 s(11.58%)p7.63(88.42%) 0.000036746 - 2.548713329
320 RY*(1)C15 s(5.53%)p16.74(92.64%)d0.33(1.83%) 0.005013758 - 0.827834912
321 RY*(2)C15 s(0.06%)p99.99(96.74%)d49.79(3.20%) 0.004652381 - 0.811314255
322 RY*(3)C15 s(11.37%)p7.25(82.43%)d0.55(6.20%) 0.003747308 - 0.880712588
323 RY*(4)C15 s(67.52%)p0.32(21.54%)d0.16(10.94%) 0.001121766 - 1.065377259
324 RY*(5)C15 s(4.48%)p4.43(19.85%)d16.89(75.67%) 0.000554520 - 1.424534877
325 RY*(6)C15 s(1.92%)p2.64(5.06%)d48.51(93.02%) 0.000438742 - 1.701934346
326 RY*(7)C15 s(10.18%)p1.09(11.08%)d7.73(78.74%) 0.000317240 - 1.688274264
327 RY*(8)C15 s(10.39%)p6.57(68.28%)d2.05(21.33%) 0.000183150 - 2.895185349
328 RY*(9)C15 s(1.11%)p12.77(14.18%)d76.33(84.71%) 0.000147375 - 1.638236908
329 RY*(10)C15 s(4.02%)p7.36(29.59%)d16.52(66.39%) 0.000124267 - 2.508483799
330 RY*(11)C15 s(1.74%)p43.35(75.52%)d13.05(22.74%) 0.000096718 - 1.026323055
331 RY*(12)C15 s(11.89%)p6.06(72.02%)d1.35(16.09%) 0.000084963 - 0.904937712
332 RY*(13)C15 s(3.44%)p12.86(44.22%)d15.23(52.34%) 0.000073165 - 1.723290588
333 RY*(14)C15 s(4.17%)p15.36(64.09%)d7.60(31.73%) 0.000042410 - 2.716533719
334 RY*(15)C15 s(0.92%)p49.22(45.05%)d59.04(54.04%) 0.000048597 - 1.775010879
335 RY*(16)C15 s(0.16%)p42.24(6.80%)d99.99(93.04%) 0.000015265 - 3.475797086
336 RY*(17)C15 s(2.59%)p4.66(12.05%)d32.98(85.36%) 0.000019749 - 3.426784645
337 RY*(18)C15 s(53.49%)p0.50(26.84%)d0.37(19.67%) 0.000013963 - 1.604496735
338 RY*(19)C15 s(3.53%)p5.18(18.31%)d22.13(78.16%) 0.000011790 - 2.053767888
339 RY*(20)C15 s(97.77%)p0.02(2.01%)d0.00(0.22%) 0.000000372 - 22.610016588
340 RY*(21)C15 s(0.06%)p99.99(90.77%)d99.99(9.18%) 0.000002349 - 3.468940683
341 RY*(22)C15 s(3.61%)p0.39(1.42%)d26.35(94.97%) 0.000002767 - 3.552846866
342 RY*(1)C16 s(0.09%)p99.99(97.65%)d23.82(2.26%) 0.009775723 - 0.872254010
343 RY*(2)C16 s(6.69%)p13.24(88.55%)d0.71(4.76%) 0.006216724 - 1.125992486
344 RY*(3)C16 s(5.10%)p17.00(86.64%)d1.62(8.26%) 0.003921395 - 1.173474809
345 RY*(4)C16 s(0.80%)p23.06(18.46%)d99.99(80.74%) 0.001609443 - 2.002272307
346 RY*(5)C16 s(14.80%)p0.97(14.36%)d4.79(70.84%) 0.001391320 - 1.896083668
347 RY*(6)C16 s(7.12%)p3.57(25.39%)d9.48(67.49%) 0.001181877 - 1.939842045
348 RY*(7)C16 s(42.36%)p0.50(21.03%)d0.86(36.61%) 0.000793047 - 1.609344228
349 RY*(8)C16 s(21.58%)p0.44(9.46%)d3.20(68.96%) 0.000728249 - 2.454947746
350 RY*(9)C16 s(2.60%)p3.52(9.16%)d33.90(88.24%) 0.000564119 - 3.009757756
351 RY*(10)C16 s(6.21%)p1.62(10.07%)d13.48(83.72%) 0.000375521 - 2.182859224
352 RY*(11)C16 s(3.10%)p3.67(11.38%)d27.55(85.52%) 0.000322094 - 2.169559460
353 RY*(12)C16 s(11.40%)p5.64(64.29%)d2.13(24.31%) 0.000184541 - 2.024871570
354 RY*(13)C16 s(0.37%)p5.97(2.22%)d99.99(97.40%) 0.000130329 - 2.994664010
355 RY*(14)C16 s(8.89%)p7.34(65.21%)d2.92(25.91%) 0.000123063 - 2.415497941
356 RY*(15)C16 s(3.22%)p5.43(17.47%)d24.66(79.32%) 0.000042869 - 3.019271751
357 RY*(16)C16 s(6.86%)p11.86(81.35%)d1.72(11.79%) 0.000014163 - 3.154919228
358 RY*(17)C16 s(63.97%)p0.13(8.30%)d0.43(27.73%) 0.000018942 - 5.053786481
359 RY*(18)C16 s(12.65%)p5.83(73.74%)d1.08(13.62%) 0.000016394 - 5.024355440
360 RY*(19)C16 s(0.71%)p99.99(76.61%)d32.13(22.69%) 0.000004470 - 2.073818803
361 RY*(20)C16 s(0.12%)p99.99(98.70%)d10.02(1.18%) 0.000012632 - 2.495855608
362 RY*(21)C16 s(79.62%)p0.24(18.88%)d0.02(1.51%) 0.000002604 - 15.244036517
363 RY*(22)C16 s(1.78%)p0.89(1.59%)d54.17(96.63%) 0.000011464 - 3.109561568
364 RY*(1)C17 s(0.72%)p99.99(96.63%)d3.65(2.64%) 0.003410848 - 0.778235229
365 RY*(2)C17 s(0.12%)p99.99(90.97%)d75.81(8.92%) 0.001782023 - 0.775746688
366 RY*(3)C17 s(28.63%)p2.35(67.29%)d0.14(4.08%) 0.001140573 - 0.792871725
367 RY*(4)C17 s(5.53%)p3.00(16.58%)d14.09(77.89%) 0.000403980 - 1.117146248
368 RY*(5)C17 s(0.96%)p7.61(7.29%)d95.88(91.76%) 0.000319106 - 1.306491887
369 RY*(6)C17 s(11.98%)p4.29(51.34%)d3.06(36.68%) 0.000213292 - 1.028138330
370 RY*(7)C17 s(13.69%)p1.69(23.07%)d4.62(63.24%) 0.000148076 - 1.783214792
371 RY*(8)C17 s(3.07%)p7.86(24.15%)d23.68(72.78%) 0.000111601 - 1.412932302
372 RY*(9)C17 s(23.50%)p2.68(63.08%)d0.57(13.42%) 0.000078244 - 1.494386445
373 RY*(10)C17 s(23.67%)p2.33(55.10%)d0.90(21.22%) 0.000060481 - 1.371656054
374 RY*(11)C17 s(0.12%)p99.99(79.93%)d99.99(19.95%) 0.000002641 - 0.712862326
375 RY*(12)C17 s(0.01%)p1.00(95.69%)d0.04(4.30%) 0.000007502 - 3.020839426
376 RY*(13)C17 s(3.15%)p0.81(2.55%)d29.94(94.30%) 0.000009143 - 2.312608662
377 RY*(14)C17 s(0.45%)p14.83(6.67%)d99.99(92.88%) 0.000002925 - 3.315048354
378 RY*(15)C17 s(68.66%)p0.36(24.38%)d0.10(6.96%) 0.000006442 - 1.115821493
379 RY*(16)C17 s(0.06%)p32.46(1.81%)d99.99(98.13%) 0.000000744 - 3.329248400
380 RY*(17)C17 s(98.93%)p0.01(1.03%)d0.00(0.04%) 0.000000340 - 22.365810504
381 RY*(18)C17 s(0.46%)p11.02(5.02%)d99.99(94.53%) 0.000007591 - 3.043592586
382 RY*(19)C17 s(3.38%)p28.21(95.25%)d0.41(1.38%) 0.000009490 - 2.282238326
383 RY*(20)C17 s(11.79%)p6.87(80.96%)d0.61(7.25%) 0.000007134 - 2.253872617
384 RY*(21)C17 s(1.05%)p7.04(7.41%)d87.02(91.54%) 0.000005681 - 2.506662122
385 RY*(22)C17 s(0.14%)p31.19(4.22%)d99.99(95.65%) 0.000004406 - 3.334967986
386 RY*(1)H18 s(98.65%)p0.01(1.35%) 0.001131010 - 1.131713754
387 RY*(2)H18 s(83.67%)p0.20(16.33%) 0.000147310 - 1.945993969
388 RY*(3)H18 s(6.91%)p13.48(93.09%) 0.000123468 - 2.304350604
389 RY*(4)H18 s(2.29%)p42.66(97.71%) 0.000124371 - 1.970814395
390 RY*(5)H18 s(8.51%)p10.75(91.49%) 0.000033305 - 2.498634572
391 RY*(1)H19 s(96.52%)p0.04(3.48%) 0.000866087 - 0.989370334
392 RY*(2)H19 s(52.86%)p0.89(47.14%) 0.000161532 - 1.997959096
393 RY*(3)H19 s(43.44%)p1.30(56.56%) 0.000111455 - 2.321903978
394 RY*(4)H19 s(0.44%)p99.99(99.56%) 0.000099460 - 2.028090230
395 RY*(5)H19 s(6.77%)p13.76(93.23%) 0.000027630 - 2.578871676
396 RY*(1)H20 s(95.63%)p0.05(4.37%) 0.000857034 - 1.022776562
397 RY*(2)H20 s(65.48%)p0.53(34.52%) 0.000152785 - 1.973585794
398 RY*(3)H20 s(31.68%)p2.16(68.32%) 0.000113496 - 2.240613893
399 RY*(4)H20 s(1.30%)p75.76(98.70%) 0.000106012 - 2.058752991
400 RY*(5)H20 s(5.92%)p15.88(94.08%) 0.000027914 - 2.610070019
401 RY*(1)O21 s(2.33%)p41.30(96.19%)d0.64(1.48%) 0.004045855 - 0.955257466
402 RY*(2)O21 s(1.81%)p51.72(93.37%)d2.67(4.83%) 0.002573943 - 0.755427472
403 RY*(3)O21 s(37.65%)p1.55(58.50%)d0.10(3.85%) 0.001514820 - 1.271815947
404 RY*(4)O21 s(24.21%)p2.94(71.26%)d0.19(4.54%) 0.001210691 - 0.478672640
405 RY*(5)O21 s(9.91%)p7.12(70.50%)d1.98(19.59%) 0.000492030 - 1.373035701
406 RY*(6)O21 s(0.97%)p79.98(77.18%)d22.64(21.85%) 0.000438870 - 1.485572499
407 RY*(7)O21 s(14.88%)p3.64(54.13%)d2.08(30.98%) 0.000221474 - 1.906449834
408 RY*(8)O21 s(0.22%)p61.87(13.44%)d99.99(86.34%) 0.000126810 - 2.215115625
409 RY*(9)O21 s(11.39%)p1.62(18.46%)d6.16(70.16%) 0.000086476 - 2.395416379
410 RY*(10)O21 s(7.52%)p1.07(8.03%)d11.22(84.44%) 0.000085373 - 2.762514743
411 RY*(11)O21 s(9.45%)p2.16(20.38%)d7.43(70.18%) 0.000050484 - 3.778111821
412 RY*(12)O21 s(0.81%)p14.90(12.11%)d99.99(87.08%) 0.000019621 - 5.319570571
413 RY*(13)O21 s(4.77%)p2.20(10.49%)d17.75(84.74%) 0.000026777 - 3.411825793
414 RY*(14)O21 s(0.31%)p99.99(92.54%)d23.10(7.15%) 0.000003571 - 4.314826444
415 RY*(15)O21 s(66.56%)p0.09(6.19%)d0.41(27.24%) 0.000012803 - 2.085802225
416 RY*(16)O21 s(1.04%)p0.88(0.91%)d94.58(98.05%) 0.000000704 - 6.496707496
417 RY*(17)O21 s(1.79%)p48.76(87.05%)d6.26(11.17%) 0.000008498 - 4.518002411
418 RY*(18)O21 s(1.01%)p3.66(3.68%)d94.82(95.31%) 0.000008293 - 6.132154611
419 RY*(19)O21 s(99.76%)p0.00(0.08%)d0.00(0.17%) 0.000000163 - 49.233622727
420 RY*(20)O21 s(0.63%)p4.10(2.57%)d99.99(96.81%) 0.000001331 - 6.388945483
421 RY*(21)O21 s(2.61%)p36.87(96.16%)d0.47(1.24%) 0.000001126 - 4.915657689
422 RY*(22)O21 s(0.43%)p17.32(7.47%)d99.99(92.10%) 0.000003624 - 5.805567696
423 RY*(1)C22 s(7.77%)p9.16(71.13%)d2.72(21.10%) 0.003790537 - 0.827755433
424 RY*(2)C22 s(4.30%)p12.57(54.07%)d9.67(41.63%) 0.002571031 - 1.052545263
425 RY*(3)C22 s(1.08%)p66.96(72.56%)d24.32(26.36%) 0.001785945 - 1.239498677
426 RY*(4)C22 s(0.43%)p99.99(67.44%)d74.70(32.13%) 0.000848970 - 1.404332422
427 RY*(5)C22 s(12.51%)p4.75(59.43%)d2.24(28.06%) 0.000477826 - 1.348862922
428 RY*(6)C22 s(45.61%)p0.24(10.90%)d0.95(43.49%) 0.000376038 - 1.577270724
429 RY*(7)C22 s(14.49%)p2.04(29.51%)d3.87(56.00%) 0.000274663 - 1.498841577
430 RY*(8)C22 s(3.59%)p14.43(51.84%)d12.41(44.57%) 0.000149389 - 2.219486261
431 RY*(9)C22 s(4.62%)p7.18(33.16%)d13.48(62.22%) 0.000112343 - 1.391808859
432 RY*(10)C22 s(6.25%)p4.17(26.05%)d10.83(67.69%) 0.000099761 - 2.254425169
433 RY*(11)C22 s(0.34%)p65.11(21.94%)d99.99(77.72%) 0.000049554 - 2.367291787
434 RY*(12)C22 s(4.50%)p6.40(28.83%)d14.81(66.66%) 0.000029758 - 2.140483435
435 RY*(13)C22 s(3.47%)p22.78(78.96%)d5.07(17.58%) 0.000008518 - 2.451446921
436 RY*(14)C22 s(10.72%)p1.86(19.88%)d6.48(69.40%) 0.000012879 - 2.071950674
437 RY*(15)C22 s(3.72%)p5.22(19.40%)d20.68(76.88%) 0.000001387 - 2.856812692
438 RY*(16)C22 s(0.74%)p23.13(17.06%)d99.99(82.21%) 0.000003561 - 3.003176397
439 RY*(17)C22 s(97.86%)p0.01(1.01%)d0.01(1.14%) 0.000000826 - 22.390311105
440 RY*(18)C22 s(2.61%)p32.74(85.49%)d4.55(11.89%) 0.000005816 - 2.507618777
441 RY*(19)C22 s(63.09%)p0.48(30.24%)d0.11(6.68%) 0.000010485 - 0.969467666
442 RY*(20)C22 s(2.13%)p3.12(6.63%)d42.90(91.24%) 0.000006462 - 3.011726439
443 RY*(21)C22 s(1.87%)p31.31(58.43%)d21.28(39.71%) 0.000005892 - 1.247800791
444 RY*(22)C22 s(8.27%)p6.84(56.59%)d4.25(35.14%) 0.000003156 - 2.143838858
445 RY*(1)C23 s(7.12%)p10.34(73.63%)d2.70(19.25%) 0.003608909 - 0.834150920
446 RY*(2)C23 s(5.73%)p10.46(59.97%)d5.98(34.30%) 0.002438810 - 1.053944534
447 RY*(3)C23 s(4.07%)p15.84(64.51%)d7.71(31.42%) 0.001931684 - 1.359756203
448 RY*(4)C23 s(1.52%)p33.89(51.41%)d31.03(47.07%) 0.000749898 - 1.595572202
449 RY*(5)C23 s(12.57%)p3.12(39.19%)d3.84(48.24%) 0.000482210 - 1.313083001
450 RY*(6)C23 s(9.06%)p6.50(58.91%)d3.53(32.02%) 0.000405908 - 1.621592866
451 RY*(7)C23 s(40.48%)p0.40(16.07%)d1.07(43.45%) 0.000246184 - 1.428976668
452 RY*(8)C23 s(7.23%)p5.31(38.42%)d7.51(54.34%) 0.000169744 - 2.149456910
453 RY*(9)C23 s(3.91%)p7.09(27.72%)d17.50(68.38%) 0.000129158 - 2.394819959
454 RY*(10)C23 s(1.57%)p31.32(49.06%)d31.52(49.37%) 0.000088607 - 1.173035232
455 RY*(11)C23 s(5.12%)p6.54(33.46%)d12.01(61.42%) 0.000061921 - 2.299746558
456 RY*(12)C23 s(4.59%)p8.33(38.27%)d12.44(57.14%) 0.000019911 - 1.726542566
457 RY*(13)C23 s(2.25%)p12.06(27.20%)d31.29(70.55%) 0.000026741 - 2.471017054
458 RY*(14)C23 s(1.43%)p4.25(6.07%)d64.67(92.50%) 0.000002486 - 3.372703156
459 RY*(15)C23 s(4.98%)p10.80(53.79%)d8.28(41.23%) 0.000012003 - 2.025178936
460 RY*(16)C23 s(2.67%)p4.69(12.52%)d31.78(84.81%) 0.000002972 - 2.823682661
461 RY*(17)C23 s(10.16%)p7.21(73.21%)d1.64(16.63%) 0.000003775 - 2.682406746
462 RY*(18)C23 s(8.49%)p7.00(59.38%)d3.79(32.13%) 0.000005006 - 1.127748717
463 RY*(19)C23 s(98.31%)p0.01(1.41%)d0.00(0.28%) 0.000000568 - 22.554501668
464 RY*(20)C23 s(0.11%)p99.99(19.06%)d99.99(80.82%) 0.000002019 - 3.025299356
465 RY*(21)C23 s(7.65%)p9.12(69.73%)d2.96(22.62%) 0.000004664 - 1.993500229
466 RY*(22)C23 s(60.97%)p0.45(27.52%)d0.19(11.51%) 0.000010035 - 0.989646260
467 RY*(1)O24 s(4.59%)p20.28(93.13%)d0.50(2.27%) 0.004358816 - 0.842826628
468 RY*(2)O24 s(0.05%)p99.99(92.56%)d99.99(7.39%) 0.002276670 - 0.848127080
469 RY*(3)O24 s(26.87%)p2.67(71.82%)d0.05(1.31%) 0.001446690 - 1.216318568
470 RY*(4)O24 s(40.49%)p1.40(56.55%)d0.07(2.96%) 0.001149382 - 0.637958738
471 RY*(5)O24 s(4.69%)p17.18(80.64%)d3.12(14.66%) 0.000625754 - 1.302172243
472 RY*(6)O24 s(11.34%)p5.36(60.82%)d2.46(27.84%) 0.000494542 - 1.425689000
473 RY*(7)O24 s(4.95%)p16.09(79.64%)d3.11(15.41%) 0.000264029 - 1.665873817
474 RY*(8)O24 s(5.81%)p2.94(17.06%)d13.29(77.14%) 0.000114524 - 2.261701897
475 RY*(9)O24 s(0.95%)p13.79(13.11%)d90.42(85.94%) 0.000109881 - 2.658192828
476 RY*(10)O24 s(4.51%)p2.36(10.63%)d18.81(84.86%) 0.000080141 - 2.170573616
477 RY*(11)O24 s(45.41%)p0.10(4.67%)d1.10(49.92%) 0.000038753 - 4.393553206
478 RY*(12)O24 s(0.61%)p10.17(6.17%)d99.99(93.23%) 0.000035998 - 3.020141798
479 RY*(13)O24 s(3.93%)p3.94(15.51%)d20.49(80.56%) 0.000017270 - 2.237448387
480 RY*(14)O24 s(7.60%)p0.44(3.37%)d11.71(89.03%) 0.000005783 - 6.335017439
481 RY*(15)O24 s(99.76%)p0.00(0.06%)d0.00(0.18%) 0.000000189 - 49.107938153
482 RY*(16)O24 s(1.49%)p1.96(2.92%)d63.98(95.58%) 0.000004008 - 6.168215712
483 RY*(17)O24 s(1.14%)p83.99(95.84%)d2.65(3.02%) 0.000003897 - 4.859263132
484 RY*(18)O24 s(7.75%)p0.38(2.98%)d11.52(89.27%) 0.000003524 - 6.078659905
485 RY*(19)O24 s(0.57%)p99.99(94.05%)d9.48(5.39%) 0.000003933 - 4.641228228
486 RY*(20)O24 s(0.93%)p2.57(2.39%)d99.99(96.69%) 0.000002989 - 6.250060095
487 RY*(21)O24 s(1.81%)p51.03(92.38%)d3.21(5.81%) 0.000010097 - 4.930304927
488 RY*(22)O24 s(24.77%)p0.18(4.45%)d2.86(70.79%) 0.000004100 - 4.718967558
489 RY*(1)H25 s(98.92%)p0.01(1.08%) 0.000795336 - 0.707758554
490 RY*(2)H25 s(75.59%)p0.32(24.41%) 0.000257365 - 2.109838232
491 RY*(3)H25 s(18.12%)p4.52(81.88%) 0.000100883 - 2.168964609
492 RY*(4)H25 s(3.87%)p24.81(96.13%) 0.000039502 - 2.721712267
493 RY*(5)H25 s(3.54%)p27.25(96.46%) 0.000047609 - 2.445684765
494 RY*(1)H26 s(99.63%)p0.00(0.37%) 0.001468383 - 0.765210776
495 RY*(2)H26 s(67.40%)p0.48(32.60%) 0.000272689 - 2.067122655
496 RY*(3)H26 s(15.45%)p5.47(84.55%) 0.000107066 - 2.301534750
497 RY*(4)H26 s(9.66%)p9.35(90.34%) 0.000071923 - 2.298612062
498 RY*(5)H26 s(7.89%)p11.68(92.11%) 0.000049845 - 2.774057001
499 RY*(1)H27 s(99.50%)p0.00(0.50%) 0.001526783 - 0.815127410
500 RY*(2)H27 s(75.03%)p0.33(24.97%) 0.000325981 - 2.041183191
501 RY*(3)H27 s(16.48%)p5.07(83.52%) 0.000099574 - 2.179542144
502 RY*(4)H27 s(1.22%)p81.25(98.78%) 0.000062021 - 2.460075581
503 RY*(5)H27 s(7.80%)p11.82(92.20%) 0.000051675 - 2.684220741
504 RY*(1)H28 s(99.64%)p0.00(0.36%) 0.001092972 - 0.608393717
505 RY*(2)H28 s(77.71%)p0.29(22.29%) 0.000292891 - 2.154932899
506 RY*(3)H28 s(11.85%)p7.44(88.15%) 0.000093833 - 2.166822640
507 RY*(4)H28 s(2.16%)p45.24(97.84%) 0.000048127 - 2.454655473
508 RY*(5)H28 s(8.68%)p10.53(91.32%) 0.000043801 - 2.727258982
509 RY*(1)H29 s(97.76%)p0.02(2.24%) 0.001030460 - 1.106842982
510 RY*(2)H29 s(78.55%)p0.27(21.45%) 0.000232535 - 1.985442007
511 RY*(3)H29 s(1.70%)p57.80(98.30%) 0.000173185 - 2.333712399
512 RY*(4)H29 s(19.92%)p4.02(80.08%) 0.000093753 - 2.255684951
513 RY*(5)H29 s(2.10%)p46.69(97.90%) 0.000039979 - 2.860046608
514 RY*(1)H30 s(97.73%)p0.02(2.27%) 0.000996628 - 1.081323730
515 RY*(2)H30 s(77.38%)p0.29(22.62%) 0.000225064 - 2.024078863
516 RY*(3)H30 s(2.20%)p44.37(97.80%) 0.000175841 - 2.339693101
517 RY*(4)H30 s(20.67%)p3.84(79.33%) 0.000084980 - 2.255791786
518 RY*(5)H30 s(2.05%)p47.84(97.95%) 0.000039816 - 2.867900290
519 RY*(1)H31 s(98.97%)p0.01(1.03%) 0.001413542 - 1.278787366
520 RY*(2)H31 s(69.39%)p0.44(30.61%) 0.000286500 - 1.879320730
521 RY*(3)H31 s(10.62%)p8.42(89.38%) 0.000179678 - 2.253404948
522 RY*(4)H31 s(18.84%)p4.31(81.16%) 0.000085431 - 2.276676312
523 RY*(5)H31 s(2.20%)p44.41(97.80%) 0.000042351 - 2.766628347
524 RY*(1)H32 s(99.07%)p0.01(0.93%) 0.001512383 - 1.313739862
525 RY*(2)H32 s(73.90%)p0.35(26.10%) 0.000304473 - 1.855012149
526 RY*(3)H32 s(9.51%)p9.51(90.49%) 0.000169225 - 2.260229920
527 RY*(4)H32 s(15.82%)p5.32(84.18%) 0.000085651 - 2.278834737
528 RY*(5)H32 s(1.73%)p56.93(98.27%) 0.000044443 - 2.789138434

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-C2 589, 590 1.982800946 - -0.632268196
2 BD(1)C1-C15 591, 592 1.981143548 - -0.609605209
3 BD(1)C1-H31 593, 594 1.959755602 - -0.498464412
4 BD(1)C1-H32 595, 596 1.960198276 - -0.498429464
5 BD(1)C2-O3 597, 598 1.994172741 - -1.077787009
6 BD(2)C2-O3 599, 600 1.973607975 - -0.377577272
7 BD(1)C2-C4 601, 602 1.977151478 - -0.650550794
8 BD(1)C4-C5 603, 604 1.972725409 - -0.695052155
9 BD(1)C4-C9 605, 606 1.974662301 - -0.704398744
10 BD(2)C4-C9 607, 608 1.642991365 - -0.260216922
11 BD(1)C5-C6 609, 610 1.978994303 - -0.707989706
12 BD(2)C5-C6 611, 612 1.650165025 - -0.257646394
13 BD(1)C5-H14 613, 614 1.977195576 - -0.513092016
14 BD(1)C6-C7 615, 616 1.979324092 - -0.706232784
15 BD(1)C6-H13 617, 618 1.979508700 - -0.522030248
16 BD(1)C7-C8 619, 620 1.979212649 - -0.709013451
17 BD(2)C7-C8 621, 622 1.651791603 - -0.261262182
18 BD(1)C7-H12 623, 624 1.979790085 - -0.526190447
19 BD(1)C8-C9 625, 626 1.978565653 - -0.709542507
20 BD(1)C8-H11 627, 628 1.979425013 - -0.524924164
21 BD(1)C9-H10 629, 630 1.977891318 - -0.528724164
22 BD(1)C15-C16 631, 632 1.975662390 - -0.626885207
23 BD(1)C15-H29 633, 634 1.969324902 - -0.484911248
24 BD(1)C15-H30 635, 636 1.969960999 - -0.484667519
25 BD(1)C16-C17 637, 638 1.983383131 - -0.630859323
26 BD(1)C16-O21 639, 640 1.986973730 - -0.815108304
27 BD(1)C16-O24 641, 642 1.986529002 - -0.827773880
28 BD(1)C17-H18 643, 644 1.984902696 - -0.501127913
29 BD(1)C17-H19 645, 646 1.981413572 - -0.499775621
30 BD(1)C17-H20 647, 648 1.980535164 - -0.499024683
31 BD(1)O21-C22 649, 650 1.984355757 - -0.798659321
32 BD(1)C22-C23 651, 652 1.992351272 - -0.633995333
33 BD(1)C22-H27 653, 654 1.988173969 - -0.522784426
34 BD(1)C22-H28 655, 656 1.984872517 - -0.526976094
35 BD(1)C23-O24 657, 658 1.984236929 - -0.800944330
36 BD(1)C23-H25 659, 660 1.983958556 - -0.530996324
37 BD(1)C23-H26 661, 662 1.988490678 - -0.525996147
38 CR(1)C1 663 1.999177115 - -10.035773075
39 CR(1)C2 664 1.999254772 - -10.133630625
40 CR(1)O3 665 1.999756888 - -18.844656327
41 CR(1)C4 666 1.998925815 - -10.044085426
42 CR(1)C5 667 1.999066669 - -10.033509701
43 CR(1)C6 668 1.999150981 - -10.037880114
44 CR(1)C7 669 1.999150948 - -10.042527505
45 CR(1)C8 670 1.999153408 - -10.039793305
46 CR(1)C9 671 1.999078688 - -10.041129381
47 CR(1)C15 672 1.999106134 - -10.021089036
48 CR(1)C16 673 1.999140202 - -10.160188129
49 CR(1)C17 674 1.999203607 - -10.014859283
50 CR(1)O21 675 1.999743420 - -18.923560983
51 CR(1)C22 676 1.999218929 - -10.103422001
52 CR(1)C23 677 1.999221576 - -10.104288514
53 CR(1)O24 678 1.999742107 - -18.924899436
54 LP(1)O3 679 1.978996274 - -0.687083778
55 LP(2)O3 680 1.892548338 - -0.266049558
56 LP(1)O21 681 1.960564074 - -0.571168909
57 LP(2)O21 682 1.925924304 - -0.301309632
58 LP(1)O24 683 1.961361994 - -0.580496718
59 LP(2)O24 684 1.916612079 - -0.306908428
60 RY*(1)C1 685 0.004240908 - 0.899090454
61 RY*(2)C1 686 0.002394591 - 0.979638587
62 RY*(3)C1 687 0.001649575 - 0.968486557
63 RY*(4)C1 688 0.000916966 - 1.224747461
64 RY*(5)C1 689 0.000472701 - 1.417811926
65 RY*(6)C1 690 0.000414754 - 1.439278838
66 RY*(7)C1 691 0.000294108 - 1.227534078
67 RY*(8)C1 692 0.000220675 - 3.035380461
68 RY*(9)C1 693 0.000148708 - 1.153627305
69 RY*(10)C1 694 0.000142857 - 2.520115802
70 RY*(11)C1 695 0.000104471 - 2.956729519
71 RY*(12)C1 696 0.000058405 - 1.972794722
72 RY*(13)C1 697 0.000059600 - 1.474646243
73 RY*(14)C1 698 0.000039675 - 2.994861808
74 RY*(15)C1 699 0.000019601 - 3.398530598
75 RY*(16)C1 700 0.000013672 - 3.317563699
76 RY*(17)C1 701 0.000006105 - 1.533352659
77 RY*(18)C1 702 0.000013139 - 1.694118770
78 RY*(19)C1 703 0.000006286 - 2.533800567
79 RY*(20)C1 704 0.000001112 - 21.494652072
80 RY*(21)C1 705 0.000004972 - 3.244263226
81 RY*(22)C1 706 0.000001601 - 3.392043550
82 RY*(1)C2 707 0.016527587 - 1.030518855
83 RY*(2)C2 708 0.004002147 - 1.545112542
84 RY*(3)C2 709 0.001827103 - 2.696145819
85 RY*(4)C2 710 0.001454146 - 1.549422121
86 RY*(5)C2 711 0.001034578 - 2.245377538
87 RY*(6)C2 712 0.000494497 - 1.929159781
88 RY*(7)C2 713 0.000428293 - 1.984890996
89 RY*(8)C2 714 0.000322991 - 1.596082793
90 RY*(9)C2 715 0.000299928 - 1.852812398
91 RY*(10)C2 716 0.000174503 - 3.094212394
92 RY*(11)C2 717 0.000132444 - 1.747248331
93 RY*(12)C2 718 0.000102711 - 1.340983805
94 RY*(13)C2 719 0.000075274 - 1.300328610
95 RY*(14)C2 720 0.000058133 - 6.259568507
96 RY*(15)C2 721 0.000034280 - 5.910443681
97 RY*(16)C2 722 0.000019353 - 2.388254493
98 RY*(17)C2 723 0.000026755 - 2.240848455
99 RY*(18)C2 724 0.000002828 - 11.622026601
100 RY*(19)C2 725 0.000005361 - 2.014596011
101 RY*(20)C2 726 0.000001325 - 2.740832437
102 RY*(21)C2 727 0.000002990 - 4.222006479
103 RY*(22)C2 728 0.000007616 - 2.368578284
104 RY*(1)O3 729 0.003742791 - 0.917448658
105 RY*(2)O3 730 0.000877793 - 0.567359217
106 RY*(3)O3 731 0.000837953 - 1.617468257
107 RY*(4)O3 732 0.000308464 - 1.079971218
108 RY*(5)O3 733 0.000147679 - 1.333921140
109 RY*(6)O3 734 0.000100498 - 2.581873016
110 RY*(7)O3 735 0.000097558 - 2.211995440
111 RY*(8)O3 736 0.000067285 - 1.551983498
112 RY*(9)O3 737 0.000048879 - 1.681715179
113 RY*(10)O3 738 0.000034022 - 2.645265968
114 RY*(11)O3 739 0.000004564 - 5.255589638
115 RY*(12)O3 740 0.000011865 - 1.908299938
116 RY*(13)O3 741 0.000006776 - 1.277516212
117 RY*(14)O3 742 0.000001094 - 6.202850177
118 RY*(15)O3 743 0.000000140 - 49.474394476
119 RY*(16)O3 744 0.000000046 - 6.709571067
120 RY*(17)O3 745 0.000000524 - 1.798191610
121 RY*(18)O3 746 0.000000375 - 6.522700019
122 RY*(19)O3 747 0.000009761 - 4.364695478
123 RY*(20)O3 748 0.000001015 - 6.880015370
124 RY*(21)O3 749 0.000000179 - 5.014663979
125 RY*(22)O3 750 0.000000345 - 6.712504204
126 RY*(1)C4 751 0.007139922 - 1.348057251
127 RY*(2)C4 752 0.005152841 - 1.285566931
128 RY*(3)C4 753 0.001151229 - 1.826218271
129 RY*(4)C4 754 0.000946405 - 0.629239359
130 RY*(5)C4 755 0.000866732 - 2.035559333
131 RY*(6)C4 756 0.000686833 - 2.691741143
132 RY*(7)C4 757 0.000443640 - 2.780356790
133 RY*(8)C4 758 0.000275195 - 1.926562039
134 RY*(9)C4 759 0.000258805 - 1.755412415
135 RY*(10)C4 760 0.000153660 - 2.630075178
136 RY*(11)C4 761 0.000077592 - 2.856335479
137 RY*(12)C4 762 0.000076348 - 2.317913951
138 RY*(13)C4 763 0.000056076 - 2.177410669
139 RY*(14)C4 764 0.000050721 - 1.267107240
140 RY*(15)C4 765 0.000034258 - 3.991760333
141 RY*(16)C4 766 0.000039464 - 2.966912132
142 RY*(17)C4 767 0.000017955 - 1.673202110
143 RY*(18)C4 768 0.000000561 - 1.391086221
144 RY*(19)C4 769 0.000001366 - 2.847362044
145 RY*(20)C4 770 0.000002147 - 2.304577993
146 RY*(21)C4 771 0.000002504 - 19.053710412
147 RY*(22)C4 772 0.000001814 - 3.381091662
148 RY*(1)C5 773 0.006865740 - 1.304135294
149 RY*(2)C5 774 0.003058329 - 1.079526737
150 RY*(3)C5 775 0.001047059 - 1.534262126
151 RY*(4)C5 776 0.000837791 - 0.550716135
152 RY*(5)C5 777 0.000578523 - 2.273053391
153 RY*(6)C5 778 0.000358512 - 2.809055900
154 RY*(7)C5 779 0.000310103 - 1.743270631
155 RY*(8)C5 780 0.000189298 - 1.696237737
156 RY*(9)C5 781 0.000133393 - 2.011833775
157 RY*(10)C5 782 0.000116025 - 0.886557615
158 RY*(11)C5 783 0.000051147 - 4.056381390
159 RY*(12)C5 784 0.000055656 - 1.969188371
160 RY*(13)C5 785 0.000030279 - 2.796885404
161 RY*(14)C5 786 0.000003771 - 18.946689374
162 RY*(15)C5 787 0.000004864 - 1.745292856
163 RY*(16)C5 788 0.000008334 - 1.492874896
164 RY*(17)C5 789 0.000003441 - 0.822798360
165 RY*(18)C5 790 0.000000208 - 3.041738362
166 RY*(19)C5 791 0.000000628 - 2.852770611
167 RY*(20)C5 792 0.000009408 - 2.426227424
168 RY*(21)C5 793 0.000009033 - 3.433641239
169 RY*(22)C5 794 0.000002205 - 3.462155913
170 RY*(1)C6 795 0.006346019 - 1.256596611
171 RY*(2)C6 796 0.002159234 - 1.342276146
172 RY*(3)C6 797 0.000798210 - 0.479167738
173 RY*(4)C6 798 0.000734004 - 1.787606010
174 RY*(5)C6 799 0.000567030 - 1.783644574
175 RY*(6)C6 800 0.000338245 - 2.802125389
176 RY*(7)C6 801 0.000177277 - 2.591035458
177 RY*(8)C6 802 0.000113746 - 1.813188833
178 RY*(9)C6 803 0.000057786 - 1.769098793
179 RY*(10)C6 804 0.000044564 - 2.985707186
180 RY*(11)C6 805 0.000017249 - 1.975393578
181 RY*(12)C6 806 0.000020031 - 1.899800599
182 RY*(13)C6 807 0.000001516 - 2.385517938
183 RY*(14)C6 808 0.000007662 - 1.923748916
184 RY*(15)C6 809 0.000002238 - 1.823230255
185 RY*(16)C6 810 0.000005369 - 2.535611456
186 RY*(17)C6 811 0.000002110 - 19.742113688
187 RY*(18)C6 812 0.000004598 - 1.929298478
188 RY*(19)C6 813 0.000005760 - 2.733541834
189 RY*(20)C6 814 0.000001962 - 0.761654065
190 RY*(21)C6 815 0.000002691 - 2.277669131
191 RY*(22)C6 816 0.000001038 - 3.355511420
192 RY*(1)C7 817 0.006513954 - 1.258042633
193 RY*(2)C7 818 0.002170260 - 1.323568610
194 RY*(3)C7 819 0.000888439 - 1.691337320
195 RY*(4)C7 820 0.000826393 - 0.459937772
196 RY*(5)C7 821 0.000679527 - 1.383092891
197 RY*(6)C7 822 0.000375752 - 2.976447730
198 RY*(7)C7 823 0.000158578 - 2.499901795
199 RY*(8)C7 824 0.000120441 - 1.456505418
200 RY*(9)C7 825 0.000055335 - 2.708962817
201 RY*(10)C7 826 0.000038927 - 2.343710580
202 RY*(11)C7 827 0.000019790 - 3.437219000
203 RY*(12)C7 828 0.000013500 - 4.503026408
204 RY*(13)C7 829 0.000015191 - 2.756241716
205 RY*(14)C7 830 0.000000983 - 15.811273037
206 RY*(15)C7 831 0.000000228 - 1.222784602
207 RY*(16)C7 832 0.000000786 - 2.652065680
208 RY*(17)C7 833 0.000000289 - 0.369666976
209 RY*(18)C7 834 0.000000248 - 1.818143837
210 RY*(19)C7 835 0.000001567 - 3.485539243
211 RY*(20)C7 836 0.000000095 - 2.781382572
212 RY*(21)C7 837 0.000000225 - 1.341523258
213 RY*(22)C7 838 0.000000443 - 3.579041743
214 RY*(1)C8 839 0.006647919 - 1.242451651
215 RY*(2)C8 840 0.002171086 - 1.318325828
216 RY*(3)C8 841 0.000922339 - 0.438477232
217 RY*(4)C8 842 0.000754904 - 1.898978646
218 RY*(5)C8 843 0.000573313 - 1.713031825
219 RY*(6)C8 844 0.000348415 - 3.041865103
220 RY*(7)C8 845 0.000175510 - 2.394941074
221 RY*(8)C8 846 0.000110720 - 1.859353891
222 RY*(9)C8 847 0.000057075 - 1.180193551
223 RY*(10)C8 848 0.000061354 - 1.337176895
224 RY*(11)C8 849 0.000044684 - 3.086807772
225 RY*(12)C8 850 0.000013213 - 3.384517472
226 RY*(13)C8 851 0.000018648 - 2.924027207
227 RY*(14)C8 852 0.000013251 - 2.341188925
228 RY*(15)C8 853 0.000017565 - 1.981586565
229 RY*(16)C8 854 0.000000434 - 2.432304952
230 RY*(17)C8 855 0.000000138 - 1.463240202
231 RY*(18)C8 856 0.000000058 - 3.131421205
232 RY*(19)C8 857 0.000002038 - 2.057917058
233 RY*(20)C8 858 0.000001657 - 18.727805428
234 RY*(21)C8 859 0.000000463 - 0.624728917
235 RY*(22)C8 860 0.000000510 - 3.334351726
236 RY*(1)C9 861 0.005880911 - 1.298921792
237 RY*(2)C9 862 0.001797123 - 1.544213283
238 RY*(3)C9 863 0.001199451 - 0.456023485
239 RY*(4)C9 864 0.000891703 - 1.927265147
240 RY*(5)C9 865 0.000527493 - 1.803308924
241 RY*(6)C9 866 0.000424116 - 2.755095813
242 RY*(7)C9 867 0.000287140 - 1.298275607
243 RY*(8)C9 868 0.000163639 - 2.030651824
244 RY*(9)C9 869 0.000141208 - 2.322882796
245 RY*(10)C9 870 0.000104893 - 0.936648039
246 RY*(11)C9 871 0.000061786 - 2.906415161
247 RY*(12)C9 872 0.000051710 - 0.840378314
248 RY*(13)C9 873 0.000039037 - 3.155931030
249 RY*(14)C9 874 0.000034269 - 1.463966459
250 RY*(15)C9 875 0.000032889 - 2.775808051
251 RY*(16)C9 876 0.000013443 - 3.343398035
252 RY*(17)C9 877 0.000014159 - 3.292441486
253 RY*(18)C9 878 0.000000116 - 2.822156812
254 RY*(19)C9 879 0.000000226 - 2.299181899
255 RY*(20)C9 880 0.000000543 - 2.529873048
256 RY*(21)C9 881 0.000002160 - 17.959442017
257 RY*(22)C9 882 0.000003011 - 3.520167260
258 RY*(1)H10 883 0.000771477 - 1.305318412
259 RY*(2)H10 884 0.000192050 - 1.936200715
260 RY*(3)H10 885 0.000160253 - 2.001442936
261 RY*(4)H10 886 0.000060917 - 2.656580449
262 RY*(5)H10 887 0.000040250 - 2.689810933
263 RY*(1)H11 888 0.000553217 - 1.181086093
264 RY*(2)H11 889 0.000203594 - 1.909851109
265 RY*(3)H11 890 0.000153973 - 2.141699510
266 RY*(4)H11 891 0.000050357 - 2.561966779
267 RY*(5)H11 892 0.000035858 - 2.653654775
268 RY*(1)H12 893 0.000453163 - 1.166119397
269 RY*(2)H12 894 0.000198213 - 1.907495938
270 RY*(3)H12 895 0.000154469 - 2.138526599
271 RY*(4)H12 896 0.000045337 - 2.560266651
272 RY*(5)H12 897 0.000038934 - 2.601626312
273 RY*(1)H13 898 0.000542527 - 1.175136884
274 RY*(2)H13 899 0.000199641 - 1.913044393
275 RY*(3)H13 900 0.000160269 - 2.137156427
276 RY*(4)H13 901 0.000046190 - 2.576963405
277 RY*(5)H13 902 0.000041607 - 2.635607464
278 RY*(1)H14 903 0.001173491 - 1.411379795
279 RY*(2)H14 904 0.000191750 - 2.056830512
280 RY*(3)H14 905 0.000164288 - 1.952383308
281 RY*(4)H14 906 0.000067142 - 2.619481042
282 RY*(5)H14 907 0.000036746 - 2.548713329
283 RY*(1)C15 908 0.005013758 - 0.827834912
284 RY*(2)C15 909 0.004652381 - 0.811314255
285 RY*(3)C15 910 0.003747308 - 0.880712588
286 RY*(4)C15 911 0.001121766 - 1.065377259
287 RY*(5)C15 912 0.000554520 - 1.424534877
288 RY*(6)C15 913 0.000438742 - 1.701934346
289 RY*(7)C15 914 0.000317240 - 1.688274264
290 RY*(8)C15 915 0.000183150 - 2.895185349
291 RY*(9)C15 916 0.000147375 - 1.638236908
292 RY*(10)C15 917 0.000124267 - 2.508483799
293 RY*(11)C15 918 0.000096718 - 1.026323055
294 RY*(12)C15 919 0.000084963 - 0.904937712
295 RY*(13)C15 920 0.000073165 - 1.723290588
296 RY*(14)C15 921 0.000042410 - 2.716533719
297 RY*(15)C15 922 0.000048597 - 1.775010879
298 RY*(16)C15 923 0.000015265 - 3.475797086
299 RY*(17)C15 924 0.000019749 - 3.426784645
300 RY*(18)C15 925 0.000013963 - 1.604496735
301 RY*(19)C15 926 0.000011790 - 2.053767888
302 RY*(20)C15 927 0.000000372 - 22.610016588
303 RY*(21)C15 928 0.000002349 - 3.468940683
304 RY*(22)C15 929 0.000002767 - 3.552846866
305 RY*(1)C16 930 0.009775723 - 0.872254010
306 RY*(2)C16 931 0.006216724 - 1.125992486
307 RY*(3)C16 932 0.003921395 - 1.173474809
308 RY*(4)C16 933 0.001609443 - 2.002272307
309 RY*(5)C16 934 0.001391320 - 1.896083668
310 RY*(6)C16 935 0.001181877 - 1.939842045
311 RY*(7)C16 936 0.000793047 - 1.609344228
312 RY*(8)C16 937 0.000728249 - 2.454947746
313 RY*(9)C16 938 0.000564119 - 3.009757756
314 RY*(10)C16 939 0.000375521 - 2.182859224
315 RY*(11)C16 940 0.000322094 - 2.169559460
316 RY*(12)C16 941 0.000184541 - 2.024871571
317 RY*(13)C16 942 0.000130329 - 2.994664010
318 RY*(14)C16 943 0.000123063 - 2.415497941
319 RY*(15)C16 944 0.000042869 - 3.019271751
320 RY*(16)C16 945 0.000014163 - 3.154919228
321 RY*(17)C16 946 0.000018942 - 5.053786481
322 RY*(18)C16 947 0.000016394 - 5.024355440
323 RY*(19)C16 948 0.000004470 - 2.073818803
324 RY*(20)C16 949 0.000012632 - 2.495855608
325 RY*(21)C16 950 0.000002604 - 15.244036517
326 RY*(22)C16 951 0.000011464 - 3.109561568
327 RY*(1)C17 952 0.003410848 - 0.778235229
328 RY*(2)C17 953 0.001782023 - 0.775746688
329 RY*(3)C17 954 0.001140573 - 0.792871725
330 RY*(4)C17 955 0.000403980 - 1.117146248
331 RY*(5)C17 956 0.000319106 - 1.306491887
332 RY*(6)C17 957 0.000213292 - 1.028138330
333 RY*(7)C17 958 0.000148076 - 1.783214792
334 RY*(8)C17 959 0.000111601 - 1.412932302
335 RY*(9)C17 960 0.000078244 - 1.494386445
336 RY*(10)C17 961 0.000060481 - 1.371656054
337 RY*(11)C17 962 0.000002641 - 0.712862326
338 RY*(12)C17 963 0.000007502 - 3.020839426
339 RY*(13)C17 964 0.000009143 - 2.312608662
340 RY*(14)C17 965 0.000002925 - 3.315048354
341 RY*(15)C17 966 0.000006442 - 1.115821493
342 RY*(16)C17 967 0.000000744 - 3.329248400
343 RY*(17)C17 968 0.000000340 - 22.365810504
344 RY*(18)C17 969 0.000007591 - 3.043592586
345 RY*(19)C17 970 0.000009490 - 2.282238326
346 RY*(20)C17 971 0.000007134 - 2.253872617
347 RY*(21)C17 972 0.000005681 - 2.506662122
348 RY*(22)C17 973 0.000004406 - 3.334967986
349 RY*(1)H18 974 0.001131010 - 1.131713754
350 RY*(2)H18 975 0.000147310 - 1.945993969
351 RY*(3)H18 976 0.000123468 - 2.304350604
352 RY*(4)H18 977 0.000124371 - 1.970814395
353 RY*(5)H18 978 0.000033305 - 2.498634572
354 RY*(1)H19 979 0.000866087 - 0.989370334
355 RY*(2)H19 980 0.000161532 - 1.997959096
356 RY*(3)H19 981 0.000111455 - 2.321903978
357 RY*(4)H19 982 0.000099460 - 2.028090230
358 RY*(5)H19 983 0.000027630 - 2.578871676
359 RY*(1)H20 984 0.000857034 - 1.022776562
360 RY*(2)H20 985 0.000152785 - 1.973585794
361 RY*(3)H20 986 0.000113496 - 2.240613893
362 RY*(4)H20 987 0.000106012 - 2.058752991
363 RY*(5)H20 988 0.000027914 - 2.610070019
364 RY*(1)O21 989 0.004045855 - 0.955257466
365 RY*(2)O21 990 0.002573943 - 0.755427472
366 RY*(3)O21 991 0.001514820 - 1.271815947
367 RY*(4)O21 992 0.001210691 - 0.478672640
368 RY*(5)O21 993 0.000492030 - 1.373035701
369 RY*(6)O21 994 0.000438870 - 1.485572499
370 RY*(7)O21 995 0.000221474 - 1.906449834
371 RY*(8)O21 996 0.000126810 - 2.215115625
372 RY*(9)O21 997 0.000086476 - 2.395416379
373 RY*(10)O21 998 0.000085373 - 2.762514743
374 RY*(11)O21 999 0.000050484 - 3.778111821
375 RY*(12)O21 1000 0.000019621 - 5.319570571
376 RY*(13)O21 1001 0.000026777 - 3.411825793
377 RY*(14)O21 1002 0.000003571 - 4.314826444
378 RY*(15)O21 1003 0.000012803 - 2.085802225
379 RY*(16)O21 1004 0.000000704 - 6.496707496
380 RY*(17)O21 1005 0.000008498 - 4.518002411
381 RY*(18)O21 1006 0.000008293 - 6.132154611
382 RY*(19)O21 1007 0.000000163 - 49.233622727
383 RY*(20)O21 1008 0.000001331 - 6.388945483
384 RY*(21)O21 1009 0.000001126 - 4.915657689
385 RY*(22)O21 1010 0.000003624 - 5.805567696
386 RY*(1)C22 1011 0.003790537 - 0.827755433
387 RY*(2)C22 1012 0.002571031 - 1.052545263
388 RY*(3)C22 1013 0.001785945 - 1.239498677
389 RY*(4)C22 1014 0.000848970 - 1.404332422
390 RY*(5)C22 1015 0.000477826 - 1.348862922
391 RY*(6)C22 1016 0.000376038 - 1.577270724
392 RY*(7)C22 1017 0.000274663 - 1.498841577
393 RY*(8)C22 1018 0.000149389 - 2.219486261
394 RY*(9)C22 1019 0.000112343 - 1.391808859
395 RY*(10)C22 1020 0.000099761 - 2.254425169
396 RY*(11)C22 1021 0.000049554 - 2.367291787
397 RY*(12)C22 1022 0.000029758 - 2.140483435
398 RY*(13)C22 1023 0.000008518 - 2.451446921
399 RY*(14)C22 1024 0.000012879 - 2.071950674
400 RY*(15)C22 1025 0.000001387 - 2.856812692
401 RY*(16)C22 1026 0.000003561 - 3.003176397
402 RY*(17)C22 1027 0.000000826 - 22.390311105
403 RY*(18)C22 1028 0.000005816 - 2.507618777
404 RY*(19)C22 1029 0.000010485 - 0.969467666
405 RY*(20)C22 1030 0.000006462 - 3.011726439
406 RY*(21)C22 1031 0.000005892 - 1.247800791
407 RY*(22)C22 1032 0.000003156 - 2.143838858
408 RY*(1)C23 1033 0.003608909 - 0.834150920
409 RY*(2)C23 1034 0.002438810 - 1.053944534
410 RY*(3)C23 1035 0.001931684 - 1.359756203
411 RY*(4)C23 1036 0.000749898 - 1.595572202
412 RY*(5)C23 1037 0.000482210 - 1.313083001
413 RY*(6)C23 1038 0.000405908 - 1.621592866
414 RY*(7)C23 1039 0.000246184 - 1.428976668
415 RY*(8)C23 1040 0.000169744 - 2.149456910
416 RY*(9)C23 1041 0.000129158 - 2.394819959
417 RY*(10)C23 1042 0.000088607 - 1.173035232
418 RY*(11)C23 1043 0.000061921 - 2.299746558
419 RY*(12)C23 1044 0.000019911 - 1.726542566
420 RY*(13)C23 1045 0.000026741 - 2.471017054
421 RY*(14)C23 1046 0.000002486 - 3.372703156
422 RY*(15)C23 1047 0.000012003 - 2.025178936
423 RY*(16)C23 1048 0.000002972 - 2.823682661
424 RY*(17)C23 1049 0.000003775 - 2.682406746
425 RY*(18)C23 1050 0.000005006 - 1.127748717
426 RY*(19)C23 1051 0.000000568 - 22.554501668
427 RY*(20)C23 1052 0.000002019 - 3.025299356
428 RY*(21)C23 1053 0.000004664 - 1.993500229
429 RY*(22)C23 1054 0.000010035 - 0.989646260
430 RY*(1)O24 1055 0.004358816 - 0.842826628
431 RY*(2)O24 1056 0.002276670 - 0.848127080
432 RY*(3)O24 1057 0.001446690 - 1.216318568
433 RY*(4)O24 1058 0.001149382 - 0.637958738
434 RY*(5)O24 1059 0.000625754 - 1.302172243
435 RY*(6)O24 1060 0.000494542 - 1.425689000
436 RY*(7)O24 1061 0.000264029 - 1.665873817
437 RY*(8)O24 1062 0.000114524 - 2.261701897
438 RY*(9)O24 1063 0.000109881 - 2.658192828
439 RY*(10)O24 1064 0.000080141 - 2.170573616
440 RY*(11)O24 1065 0.000038753 - 4.393553206
441 RY*(12)O24 1066 0.000035998 - 3.020141798
442 RY*(13)O24 1067 0.000017270 - 2.237448387
443 RY*(14)O24 1068 0.000005783 - 6.335017439
444 RY*(15)O24 1069 0.000000189 - 49.107938153
445 RY*(16)O24 1070 0.000004008 - 6.168215712
446 RY*(17)O24 1071 0.000003897 - 4.859263132
447 RY*(18)O24 1072 0.000003524 - 6.078659905
448 RY*(19)O24 1073 0.000003933 - 4.641228228
449 RY*(20)O24 1074 0.000002989 - 6.250060095
450 RY*(21)O24 1075 0.000010097 - 4.930304927
451 RY*(22)O24 1076 0.000004100 - 4.718967558
452 RY*(1)H25 1077 0.000795336 - 0.707758554
453 RY*(2)H25 1078 0.000257365 - 2.109838232
454 RY*(3)H25 1079 0.000100883 - 2.168964609
455 RY*(4)H25 1080 0.000039502 - 2.721712267
456 RY*(5)H25 1081 0.000047609 - 2.445684765
457 RY*(1)H26 1082 0.001468383 - 0.765210776
458 RY*(2)H26 1083 0.000272689 - 2.067122655
459 RY*(3)H26 1084 0.000107066 - 2.301534750
460 RY*(4)H26 1085 0.000071923 - 2.298612062
461 RY*(5)H26 1086 0.000049845 - 2.774057001
462 RY*(1)H27 1087 0.001526783 - 0.815127410
463 RY*(2)H27 1088 0.000325981 - 2.041183191
464 RY*(3)H27 1089 0.000099574 - 2.179542144
465 RY*(4)H27 1090 0.000062021 - 2.460075581
466 RY*(5)H27 1091 0.000051675 - 2.684220741
467 RY*(1)H28 1092 0.001092972 - 0.608393717
468 RY*(2)H28 1093 0.000292891 - 2.154932899
469 RY*(3)H28 1094 0.000093833 - 2.166822640
470 RY*(4)H28 1095 0.000048127 - 2.454655473
471 RY*(5)H28 1096 0.000043801 - 2.727258982
472 RY*(1)H29 1097 0.001030460 - 1.106842982
473 RY*(2)H29 1098 0.000232535 - 1.985442007
474 RY*(3)H29 1099 0.000173185 - 2.333712399
475 RY*(4)H29 1100 0.000093753 - 2.255684951
476 RY*(5)H29 1101 0.000039979 - 2.860046608
477 RY*(1)H30 1102 0.000996628 - 1.081323730
478 RY*(2)H30 1103 0.000225064 - 2.024078863
479 RY*(3)H30 1104 0.000175841 - 2.339693101
480 RY*(4)H30 1105 0.000084980 - 2.255791786
481 RY*(5)H30 1106 0.000039816 - 2.867900290
482 RY*(1)H31 1107 0.001413542 - 1.278787366
483 RY*(2)H31 1108 0.000286500 - 1.879320730
484 RY*(3)H31 1109 0.000179678 - 2.253404948
485 RY*(4)H31 1110 0.000085431 - 2.276676312
486 RY*(5)H31 1111 0.000042351 - 2.766628347
487 RY*(1)H32 1112 0.001512383 - 1.313739862
488 RY*(2)H32 1113 0.000304473 - 1.855012149
489 RY*(3)H32 1114 0.000169225 - 2.260229920
490 RY*(4)H32 1115 0.000085651 - 2.278834737
491 RY*(5)H32 1116 0.000044443 - 2.789138434
492 BD*(1)C1-C2 0.058757159 - 0.392350650
493 BD*(1)C1-C15 0.011370052 - 0.396728139
494 BD*(1)C1-H31 0.014717834 - 0.388279704
495 BD*(1)C1-H32 0.014603138 - 0.390161984
496 BD*(1)C2-O3 0.010836649 - 0.599683391
497 BD*(2)C2-O3 0.134425827 - 0.015190561
498 BD*(1)C2-C4 0.067026224 - 0.426194117
499 BD*(1)C4-C5 0.022363168 - 0.557449332
500 BD*(1)C4-C9 0.023121340 - 0.559096821
501 BD*(2)C4-C9 0.367918569 - 0.022127315
502 BD*(1)C5-C6 0.015015840 - 0.574757444
503 BD*(2)C5-C6 0.286536177 - 0.027559735
504 BD*(1)C5-H14 0.015438992 - 0.442559082
505 BD*(1)C6-C7 0.016759000 - 0.560952577
506 BD*(1)C6-H13 0.014544277 - 0.428438960
507 BD*(1)C7-C8 0.016335875 - 0.563225846
508 BD*(2)C7-C8 0.323153344 - 0.020348348
509 BD*(1)C7-H12 0.013899417 - 0.426499034
510 BD*(1)C8-C9 0.015939032 - 0.566380957
511 BD*(1)C8-H11 0.014180228 - 0.424451285
512 BD*(1)C9-H10 0.014415809 - 0.427586447
513 BD*(1)C15-C16 0.037349694 - 0.387282229
514 BD*(1)C15-H29 0.012638151 - 0.406399189
515 BD*(1)C15-H30 0.012131887 - 0.406944927
516 BD*(1)C16-C17 0.038938765 - 0.371308857
517 BD*(1)C16-O21 0.071778233 - 0.262258172
518 BD*(1)C16-O24 0.063624175 - 0.272870985
519 BD*(1)C17-H18 0.005364264 - 0.401911330
520 BD*(1)C17-H19 0.006693790 - 0.402328970
521 BD*(1)C17-H20 0.005948123 - 0.403046720
522 BD*(1)O21-C22 0.016571777 - 0.285883135
523 BD*(1)C22-C23 0.024969136 - 0.351565986
524 BD*(1)C22-H27 0.029073889 - 0.374778419
525 BD*(1)C22-H28 0.019160721 - 0.382334796
526 BD*(1)C23-O24 0.017599829 - 0.284782864
527 BD*(1)C23-H25 0.015573055 - 0.383371321
528 BD*(1)C23-H26 0.029584013 - 0.372151992

Quote

THERE IS AN OLD, OLD RECIPE IN MAINE FOR STEWING COOT. PLACE THE BIRD IN A KETTLE OF WATER WITH A RED BUILDING BRICK FREE OF MORTAR AND BLEMISHES. PARBOIL THE COOT AND BRICK TOGETHER FOR THREE HOURS. POUR OFF THE WATER, REFILL THE KETTLE, AND AGAIN PARBOIL FOR THREE HOURS. ONCE AGAIN POUR OFF THE WATER, FOR THE LAST TIME ADD FRESH WATER, AND LET THE COOT AND BRICK SIMMER TOGETHER OVERNIGHT. IN THE MORNING, THROW AWAY THE COOT AND EAT THE BRICK.