WebMO Job Summary

199569: C14H10 anthracene, Natural Bond Orbitals - Gaussian

Calculated Quantities

Expand all

Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)
Method B3LYP
Stoichiometry C14H10
Symmetry D2H
Basis 6-311+G(2d,p)
RB3LYP Energy -539.675719691 Hartree
Dipole Moment 0.0000 Debye
Server class (200623)
CPU time 184.4 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 2.1571877 0.07195603633
b 0.4538329 0.01513823607
c 0.3749502 0.01250699242

Partial Charges

Atom Symbol Charge
1 C -0.172190  
2 C -0.172190  
3 C -0.224398  
4 C 0.162407  
5 C 0.162407  
6 C -0.224398  
7 H 0.085123  
8 C 0.044468  
9 C 0.162407  
10 C 0.162407  
11 C 0.044468  
12 H 0.083945  
13 C -0.224398  
14 C -0.172190  
15 C -0.172190  
16 C -0.224398  
17 H 0.085123  
18 H 0.084852  
19 H 0.084852  
20 H 0.085123  
21 H 0.083945  
22 H 0.085123  
23 H 0.084852  
24 H 0.084852  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 B2U 2 - -10.18843
2 AG 2 - -10.18841
3 B1U 2 - -10.18803
4 B3G 2 - -10.188
5 B1U 2 - -10.1794
6 AG 2 - -10.17936
7 B2U 2 - -10.17926
8 AG 2 - -10.17926
9 B1U 2 - -10.1792
10 B3G 2 - -10.1792
11 AG 2 - -10.17853
12 B2U 2 - -10.17853
13 B1U 2 - -10.17817
14 B3G 2 - -10.17817
15 AG 2 - -0.89004
16 B2U 2 - -0.85858
17 AG 2 - -0.80966
18 B1U 2 - -0.79171
19 B3G 2 - -0.75939
20 B2U 2 - -0.74613
21 B1U 2 - -0.71111
22 AG 2 - -0.65229
23 B3G 2 - -0.62408
24 AG 2 - -0.60777
25 B2U 2 - -0.59813
26 B1U 2 - -0.54648
27 B2U 2 - -0.53045
28 AG 2 - -0.5126
29 AG 2 - -0.47126
30 B3G 2 - -0.47106
31 B1U 2 - -0.45799
32 B2U 2 - -0.45445
33 B3G 2 - -0.43213
34 B1U 2 - -0.42188
35 B2U 2 - -0.41586
36 B3U 2 - -0.40882
37 AG 2 - -0.39651
38 B1U 2 - -0.38616
39 B1G 2 - -0.37072
40 B2U 2 - -0.35446
41 B3G 2 - -0.34488
42 AG 2 - -0.33431
43 B3U 2 - -0.31303
44 B2G 2 - -0.30779
45 AU 2 - -0.26628
46 B1G 2 - -0.24935
47 B2G 2 - -0.2044
48 B3U 0 - -0.07377
49 AU 0 - -0.02696
50 B1G 0 - -0.00992
51 AG 0 - 0.00336
52 B3U 0 - 0.00795
53 B2U 0 - 0.0085
54 B1U 0 - 0.00978
55 B3G 0 - 0.02708
56 AG 0 - 0.02827
57 B1U 0 - 0.04643
58 AG 0 - 0.04753
59 B2G 0 - 0.04762
60 B2U 0 - 0.04832
61 B3U 0 - 0.05975
62 B2G 0 - 0.06077
63 B1G 0 - 0.06658
64 AG 0 - 0.07076
65 B3G 0 - 0.07144
66 B2U 0 - 0.07245
67 AU 0 - 0.09402
68 B3U 0 - 0.10138
69 B1U 0 - 0.10711
70 B1U 0 - 0.11246
71 B2U 0 - 0.11691
72 AG 0 - 0.11899
73 AU 0 - 0.12428
74 B2G 0 - 0.12993
75 B1G 0 - 0.13344
76 B3G 0 - 0.13462
77 B3G 0 - 0.14136
78 B3U 0 - 0.14208
79 AG 0 - 0.15076
80 B2U 0 - 0.16147
81 B1U 0 - 0.16388
82 AG 0 - 0.164
83 B2U 0 - 0.17502
84 B1G 0 - 0.17958
85 AU 0 - 0.18374
86 B3U 0 - 0.18763
87 B3G 0 - 0.18986
88 B1U 0 - 0.19084
89 B2U 0 - 0.19592
90 B2G 0 - 0.19603
91 B1U 0 - 0.19642
92 AG 0 - 0.19967
93 AG 0 - 0.20562
94 B3G 0 - 0.21226
95 B2G 0 - 0.21283
96 B1U 0 - 0.21301
97 AG 0 - 0.21677
98 B2U 0 - 0.22105
99 B2G 0 - 0.22915
100 B2U 0 - 0.23765
101 AG 0 - 0.24137
102 B3G 0 - 0.24159
103 B3G 0 - 0.24926
104 AU 0 - 0.25381
105 B1U 0 - 0.25968
106 B1U 0 - 0.26838
107 AG 0 - 0.27504
108 AG 0 - 0.27784
109 B1U 0 - 0.2783
110 B3G 0 - 0.28067
111 B2U 0 - 0.29
112 B3G 0 - 0.29921
113 AG 0 - 0.30133
114 B1U 0 - 0.30206
115 B2U 0 - 0.31967
116 B3G 0 - 0.32625
117 B1U 0 - 0.32631
118 B2U 0 - 0.33527
119 AG 0 - 0.33916
120 B2U 0 - 0.34207
121 B1U 0 - 0.35316
122 B2U 0 - 0.38519
123 B3G 0 - 0.38582
124 AG 0 - 0.39583
125 B1U 0 - 0.44332
126 AG 0 - 0.46727
127 B3U 0 - 0.46996
128 B2U 0 - 0.47264
129 B3G 0 - 0.4739
130 B1G 0 - 0.47531
131 AG 0 - 0.48577
132 B3U 0 - 0.49645
133 B1U 0 - 0.49735
134 B3G 0 - 0.49848
135 B2U 0 - 0.50695
136 AG 0 - 0.52604
137 B1U 0 - 0.52737
138 B2G 0 - 0.52911
139 B3G 0 - 0.53073
140 B1G 0 - 0.53379
141 B1U 0 - 0.53543
142 B3U 0 - 0.53787
143 AU 0 - 0.55017
144 B3G 0 - 0.55399
145 B3U 0 - 0.55587
146 B1U 0 - 0.56474
147 B2U 0 - 0.57515
148 AG 0 - 0.58061
149 B1G 0 - 0.58424
150 B2G 0 - 0.58459
151 B3G 0 - 0.5877
152 B2U 0 - 0.59331
153 AG 0 - 0.62816
154 B3U 0 - 0.62968
155 B1G 0 - 0.63267
156 AU 0 - 0.63904
157 AG 0 - 0.65138
158 B1U 0 - 0.65408
159 B2U 0 - 0.6575
160 B3G 0 - 0.6614
161 B2G 0 - 0.665
162 B1G 0 - 0.66832
163 B3U 0 - 0.68423
164 AG 0 - 0.6843
165 B1U 0 - 0.68584
166 B2U 0 - 0.69674
167 AG 0 - 0.70812
168 B2G 0 - 0.72635
169 B1U 0 - 0.72728
170 AU 0 - 0.72872
171 B3G 0 - 0.74522
172 B3U 0 - 0.7485
173 AU 0 - 0.75463
174 B2G 0 - 0.75659
175 B1G 0 - 0.76655
176 B1U 0 - 0.77
177 AG 0 - 0.77954
178 B3G 0 - 0.796
179 AG 0 - 0.79844
180 B2U 0 - 0.79906
181 B1U 0 - 0.80579
182 B3G 0 - 0.80671
183 B2G 0 - 0.81481
184 B2U 0 - 0.81586
185 AG 0 - 0.82855
186 B1U 0 - 0.82902
187 B3G 0 - 0.83015
188 AG 0 - 0.83564
189 B1G 0 - 0.84718
190 B2U 0 - 0.85828
191 B2U 0 - 0.86792
192 B1U 0 - 0.87956
193 B3G 0 - 0.88658
194 AU 0 - 0.88968
195 B1U 0 - 0.89799
196 B3U 0 - 0.90092
197 B3G 0 - 0.91381
198 B2U 0 - 0.94955
199 B1U 0 - 0.95832
200 B2U 0 - 0.98496
201 AG 0 - 0.99143
202 AG 0 - 1.00532
203 AG 0 - 1.03329
204 B3U 0 - 1.03387
205 AU 0 - 1.04156
206 B2U 0 - 1.0735
207 B2G 0 - 1.095
208 B3G 0 - 1.12549
209 B2U 0 - 1.13367
210 B1U 0 - 1.14333
211 B1G 0 - 1.15525
212 AG 0 - 1.17277
213 B3G 0 - 1.17735
214 B2G 0 - 1.17894
215 B3U 0 - 1.18905
216 AG 0 - 1.19143
217 B1G 0 - 1.22604
218 B1U 0 - 1.23046
219 AU 0 - 1.23539
220 B3U 0 - 1.24836
221 B1U 0 - 1.24891
222 B3G 0 - 1.25219
223 B2U 0 - 1.25246
224 AG 0 - 1.26962
225 B1U 0 - 1.29037
226 B2G 0 - 1.2985
227 AU 0 - 1.30459
228 B1G 0 - 1.3135
229 B3G 0 - 1.316
230 B2U 0 - 1.31665
231 B1U 0 - 1.31993
232 AG 0 - 1.33453
233 B3G 0 - 1.34604
234 B2U 0 - 1.37109
235 B3G 0 - 1.38336
236 B1U 0 - 1.38632
237 AG 0 - 1.41023
238 B1U 0 - 1.43333
239 B3G 0 - 1.43691
240 B2G 0 - 1.44479
241 B1U 0 - 1.50453
242 B2U 0 - 1.50615
243 B3G 0 - 1.5133
244 AG 0 - 1.53297
245 AU 0 - 1.54673
246 B1U 0 - 1.56596
247 AG 0 - 1.56837
248 B2G 0 - 1.57155
249 B2U 0 - 1.58235
250 B1U 0 - 1.59713
251 B2U 0 - 1.5987
252 B3G 0 - 1.60736
253 B2U 0 - 1.61544
254 AG 0 - 1.64044
255 B3U 0 - 1.68484
256 B1G 0 - 1.68969
257 AU 0 - 1.72181
258 AG 0 - 1.7399
259 B3G 0 - 1.76806
260 B1U 0 - 1.76899
261 B2U 0 - 1.83065
262 B2G 0 - 1.83549
263 B3U 0 - 1.85365
264 B1U 0 - 1.87542
265 B3G 0 - 1.89718
266 AG 0 - 1.90331
267 AU 0 - 1.91783
268 B3G 0 - 1.93666
269 B1G 0 - 1.95414
270 B2G 0 - 2.00622
271 B3U 0 - 2.01074
272 B1U 0 - 2.03512
273 B3G 0 - 2.08612
274 B1U 0 - 2.0912
275 AG 0 - 2.13707
276 B2U 0 - 2.15454
277 AU 0 - 2.16107
278 B2G 0 - 2.17468
279 B2U 0 - 2.24954
280 AG 0 - 2.25312
281 B1U 0 - 2.35131
282 B2U 0 - 2.3639
283 B3G 0 - 2.38549
284 AG 0 - 2.52418
285 B2U 0 - 2.54739
286 B3G 0 - 2.59011
287 AG 0 - 2.59825
288 B3U 0 - 2.62809
289 B3G 0 - 2.63424
290 B1G 0 - 2.64083
291 B1U 0 - 2.65822
292 B2U 0 - 2.65884
293 AG 0 - 2.67434
294 B3U 0 - 2.68265
295 B1U 0 - 2.68994
296 B3G 0 - 2.6909
297 B1U 0 - 2.71007
298 AG 0 - 2.74806
299 B1U 0 - 2.76084
300 B2U 0 - 2.76601
301 B3G 0 - 2.7715
302 B1U 0 - 2.77775
303 B3G 0 - 2.7907
304 AU 0 - 2.80626
305 B2G 0 - 2.818
306 B1G 0 - 2.82548
307 AG 0 - 2.83883
308 AU 0 - 2.845
309 B3U 0 - 2.84675
310 B2G 0 - 2.84792
311 B2U 0 - 2.88194
312 AG 0 - 2.91588
313 B1G 0 - 2.92233
314 B3U 0 - 2.94235
315 B1G 0 - 3.05319
316 AG 0 - 3.06462
317 B3U 0 - 3.06466
318 B1U 0 - 3.06747
319 B2U 0 - 3.08718
320 B2G 0 - 3.10117
321 AU 0 - 3.1046
322 AG 0 - 3.13446
323 B2U 0 - 3.13514
324 B2U 0 - 3.14534
325 B2G 0 - 3.14758
326 B3U 0 - 3.15715
327 B1U 0 - 3.16839
328 B1G 0 - 3.19374
329 AG 0 - 3.23199
330 B3G 0 - 3.23455
331 B2U 0 - 3.24399
332 B3G 0 - 3.24648
333 AU 0 - 3.25846
334 B1U 0 - 3.25876
335 AG 0 - 3.26149
336 B2G 0 - 3.26622
337 B3U 0 - 3.28504
338 B1U 0 - 3.2879
339 B1G 0 - 3.28911
340 B3G 0 - 3.31501
341 B2G 0 - 3.33918
342 B2U 0 - 3.35144
343 B1G 0 - 3.36883
344 AU 0 - 3.38449
345 B3U 0 - 3.41925
346 AG 0 - 3.4277
347 B2U 0 - 3.44866
348 AG 0 - 3.47179
349 AU 0 - 3.47878
350 B2U 0 - 3.49288
351 B3U 0 - 3.5102
352 B1U 0 - 3.51528
353 AG 0 - 3.52739
354 B3G 0 - 3.52897
355 B2G 0 - 3.53247
356 AG 0 - 3.58116
357 B1G 0 - 3.5837
358 AU 0 - 3.59268
359 B1U 0 - 3.59661
360 B1G 0 - 3.60663
361 B3U 0 - 3.62005
362 B2G 0 - 3.62043
363 B3U 0 - 3.63123
364 B3G 0 - 3.6321
365 B2U 0 - 3.64445
366 B2G 0 - 3.64504
367 AG 0 - 3.65078
368 B3G 0 - 3.67042
369 AG 0 - 3.6782
370 AU 0 - 3.68682
371 B1G 0 - 3.68822
372 B1U 0 - 3.71144
373 B2U 0 - 3.72144
374 B2G 0 - 3.74896
375 B3G 0 - 3.75189
376 B3G 0 - 3.7601
377 B2U 0 - 3.76975
378 B1U 0 - 3.78717
379 AU 0 - 3.79133
380 B1U 0 - 3.7981
381 B2G 0 - 3.80138
382 AG 0 - 3.8282
383 AU 0 - 3.84432
384 AG 0 - 3.84984
385 B1U 0 - 3.85695
386 B2U 0 - 3.86846
387 B3G 0 - 3.91005
388 B1U 0 - 3.91927
389 B2U 0 - 3.94047
390 B3G 0 - 3.94889
391 AG 0 - 3.96213
392 B1U 0 - 3.98059
393 B2U 0 - 3.98983
394 B3G 0 - 3.99661
395 B1U 0 - 4.01028
396 AG 0 - 4.04013
397 B2U 0 - 4.05504
398 B1U 0 - 4.08444
399 B3G 0 - 4.11553
400 AG 0 - 4.14973
401 B1U 0 - 4.23009
402 B3G 0 - 4.28867
403 AG 0 - 4.30691
404 B3G 0 - 4.33608
405 B2U 0 - 4.35455
406 B1U 0 - 4.36063
407 AG 0 - 4.59071
408 B1U 0 - 4.59289
409 B3G 0 - 4.60322
410 B2U 0 - 4.67879
411 B3G 0 - 4.74959
412 B1U 0 - 4.76306
413 B1U 0 - 4.82253
414 AG 0 - 4.88908
415 B2U 0 - 5.23037
416 B3G 0 - 5.26289
417 B1U 0 - 5.28158
418 B3G 0 - 5.37493
419 AG 0 - 23.61877
420 B2U 0 - 23.785
421 B3G 0 - 23.95751
422 B1U 0 - 23.97415
423 AG 0 - 23.98076
424 AG 0 - 24.02996
425 B2U 0 - 24.05258
426 B3G 0 - 24.07644
427 B1U 0 - 24.08901
428 AG 0 - 24.17167
429 B3G 0 - 24.24763
430 B2U 0 - 24.27794
431 B1U 0 - 24.28765
432 B1U 0 - 24.39029
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C -0.20273  
2 C -0.21008  
3 C -0.16046  
4 C -0.06375  
5 C -0.06308  
6 C -0.17342  
7 H 0.20406  
8 C -0.14068  
9 C -0.06763  
10 C -0.05871  
11 C -0.15002  
12 H 0.20061  
13 C -0.17336  
14 C -0.20265  
15 C -0.21018  
16 C -0.16054  
17 H 0.20299  
18 H 0.20562  
19 H 0.20558  
20 H 0.20408  
21 H 0.20018  
22 H 0.20297  
23 H 0.20561  
24 H 0.20558  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.999145007 - -10.031651904
2 C1 Val(2S) 0.949862077 - -0.167978562
3 C1 Ryd(3S) 0.000929453 - 1.508767959
4 C1 Ryd(4S) 0.000124769 - 2.118414956
5 C1 Ryd(5S) 0.000003258 - 19.975510595
6 C1 Val(2p) 1.002158615 - -0.111605320
7 C1 Ryd(4p) 0.001519751 - 0.508590431
8 C1 Ryd(3p) 0.000321036 - 0.321498553
9 C1 Ryd(5p) 0.000032711 - 2.753518606
10 C1 Val(2p) 1.151158428 - -0.056594670
11 C1 Ryd(4p) 0.005864696 - 0.995836120
12 C1 Ryd(3p) 0.000298641 - 0.462155603
13 C1 Ryd(5p) 0.000107476 - 3.409466797
14 C1 Val(2p) 1.080608436 - -0.051703156
15 C1 Ryd(4p) 0.005128816 - 0.893981286
16 C1 Ryd(3p) 0.000378841 - 0.544880392
17 C1 Ryd(5p) 0.000147249 - 3.366685671
18 C1 Ryd(3d) 0.000313799 - 1.374446879
19 C1 Ryd(4d) 0.000073246 - 2.962639754
20 C1 Ryd(3d) 0.000226213 - 1.430065438
21 C1 Ryd(4d) 0.000105050 - 3.011134152
22 C1 Ryd(3d) 0.000863311 - 2.194647026
23 C1 Ryd(4d) 0.000733796 - 3.581937063
24 C1 Ryd(3d) 0.001132876 - 1.789482246
25 C1 Ryd(4d) 0.000223813 - 3.338535893
26 C1 Ryd(3d) 0.000927527 - 2.050947882
27 C1 Ryd(4d) 0.000344040 - 3.452621353
28 C2 Cor(1S) 1.999166650 - -10.031392348
29 C2 Val(2S) 0.950972576 - -0.169334049
30 C2 Ryd(3S) 0.001760005 - 0.794623105
31 C2 Ryd(4S) 0.000071778 - 0.917317281
32 C2 Ryd(5S) 0.000014766 - 22.260179201
33 C2 Val(2p) 1.001953223 - -0.111074444
34 C2 Ryd(4p) 0.001742373 - 0.496383715
35 C2 Ryd(3p) 0.000306909 - 0.329896039
36 C2 Ryd(5p) 0.000029608 - 2.756796960
37 C2 Val(2p) 1.155553503 - -0.061048459
38 C2 Ryd(4p) 0.006416839 - 0.945476776
39 C2 Ryd(3p) 0.000297462 - 0.495786347
40 C2 Ryd(5p) 0.000112716 - 3.411380889
41 C2 Val(2p) 1.081484441 - -0.051402692
42 C2 Ryd(4p) 0.005050235 - 0.893154986
43 C2 Ryd(3p) 0.000342417 - 0.617726854
44 C2 Ryd(5p) 0.000149361 - 3.348624292
45 C2 Ryd(3d) 0.000319334 - 1.473930205
46 C2 Ryd(4d) 0.000067711 - 2.863156429
47 C2 Ryd(3d) 0.000237452 - 1.525322878
48 C2 Ryd(4d) 0.000093812 - 2.915876712
49 C2 Ryd(3d) 0.000591503 - 2.226295103
50 C2 Ryd(4d) 0.000731470 - 3.504678439
51 C2 Ryd(3d) 0.001121803 - 1.841586911
52 C2 Ryd(4d) 0.000238252 - 3.248318809
53 C2 Ryd(3d) 0.000927825 - 2.152494670
54 C2 Ryd(4d) 0.000326034 - 3.425918646
55 C3 Cor(1S) 1.998878204 - -10.031920851
56 C3 Val(2S) 0.924378041 - -0.166704101
57 C3 Ryd(3S) 0.000342960 - 0.833096054
58 C3 Ryd(4S) 0.000037337 - 22.200518980
59 C3 Val(2p) 0.992516369 - -0.110959018
60 C3 Ryd(4p) 0.000991670 - 0.526555826
61 C3 Ryd(3p) 0.000493587 - 0.300782565
62 C3 Ryd(5p) 0.000015120 - 2.811459965
63 C3 Val(2p) 1.056299958 - -0.047400680
64 C3 Ryd(4p) 0.004290919 - 0.927345452
65 C3 Ryd(3p) 0.000355165 - 0.676576150
66 C3 Ryd(5p) 0.000177122 - 3.452922401
67 C3 Val(2p) 1.167716961 - -0.059768063
68 C3 Ryd(4p) 0.007311205 - 1.015923363
69 C3 Ryd(3p) 0.000193770 - 0.464476913
70 C3 Ryd(5p) 0.000090346 - 3.552129841
71 C3 Ryd(3d) 0.000301942 - 1.226557907
72 C3 Ryd(4d) 0.000147275 - 3.299190413
73 C3 Ryd(3d) 0.000298441 - 1.090756091
74 C3 Ryd(4d) 0.000047574 - 3.216266466
75 C3 Ryd(3d) 0.000751842 - 1.936499864
76 C3 Ryd(4d) 0.000413531 - 3.742626620
77 C3 Ryd(3d) 0.002528616 - 1.686968504
78 C3 Ryd(4d) 0.000188061 - 3.543145089
79 C3 Ryd(3d) 0.000999161 - 1.701155816
80 C3 Ryd(4d) 0.000695517 - 3.723392920
81 C4 Cor(1S) 1.998986282 - -10.036100576
82 C4 Val(2S) 0.867035578 - -0.120517924
83 C4 Ryd(3S) 0.000896871 - 1.179444968
84 C4 Ryd(4S) 0.000048837 - 2.190338081
85 C4 Ryd(5S) 0.000011635 - 19.936079476
86 C4 Val(2p) 1.001547554 - -0.104748320
87 C4 Ryd(4p) 0.000552412 - 0.601877007
88 C4 Ryd(3p) 0.000334079 - 0.546526707
89 C4 Ryd(5p) 0.000022030 - 2.678060909
90 C4 Val(2p) 1.097586506 - -0.069184243
91 C4 Ryd(4p) 0.006276772 - 1.252363390
92 C4 Ryd(3p) 0.000168681 - 1.093667440
93 C4 Ryd(5p) 0.000093658 - 3.533360829
94 C4 Val(2p) 1.080310284 - -0.053613077
95 C4 Ryd(4p) 0.004430774 - 1.298470328
96 C4 Ryd(3p) 0.000139136 - 1.029931235
97 C4 Ryd(5p) 0.000146641 - 3.322530878
98 C4 Ryd(3d) 0.000390169 - 1.262265311
99 C4 Ryd(4d) 0.000209667 - 3.365213295
100 C4 Ryd(3d) 0.000174868 - 1.293405865
101 C4 Ryd(4d) 0.000178157 - 3.348950466
102 C4 Ryd(3d) 0.000749625 - 2.404064278
103 C4 Ryd(4d) 0.000740261 - 3.762954134
104 C4 Ryd(3d) 0.000921495 - 2.098592547
105 C4 Ryd(4d) 0.000211533 - 3.722204545
106 C4 Ryd(3d) 0.000909440 - 2.303611237
107 C4 Ryd(4d) 0.000681123 - 3.671534077
108 C5 Cor(1S) 1.998985566 - -10.036093645
109 C5 Val(2S) 0.867088082 - -0.120519479
110 C5 Ryd(3S) 0.000758022 - 1.185412824
111 C5 Ryd(4S) 0.000040475 - 1.310041389
112 C5 Ryd(5S) 0.000014906 - 20.838540200
113 C5 Val(2p) 1.001532251 - -0.104742064
114 C5 Ryd(4p) 0.000551043 - 0.607053397
115 C5 Ryd(3p) 0.000360857 - 0.391125861
116 C5 Ryd(5p) 0.000011924 - 2.828279109
117 C5 Val(2p) 1.097322042 - -0.068291188
118 C5 Ryd(4p) 0.005356608 - 1.268306432
119 C5 Ryd(3p) 0.000134411 - 0.902852062
120 C5 Ryd(5p) 0.000132913 - 3.734565137
121 C5 Val(2p) 1.080691533 - -0.054385514
122 C5 Ryd(4p) 0.004570964 - 1.282843127
123 C5 Ryd(3p) 0.000168142 - 0.776142034
124 C5 Ryd(5p) 0.000159253 - 3.578945991
125 C5 Ryd(3d) 0.000371729 - 1.215493644
126 C5 Ryd(4d) 0.000228107 - 3.411984962
127 C5 Ryd(3d) 0.000161685 - 1.247589027
128 C5 Ryd(4d) 0.000191340 - 3.394767304
129 C5 Ryd(3d) 0.000748667 - 2.413318634
130 C5 Ryd(4d) 0.000728529 - 3.767820724
131 C5 Ryd(3d) 0.001000272 - 2.207924213
132 C5 Ryd(4d) 0.000206484 - 3.751070886
133 C5 Ryd(3d) 0.000885077 - 2.260324635
134 C5 Ryd(4d) 0.000676066 - 3.668528620
135 C6 Cor(1S) 1.999064676 - -10.029394939
136 C6 Val(2S) 0.937338766 - -0.159293853
137 C6 Ryd(3S) 0.001526751 - 1.016958671
138 C6 Ryd(4S) 0.000052727 - 3.138030404
139 C6 Ryd(5S) 0.000019432 - 19.571604994
140 C6 Val(2p) 0.992530150 - -0.110834253
141 C6 Ryd(4p) 0.001035717 - 0.527758621
142 C6 Ryd(3p) 0.000436258 - 0.324354350
143 C6 Ryd(5p) 0.000014622 - 2.786560618
144 C6 Val(2p) 1.055965391 - -0.047095543
145 C6 Ryd(4p) 0.004006624 - 0.925597471
146 C6 Ryd(3p) 0.000418050 - 0.681252650
147 C6 Ryd(5p) 0.000180294 - 3.394960899
148 C6 Val(2p) 1.169387292 - -0.058279200
149 C6 Ryd(4p) 0.006371050 - 1.125767274
150 C6 Ryd(3p) 0.000197767 - 0.524380469
151 C6 Ryd(5p) 0.000068706 - 3.467614818
152 C6 Ryd(3d) 0.000360428 - 1.488240138
153 C6 Ryd(4d) 0.000088789 - 3.037508182
154 C6 Ryd(3d) 0.000306461 - 1.385913237
155 C6 Ryd(4d) 0.000039554 - 2.921109320
156 C6 Ryd(3d) 0.000827094 - 2.143328842
157 C6 Ryd(4d) 0.000322482 - 3.589907423
158 C6 Ryd(3d) 0.001217300 - 2.190657204
159 C6 Ryd(4d) 0.000170908 - 3.433720883
160 C6 Ryd(3d) 0.000733096 - 1.885857952
161 C6 Ryd(4d) 0.000735120 - 3.508140496
162 H7 Val(1S) 0.794401642 - 0.043479928
163 H7 Ryd(2S) 0.000688433 - 1.372816564
164 H7 Ryd(3S) 0.000140197 - 1.698423299
165 H7 Ryd(2p) 0.000207628 - 1.948430769
166 H7 Ryd(2p) 0.000050384 - 2.605360865
167 H7 Ryd(2p) 0.000446894 - 2.922630192
168 C8 Cor(1S) 1.998854218 - -10.028622770
169 C8 Val(2S) 0.911355182 - -0.157888467
170 C8 Ryd(3S) 0.000621455 - 0.968801476
171 C8 Ryd(4S) 0.000021181 - 21.283423800
172 C8 Val(2p) 0.990393973 - -0.110989148
173 C8 Ryd(4p) 0.000956437 - 0.566276080
174 C8 Ryd(3p) 0.000785788 - 0.476156412
175 C8 Ryd(5p) 0.000018220 - 2.681652748
176 C8 Val(2p) 1.052861282 - -0.042886838
177 C8 Ryd(3p) 0.003456013 - 1.028081254
178 C8 Ryd(4p) 0.000244380 - 1.082421330
179 C8 Ryd(5p) 0.000142807 - 3.360243820
180 C8 Val(2p) 1.168367174 - -0.062176790
181 C8 Ryd(4p) 0.006891316 - 1.202570630
182 C8 Ryd(3p) 0.000245062 - 0.886860265
183 C8 Ryd(5p) 0.000158748 - 3.297612660
184 C8 Ryd(3d) 0.000458643 - 1.385734506
185 C8 Ryd(4d) 0.000069883 - 3.181953245
186 C8 Ryd(3d) 0.000301271 - 1.276288979
187 C8 Ryd(4d) 0.000035650 - 3.062372188
188 C8 Ryd(3d) 0.000781629 - 2.108724160
189 C8 Ryd(4d) 0.000279205 - 3.765995576
190 C8 Ryd(3d) 0.001752081 - 1.926762580
191 C8 Ryd(4d) 0.000147690 - 3.477497955
192 C8 Ryd(3d) 0.000972098 - 1.824493478
193 C8 Ryd(4d) 0.000504230 - 3.724290234
194 C9 Cor(1S) 1.998998085 - -10.035976141
195 C9 Val(2S) 0.867845711 - -0.122138860
196 C9 Ryd(3S) 0.001168860 - 0.999564838
197 C9 Ryd(4S) 0.000051046 - 6.465029424
198 C9 Ryd(5S) 0.000009097 - 16.114945926
199 C9 Val(2p) 1.001509385 - -0.104552450
200 C9 Ryd(4p) 0.000552566 - 0.600302001
201 C9 Ryd(3p) 0.000372668 - 0.519916709
202 C9 Ryd(5p) 0.000021458 - 2.706050041
203 C9 Val(2p) 1.098697101 - -0.070568155
204 C9 Ryd(4p) 0.006266656 - 1.217492652
205 C9 Ryd(3p) 0.000189211 - 1.140673554
206 C9 Ryd(5p) 0.000092417 - 3.574854332
207 C9 Val(2p) 1.082125783 - -0.056762565
208 C9 Ryd(4p) 0.004188412 - 1.232322459
209 C9 Ryd(3p) 0.000131751 - 1.002169318
210 C9 Ryd(5p) 0.000144198 - 3.329247024
211 C9 Ryd(3d) 0.000370919 - 1.213741217
212 C9 Ryd(4d) 0.000228917 - 3.413737389
213 C9 Ryd(3d) 0.000161121 - 1.245871846
214 C9 Ryd(4d) 0.000191904 - 3.396484485
215 C9 Ryd(3d) 0.000770040 - 2.314149419
216 C9 Ryd(4d) 0.000760032 - 3.779355615
217 C9 Ryd(3d) 0.000933956 - 2.046311451
218 C9 Ryd(4d) 0.000215708 - 3.746637666
219 C9 Ryd(3d) 0.000965054 - 2.157258490
220 C9 Ryd(4d) 0.000672460 - 3.666194129
221 C10 Cor(1S) 1.998981825 - -10.036183613
222 C10 Val(2S) 0.866758316 - -0.120370434
223 C10 Ryd(3S) 0.000586093 - 1.247207129
224 C10 Ryd(4S) 0.000053371 - 4.240017625
225 C10 Ryd(5S) 0.000013612 - 17.924283594
226 C10 Val(2p) 1.001553345 - -0.105021047
227 C10 Ryd(4p) 0.000562991 - 0.610870260
228 C10 Ryd(3p) 0.000326929 - 0.386339141
229 C10 Ryd(5p) 0.000012811 - 2.829527948
230 C10 Val(2p) 1.094701106 - -0.058776058
231 C10 Ryd(4p) 0.005558858 - 1.530188204
232 C10 Ryd(3p) 0.000117423 - 0.813290341
233 C10 Ryd(5p) 0.000121295 - 3.725064935
234 C10 Val(2p) 1.079143388 - -0.052129355
235 C10 Ryd(4p) 0.004839216 - 1.348137317
236 C10 Ryd(3p) 0.000164569 - 0.747568774
237 C10 Ryd(5p) 0.000160343 - 3.621608555
238 C10 Ryd(3d) 0.000398517 - 1.288108792
239 C10 Ryd(4d) 0.000201318 - 3.339369814
240 C10 Ryd(3d) 0.000181078 - 1.318713606
241 C10 Ryd(4d) 0.000171947 - 3.323642725
242 C10 Ryd(3d) 0.000750378 - 2.522116705
243 C10 Ryd(4d) 0.000741751 - 3.761226605
244 C10 Ryd(3d) 0.000886047 - 1.987307749
245 C10 Ryd(4d) 0.000188280 - 3.688226088
246 C10 Ryd(3d) 0.000833820 - 2.279414306
247 C10 Ryd(4d) 0.000699179 - 3.674239661
248 C11 Cor(1S) 1.998981820 - -10.026789695
249 C11 Val(2S) 0.920635246 - -0.146443985
250 C11 Ryd(3S) 0.001460646 - 1.413875139
251 C11 Ryd(4S) 0.000038499 - 9.090037285
252 C11 Ryd(5S) 0.000006037 - 12.678767223
253 C11 Val(2p) 0.990381358 - -0.110912995
254 C11 Ryd(4p) 0.000977222 - 0.565712379
255 C11 Ryd(3p) 0.000776576 - 0.469467372
256 C11 Ryd(5p) 0.000019260 - 2.688829335
257 C11 Val(2p) 1.052903480 - -0.042696256
258 C11 Ryd(3p) 0.003426486 - 1.028778185
259 C11 Ryd(4p) 0.000246347 - 1.078510305
260 C11 Ryd(5p) 0.000141894 - 3.364532795
261 C11 Val(2p) 1.169222658 - -0.059917177
262 C11 Ryd(4p) 0.005748133 - 1.269390158
263 C11 Ryd(3p) 0.000251709 - 0.882703802
264 C11 Ryd(5p) 0.000164759 - 3.338436960
265 C11 Ryd(3d) 0.000475605 - 1.496668204
266 C11 Ryd(4d) 0.000052920 - 3.071019546
267 C11 Ryd(3d) 0.000300773 - 1.401110821
268 C11 Ryd(4d) 0.000036148 - 2.937550346
269 C11 Ryd(3d) 0.000810895 - 2.167707931
270 C11 Ryd(4d) 0.000247879 - 3.702916285
271 C11 Ryd(3d) 0.001142192 - 2.389812972
272 C11 Ryd(4d) 0.000210588 - 3.570598210
273 C11 Ryd(3d) 0.000862832 - 1.936781031
274 C11 Ryd(4d) 0.000499588 - 3.637754681
275 H12 Val(1S) 0.796518504 - 0.038832091
276 H12 Ryd(2S) 0.002106650 - 0.470376448
277 H12 Ryd(3S) 0.000182360 - 2.341711833
278 H12 Ryd(2p) 0.000206101 - 1.978291696
279 H12 Ryd(2p) 0.000050885 - 2.658854499
280 H12 Ryd(2p) 0.000324627 - 2.985295356
281 C13 Cor(1S) 1.999066268 - -10.029368821
282 C13 Val(2S) 0.937424307 - -0.159163535
283 C13 Ryd(3S) 0.001479419 - 1.081152459
284 C13 Ryd(4S) 0.000054227 - 4.076515536
285 C13 Ryd(5S) 0.000017163 - 18.601683885
286 C13 Val(2p) 0.992532436 - -0.110871231
287 C13 Ryd(4p) 0.001022980 - 0.527587809
288 C13 Ryd(3p) 0.000447064 - 0.318122343
289 C13 Ryd(5p) 0.000014266 - 2.793000416
290 C13 Val(2p) 1.055970974 - -0.046781165
291 C13 Ryd(4p) 0.004073257 - 0.925938978
292 C13 Ryd(3p) 0.000429559 - 0.622255027
293 C13 Ryd(5p) 0.000187824 - 3.402751742
294 C13 Val(2p) 1.169025332 - -0.057148160
295 C13 Ryd(4p) 0.006504343 - 1.156708817
296 C13 Ryd(3p) 0.000197127 - 0.517919762
297 C13 Ryd(5p) 0.000064110 - 3.473209226
298 C13 Ryd(3d) 0.000356031 - 1.461118801
299 C13 Ryd(4d) 0.000093186 - 3.064629520
300 C13 Ryd(3d) 0.000306477 - 1.355894472
301 C13 Ryd(4d) 0.000039538 - 2.951128084
302 C13 Ryd(3d) 0.000826422 - 2.085525892
303 C13 Ryd(4d) 0.000339074 - 3.596656401
304 C13 Ryd(3d) 0.001230088 - 2.127530568
305 C13 Ryd(4d) 0.000177934 - 3.451781222
306 C13 Ryd(3d) 0.000730597 - 1.861838333
307 C13 Ryd(4d) 0.000753166 - 3.530944178
308 C14 Cor(1S) 1.999144966 - -10.031650611
309 C14 Val(2S) 0.949851141 - -0.168093294
310 C14 Ryd(3S) 0.000934724 - 1.532668306
311 C14 Ryd(4S) 0.000120197 - 2.056904610
312 C14 Ryd(5S) 0.000003345 - 20.048170621
313 C14 Val(2p) 1.002158283 - -0.111609732
314 C14 Ryd(4p) 0.001520249 - 0.508628316
315 C14 Ryd(3p) 0.000320997 - 0.324187207
316 C14 Ryd(5p) 0.000032584 - 2.750796478
317 C14 Val(2p) 1.151130391 - -0.056671686
318 C14 Ryd(4p) 0.005865752 - 1.000357366
319 C14 Ryd(3p) 0.000289404 - 0.482554063
320 C14 Ryd(5p) 0.000105597 - 3.400792407
321 C14 Val(2p) 1.080589951 - -0.051700866
322 C14 Ryd(4p) 0.005120196 - 0.889825615
323 C14 Ryd(3p) 0.000375205 - 0.561066489
324 C14 Ryd(5p) 0.000145974 - 3.358058829
325 C14 Ryd(3d) 0.000313997 - 1.377513749
326 C14 Ryd(4d) 0.000073048 - 2.959572884
327 C14 Ryd(3d) 0.000226585 - 1.432997009
328 C14 Ryd(4d) 0.000104679 - 3.008202581
329 C14 Ryd(3d) 0.000860350 - 2.202377655
330 C14 Ryd(4d) 0.000730590 - 3.582339483
331 C14 Ryd(3d) 0.001132228 - 1.790814942
332 C14 Ryd(4d) 0.000222782 - 3.335245931
333 C14 Ryd(3d) 0.000930775 - 2.040716936
334 C14 Ryd(4d) 0.000344240 - 3.448508044
335 C15 Cor(1S) 1.999166745 - -10.031391712
336 C15 Val(2S) 0.950961135 - -0.169809535
337 C15 Ryd(3S) 0.001780559 - 0.785034831
338 C15 Ryd(4S) 0.000072628 - 0.907342904
339 C15 Ryd(5S) 0.000014201 - 22.303832545
340 C15 Val(2p) 1.001946072 - -0.111064242
341 C15 Ryd(4p) 0.001746778 - 0.496590585
342 C15 Ryd(3p) 0.000309722 - 0.329253808
343 C15 Ryd(5p) 0.000029541 - 2.757222119
344 C15 Val(2p) 1.155669247 - -0.061416233
345 C15 Ryd(4p) 0.006401472 - 0.943871134
346 C15 Ryd(3p) 0.000300417 - 0.485974191
347 C15 Ryd(5p) 0.000112640 - 3.410900630
348 C15 Val(2p) 1.081479783 - -0.051422919
349 C15 Ryd(4p) 0.005046010 - 0.885132233
350 C15 Ryd(3p) 0.000336972 - 0.635646561
351 C15 Ryd(5p) 0.000147602 - 3.352130779
352 C15 Ryd(3d) 0.000319099 - 1.468983473
353 C15 Ryd(4d) 0.000067946 - 2.868103160
354 C15 Ryd(3d) 0.000236930 - 1.520578897
355 C15 Ryd(4d) 0.000094334 - 2.920620692
356 C15 Ryd(3d) 0.000585524 - 2.227711837
357 C15 Ryd(4d) 0.000734935 - 3.509601452
358 C15 Ryd(3d) 0.001120755 - 1.837200779
359 C15 Ryd(4d) 0.000240134 - 3.253829688
360 C15 Ryd(3d) 0.000927719 - 2.136705633
361 C15 Ryd(4d) 0.000326477 - 3.429266638
362 C16 Cor(1S) 1.998879969 - -10.031890438
363 C16 Val(2S) 0.924513981 - -0.166904684
364 C16 Ryd(3S) 0.000379833 - 0.691360464
365 C16 Ryd(4S) 0.000038820 - 22.322105868
366 C16 Val(2p) 0.992520147 - -0.110958299
367 C16 Ryd(4p) 0.000993388 - 0.527138318
368 C16 Ryd(3p) 0.000490435 - 0.309317522
369 C16 Ryd(5p) 0.000012777 - 2.802341796
370 C16 Val(2p) 1.056258231 - -0.047777453
371 C16 Ryd(4p) 0.004272927 - 0.928139694
372 C16 Ryd(3p) 0.000335280 - 0.736312926
373 C16 Ryd(5p) 0.000168657 - 3.438489121
374 C16 Val(2p) 1.167792936 - -0.059920462
375 C16 Ryd(4p) 0.007175906 - 1.013913163
376 C16 Ryd(3p) 0.000192727 - 0.530611270
377 C16 Ryd(5p) 0.000086172 - 3.522550989
378 C16 Ryd(3d) 0.000302984 - 1.229723853
379 C16 Ryd(4d) 0.000146233 - 3.296024468
380 C16 Ryd(3d) 0.000298708 - 1.094441978
381 C16 Ryd(4d) 0.000047307 - 3.212580579
382 C16 Ryd(3d) 0.000747194 - 1.988396161
383 C16 Ryd(4d) 0.000403507 - 3.745072310
384 C16 Ryd(3d) 0.002628523 - 1.577190801
385 C16 Ryd(4d) 0.000188150 - 3.513979819
386 C16 Ryd(3d) 0.000971875 - 1.707125998
387 C16 Ryd(4d) 0.000689461 - 3.720100757
388 H17 Val(1S) 0.795469022 - 0.045430527
389 H17 Ryd(2S) 0.000751546 - 1.510512417
390 H17 Ryd(3S) 0.000129930 - 1.634339675
391 H17 Ryd(2p) 0.000207628 - 1.948430769
392 H17 Ryd(2p) 0.000048890 - 2.610239797
393 H17 Ryd(2p) 0.000405754 - 2.929194464
394 H18 Val(1S) 0.793031451 - 0.046322396
395 H18 Ryd(2S) 0.000529543 - 0.994790343
396 H18 Ryd(3S) 0.000150599 - 2.015997429
397 H18 Ryd(2p) 0.000208054 - 1.916159113
398 H18 Ryd(2p) 0.000298235 - 2.829230339
399 H18 Ryd(2p) 0.000166875 - 2.633276514
400 H19 Val(1S) 0.793064517 - 0.046153668
401 H19 Ryd(2S) 0.000542632 - 1.080311969
402 H19 Ryd(3S) 0.000155173 - 2.000645828
403 H19 Ryd(2p) 0.000208054 - 1.916159113
404 H19 Ryd(2p) 0.000304383 - 2.822309497
405 H19 Ryd(2p) 0.000149023 - 2.632222218
406 H20 Val(1S) 0.794385211 - 0.043488433
407 H20 Ryd(2S) 0.000693755 - 1.416612661
408 H20 Ryd(3S) 0.000148526 - 1.665273368
409 H20 Ryd(2p) 0.000207628 - 1.948430769
410 H20 Ryd(2p) 0.000053372 - 2.604413555
411 H20 Ryd(2p) 0.000433377 - 2.929551526
412 H21 Val(1S) 0.796898632 - 0.039974204
413 H21 Ryd(2S) 0.002106763 - 0.774544354
414 H21 Ryd(3S) 0.000227172 - 2.386021493
415 H21 Ryd(2p) 0.000206101 - 1.978291696
416 H21 Ryd(2p) 0.000050521 - 2.658795819
417 H21 Ryd(2p) 0.000329732 - 2.987384320
418 H22 Val(1S) 0.795475513 - 0.045396239
419 H22 Ryd(2S) 0.000746862 - 1.526663405
420 H22 Ryd(3S) 0.000132654 - 1.605986932
421 H22 Ryd(2p) 0.000207628 - 1.948430769
422 H22 Ryd(2p) 0.000052541 - 2.607108009
423 H22 Ryd(2p) 0.000412855 - 2.929733077
424 H23 Val(1S) 0.793033314 - 0.046310494
425 H23 Ryd(2S) 0.000529661 - 0.996790389
426 H23 Ryd(3S) 0.000150349 - 2.014179990
427 H23 Ryd(2p) 0.000208054 - 1.916159113
428 H23 Ryd(2p) 0.000299371 - 2.827031294
429 H23 Ryd(2p) 0.000166862 - 2.636675481
430 H24 Val(1S) 0.793055495 - 0.046142081
431 H24 Ryd(2S) 0.000544612 - 1.081162047
432 H24 Ryd(3S) 0.000154814 - 2.000052386
433 H24 Ryd(2p) 0.000208054 - 1.916159113
434 H24 Ryd(2p) 0.000303631 - 2.821821972
435 H24 Ryd(2p) 0.000148451 - 2.631935660
436 - **********
437 - **********
438 - **********

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(C2) 1s(34.62%)p1.89(65.28%)d0.00(0.11%) 0.998867722 - -0.075199515
2 BD(1)C2(C1) 2s(34.62%)p1.89(65.27%)d0.00(0.11%) 0.996205116 - -0.074212550
3 BD(1)C1(C6) 1s(36.90%)p1.71(62.99%)d0.00(0.12%) 0.994629690 - -0.065298285
4 BD(1)C6(C1) 6s(37.09%)p1.69(62.80%)d0.00(0.10%) 1.000443107 - -0.071628428
5 BD(2)C1(C6) 1s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.002302302 - -0.096662105
6 BD(2)C6(C1) 6s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.992451472 - -0.111261159
7 BD(1)C1(H24) 1s(28.35%)p2.53(71.60%)d0.00(0.05%) 1.190792495 - -0.129249912
8 BD(1)H24(C1) 24s(99.96%)p0.00(0.04%) 0.769231527 - 0.065986875
9 BD(1)C2(C3) 2s(37.07%)p1.69(62.82%)d0.00(0.10%) 0.997931431 - -0.052601123
10 BD(1)C3(C2) 3s(36.64%)p1.72(63.14%)d0.01(0.22%) 0.994195531 - -0.057441500
11 BD(2)C2(C3) 2s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.002448300 - -0.112555172
12 BD(2)C3(C2) 3s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.993383155 - -0.111226423
13 BD(1)C2(H23) 2s(28.23%)p2.54(71.73%)d0.00(0.04%) 1.194832971 - 0.044258683
14 BD(1)H23(C2) 23s(99.96%)p0.00(0.04%) 0.793497345 - 0.048405952
15 BD(1)C3(C4) 3s(34.62%)p1.88(65.22%)d0.00(0.16%) 0.964821752 - -0.060758062
16 BD(1)C4(C3) 4s(33.29%)p2.00(66.65%)d0.00(0.06%) 1.032167949 - -0.092140924
17 BD(1)C3(H22) 3s(28.30%)p2.53(71.65%)d0.00(0.05%) 1.198110914 - -0.069767606
18 BD(1)H22(C3) 22s(99.96%)p0.00(0.04%) 0.795750848 - 0.047751117
19 BD(1)C4(C5) 4s(31.96%)p2.13(67.97%)d0.00(0.07%) 0.998070975 - -0.067879785
20 BD(1)C5(C4) 5s(31.95%)p2.13(67.98%)d0.00(0.07%) 0.998410982 - -0.068316164
21 BD(1)C4(C11) 4s(34.59%)p1.89(65.35%)d0.00(0.06%) 1.018291678 - -0.073506130
22 BD(1)C11(C4) 11s(35.95%)p1.78(63.96%)d0.00(0.09%) 0.974542914 - -0.023451783
23 BD(1)C5(C6) 5s(33.32%)p2.00(66.63%)d0.00(0.06%) 1.024470458 - -0.031797089
24 BD(1)C6(C5) 6s(34.49%)p1.90(65.40%)d0.00(0.11%) 0.969237425 - -0.039867306
25 BD(1)C5(C8) 5s(34.58%)p1.89(65.36%)d0.00(0.06%) 1.022559045 - -0.052343875
26 BD(1)C8(C5) 8s(35.86%)p1.79(64.01%)d0.00(0.14%) 0.970677043 - -0.051682313
27 BD(2)C5(C8) 5s(0.00%)p1.00(99.98%)d0.00(0.02%) 1.001781279 - -0.096579938
28 BD(2)C8(C5) 8s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.991266398 - -0.110872269
29 BD(1)C6(H7) 6s(28.29%)p2.53(71.67%)d0.00(0.04%) 1.198017096 - -0.132337818
30 BD(1)H7(C6) 7s(99.95%)p0.00(0.05%) 0.794637786 - 0.046430935
31 BD(1)C8(C9) 8s(35.87%)p1.78(64.00%)d0.00(0.13%) 0.971089007 - -0.050295050
32 BD(1)C9(C8) 9s(34.61%)p1.89(65.33%)d0.00(0.06%) 1.021810743 - -0.079234172
33 BD(1)C8(H21) 8s(27.95%)p2.58(71.98%)d0.00(0.07%) 1.197077335 - -0.133056100
34 BD(1)H21(C8) 21s(99.97%)p0.00(0.03%) 0.797142432 - 0.043015273
35 BD(1)C9(C10) 9s(31.92%)p2.13(68.01%)d0.00(0.08%) 0.998272341 - -0.067643627
36 BD(1)C10(C9) 10s(32.00%)p2.12(67.94%)d0.00(0.06%) 0.998163336 - -0.066670120
37 BD(1)C9(C16) 9s(33.31%)p2.00(66.63%)d0.00(0.06%) 1.031141656 - -0.095547551
38 BD(1)C16(C9) 16s(34.61%)p1.88(65.23%)d0.00(0.16%) 0.964928962 - -0.060803043
39 BD(1)C10(C11) 10s(34.55%)p1.89(65.39%)d0.00(0.06%) 1.018580736 - -0.067320208
40 BD(1)C11(C10) 11s(35.96%)p1.78(63.95%)d0.00(0.09%) 0.974835320 - -0.040432235
41 BD(2)C10(C11) 10s(0.00%)p1.00(99.98%)d0.00(0.02%) 1.001792410 - -0.103957676
42 BD(2)C11(C10) 11s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.991393472 - -0.110658731
43 BD(1)C10(C13) 10s(33.30%)p2.00(66.64%)d0.00(0.06%) 1.026908641 - -0.083087102
44 BD(1)C13(C10) 13s(34.49%)p1.90(65.41%)d0.00(0.11%) 0.968032691 - -0.020065234
45 BD(1)C11(H12) 11s(27.95%)p2.58(71.99%)d0.00(0.06%) 1.197468468 - -0.134304292
46 BD(1)H12(C11) 12s(99.97%)p0.00(0.03%) 0.796756408 - 0.042425728
47 BD(1)C13(C14) 13s(37.08%)p1.69(62.82%)d0.00(0.10%) 1.001207112 - -0.056341061
48 BD(1)C14(C13) 14s(36.90%)p1.71(62.98%)d0.00(0.12%) 0.991894586 - -0.051658552
49 BD(2)C13(C14) 13s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.993438159 - -0.110410665
50 BD(2)C14(C13) 14s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.003174900 - -0.110695478
51 BD(1)C13(H20) 13s(28.31%)p2.53(71.65%)d0.00(0.04%) 1.197731571 - -0.131742946
52 BD(1)H20(C13) 20s(99.96%)p0.00(0.04%) 0.794742387 - 0.046097633
53 BD(1)C14(C15) 14s(34.62%)p1.89(65.28%)d0.00(0.11%) 0.997905355 - -0.071935223
54 BD(1)C15(C14) 15s(34.62%)p1.89(65.27%)d0.00(0.11%) 0.997216569 - -0.069025216
55 BD(1)C14(H19) 14s(28.35%)p2.53(71.61%)d0.00(0.05%) 1.199349100 - -0.131003704
56 BD(1)H19(C14) 19s(99.96%)p0.00(0.04%) 0.793412794 - 0.048222464
57 BD(1)C15(C16) 15s(37.08%)p1.69(62.82%)d0.00(0.10%) 0.998514838 - -0.056714107
58 BD(1)C16(C15) 16s(36.64%)p1.72(63.14%)d0.01(0.22%) 0.994405391 - -0.055805055
59 BD(2)C15(C16) 15s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.003165890 - -0.112657689
60 BD(2)C16(C15) 16s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.993418294 - -0.111273709
61 BD(1)C15(H18) 15s(28.23%)p2.54(71.72%)d0.00(0.04%) 1.200047286 - -0.132342302
62 BD(1)H18(C15) 18s(99.96%)p0.00(0.04%) 0.793398186 - 0.049435315
63 BD(1)C16(H17) 16s(28.31%)p2.53(71.64%)d0.00(0.05%) 1.197519544 - -0.130720422
64 BD(1)H17(C16) 17s(99.96%)p0.00(0.04%) 0.795832564 - 0.047758102
65 CR(1)C1 s(100.00%)p0.00(0.00%) 1.998408843 - -10.125471246
66 CR(1)C2 s(100.00%)p0.00(0.00%) 1.998773397 - -10.014841557
67 CR(1)C3 s(100.00%)p0.00(0.00%) 1.998883650 - -10.031942294
68 CR(1)C4 s(100.00%) 1.998976318 - -10.035962219
69 CR(1)C5 s(100.00%) 1.998914675 - -10.029249012
70 CR(1)C6 s(100.00%)p0.00(0.00%) 1.999380362 - -10.020231517
71 CR(1)C8 s(100.00%)p0.00(0.00%) 1.998857355 - -10.028697452
72 CR(1)C9 s(100.00%) 1.998998110 - -10.035875016
73 CR(1)C10 s(100.00%) 1.998981795 - -10.036184165
74 CR(1)C11 s(100.00%)p0.00(0.00%) 1.998984772 - -10.026982623
75 CR(1)C13 s(100.00%)p0.00(0.00%) 1.999070868 - -10.029340790
76 CR(1)C14 s(100.00%)p0.00(0.00%) 1.999207442 - -10.030158874
77 CR(1)C15 s(100.00%)p0.00(0.00%) 1.999170594 - -10.031501078
78 CR(1)C16 s(100.00%)p0.00(0.00%) 1.998885493 - -10.031425157
79 LP(1)C4 s(0.00%)p1.00(100.00%)d0.00(0.00%) 1.001844232 - -0.104056367
80 LP*(1)C9 s(0.00%)p1.00(100.00%)d0.00(0.00%) 1.001884401 - -0.102106465
81 RY*(1)C1 s(0.11%)p99.99(88.51%)d99.99(11.37%) 0.006819116 - 1.271016065
82 RY*(2)C1 s(1.43%)p68.46(97.86%)d0.49(0.71%) 0.002428117 - 1.391667878
83 RY*(3)C1 s(0.00%)p1.00(83.83%)d0.19(16.17%) 0.001248649 - 0.568477065
84 RY*(4)C1 s(23.46%)p1.07(25.08%)d2.19(51.46%) -0.014629192 - 1.603062982
85 RY*(5)C1 s(19.75%)p1.39(27.51%)d2.67(52.74%) -0.017621864 - 1.874687614
86 RY*(6)C1 s(0.00%)p1.00(5.15%)d18.44(94.85%) 0.000291547 - 2.944819969
87 RY*(7)C1 s(56.03%)p0.44(24.52%)d0.35(19.45%) 0.036284443 - 3.068395887
88 RY*(8)C1 s(30.45%)p0.14(4.40%)d2.14(65.15%) 0.008405207 - 2.049915790
89 RY*(9)C1 s(0.00%)p1.00(14.84%)d5.74(85.16%) 0.000056866 - 1.058916987
90 RY*(10)C1 s(6.14%)p7.19(44.17%)d8.09(49.69%) 0.004600769 - 2.942149777
91 RY*(11)C1 s(14.40%)p2.91(41.87%)d3.04(43.73%) -0.005894280 - 2.062675064
92 RY*(12)C1 s(8.77%)p6.60(57.87%)d3.80(33.36%) 0.012063992 - 3.676821766
93 RY*(13)C1 s(14.03%)p1.72(24.14%)d4.41(61.83%) 0.001907078 - 1.969663240
94 RY*(14)C1 s(17.32%)p3.45(59.73%)d1.33(22.95%) 0.001793102 - 2.825481272
95 RY*(15)C1 s(5.01%)p5.24(26.29%)d13.70(68.70%) 0.013199228 - 2.631620964
96 RY*(16)C1 s(0.00%)p1.00(0.78%)d99.99(99.22%) 0.000018772 - 2.072241963
97 RY*(17)C1 s(0.00%)p1.00(97.31%)d0.03(2.69%) 0.000002228 - 0.382863324
98 RY*(18)C1 s(12.46%)p5.11(63.71%)d1.91(23.83%) 0.017170224 - 2.714447568
99 RY*(19)C1 s(0.00%)p1.00(93.53%)d0.07(6.47%) 0.000205993 - 2.745804695
100 RY*(20)C1 s(0.93%)p9.96(9.30%)d96.18(89.77%) 0.028454024 - 3.581112259
101 RY*(21)C1 s(0.00%)p1.00(4.59%)d20.78(95.41%) 0.000004393 - 2.612511001
102 RY*(22)C1 s(89.82%)p0.06(5.19%)d0.06(5.00%) -0.014218642 - 17.185501514
103 RY*(1)C2 s(1.02%)p89.04(90.40%)d8.46(8.58%) 0.011375709 - 1.203065134
104 RY*(2)C2 s(0.43%)p99.99(99.19%)d0.88(0.38%) 0.002586755 - 1.286531729
105 RY*(3)C2 s(0.00%)p1.00(83.83%)d0.19(16.17%) 0.001497398 - 0.572256152
106 RY*(4)C2 s(31.38%)p0.72(22.53%)d1.47(46.09%) 0.007920841 - 1.526808140
107 RY*(5)C2 s(22.40%)p0.92(20.68%)d2.54(56.92%) -0.005507737 - 1.812775728
108 RY*(6)C2 s(0.00%)p1.00(5.15%)d18.44(94.85%) 0.000443868 - 2.944437738
109 RY*(7)C2 s(15.13%)p0.54(8.11%)d5.07(76.76%) 0.000175113 - 2.555018098
110 RY*(8)C2 s(35.51%)p0.44(15.48%)d1.38(49.01%) 0.000944278 - 2.086670509
111 RY*(9)C2 s(2.28%)p30.51(69.66%)d12.29(28.06%) 0.021869738 - 2.561142270
112 RY*(10)C2 s(7.95%)p9.27(73.69%)d2.31(18.36%) -0.014836242 - 3.299783377
113 RY*(11)C2 s(0.00%)p1.00(14.84%)d5.74(85.16%) 0.000042214 - 1.049849839
114 RY*(12)C2 s(2.18%)p28.99(63.23%)d15.86(34.59%) 0.002110177 - 2.668426707
115 RY*(13)C2 s(16.72%)p1.24(20.73%)d3.74(62.55%) 0.000065602 - 3.672114625
116 RY*(14)C2 s(4.66%)p4.82(22.46%)d15.64(72.89%) 0.000065403 - 2.453625240
117 RY*(15)C2 s(33.15%)p1.21(40.17%)d0.80(26.67%) 0.000956763 - 3.025202509
118 RY*(16)C2 s(0.00%)p1.00(0.92%)d99.99(99.08%) 0.000000814 - 1.987095756
119 RY*(17)C2 s(0.00%)p1.00(97.38%)d0.03(2.62%) 0.000096591 - 0.388483265
120 RY*(18)C2 s(0.00%)p1.00(93.09%)d0.07(6.91%) 0.000047059 - 2.753127462
121 RY*(19)C2 s(44.79%)p0.88(39.46%)d0.35(15.75%) 0.000420355 - 1.269840921
122 RY*(20)C2 s(0.85%)p2.92(2.47%)d99.99(96.68%) 0.000142359 - 3.436252516
123 RY*(21)C2 s(0.00%)p1.00(4.83%)d19.72(95.17%) 0.000031992 - 2.690973314
124 RY*(22)C2 s(81.64%)p0.15(11.93%)d0.08(6.43%) 0.003805619 - 17.334715891
125 RY*(1)C3 s(0.21%)p99.99(91.64%)d39.27(8.16%) 0.006359437 - 1.253297580
126 RY*(2)C3 s(2.93%)p31.16(91.16%)d2.02(5.91%) 0.002648222 - 1.168732062
127 RY*(3)C3 s(0.00%)p1.00(83.75%)d0.19(16.25%) 0.000781345 - 0.544226723
128 RY*(4)C3 s(17.67%)p1.89(33.42%)d2.77(48.92%) 0.000876276 - 1.976409338
129 RY*(5)C3 s(0.00%)p1.00(7.11%)d13.07(92.89%) 0.000351032 - 2.120367325
130 RY*(6)C3 s(4.42%)p1.95(8.60%)d19.68(86.98%) 0.005395071 - 1.817556237
131 RY*(7)C3 s(35.84%)p0.08(2.93%)d1.71(61.23%) -0.000052037 - 1.157067331
132 RY*(8)C3 s(20.46%)p1.56(31.85%)d2.33(47.69%) 0.006720274 - 3.281854142
133 RY*(9)C3 s(0.00%)p1.00(24.20%)d3.13(75.80%) 0.000071995 - 1.379435655
134 RY*(10)C3 s(21.42%)p2.90(62.07%)d0.77(16.51%) 0.018513775 - 5.050598622
135 RY*(11)C3 s(7.25%)p7.53(54.61%)d5.26(38.14%) 0.002043195 - 3.561191040
136 RY*(12)C3 s(5.75%)p11.06(63.58%)d5.33(30.67%) 0.000623944 - 2.292907055
137 RY*(13)C3 s(0.00%)p1.00(10.86%)d8.21(89.14%) 0.000018479 - 1.815838214
138 RY*(14)C3 s(3.22%)p12.69(40.86%)d17.37(55.92%) 0.012547302 - 2.779327210
139 RY*(15)C3 s(0.00%)p1.00(3.69%)d26.13(96.31%) 0.000005474 - 3.278063665
140 RY*(16)C3 s(6.60%)p9.14(60.33%)d5.01(33.07%) 0.001323707 - 2.287977860
141 RY*(17)C3 s(0.00%)p1.00(73.88%)d0.35(26.12%) -0.000076657 - 0.506939316
142 RY*(18)C3 s(0.00%)p1.00(96.56%)d0.04(3.44%) 0.000152650 - 2.834596973
143 RY*(19)C3 s(0.35%)p23.23(8.09%)d99.99(91.56%) 0.000234632 - 3.373663796
144 RY*(20)C3 s(72.07%)p0.32(22.85%)d0.07(5.07%) 0.000297201 - 16.520367023
145 RY*(21)C3 s(2.25%)p12.45(28.00%)d31.01(69.75%) -0.005343098 - 2.970877565
146 RY*(1)C4 s(1.00%)p94.58(94.44%)d4.57(4.56%) 0.034228402 - 1.370419924
147 RY*(2)C4 s(1.45%)p59.66(86.21%)d8.54(12.34%) 0.027336007 - 1.353793699
148 RY*(3)C4 s(12.72%)p0.47(5.92%)d6.40(81.36%) 0.002623087 - 2.499971493
149 RY*(4)C4 s(0.00%)p1.00(62.83%)d0.59(37.17%) 0.000722913 - 1.108908277
150 RY*(5)C4 s(70.10%)p0.13(9.16%)d0.30(20.74%) 0.011891257 - 1.562566986
151 RY*(6)C4 s(3.73%)p7.29(27.14%)d18.55(69.13%) 0.005696165 - 3.325353655
152 RY*(7)C4 s(0.00%)p1.00(22.36%)d3.47(77.64%) 0.000431111 - 1.795777234
153 RY*(8)C4 s(0.00%)p1.00(10.48%)d8.54(89.52%) 0.000279332 - 2.930430733
154 RY*(9)C4 s(7.54%)p0.61(4.57%)d11.66(87.89%) 0.000223745 - 3.239657832
155 RY*(10)C4 s(12.64%)p5.54(69.99%)d1.38(17.38%) 0.000093097 - 2.939925820
156 RY*(11)C4 s(0.00%)p1.00(6.88%)d13.54(93.12%) 0.000100116 - 2.310789491
157 RY*(12)C4 s(1.35%)p10.30(13.88%)d62.89(84.77%) 0.023459590 - 3.332065316
158 RY*(13)C4 s(5.33%)p14.35(76.51%)d3.41(18.16%) 0.000493389 - 2.947722135
159 RY*(14)C4 s(4.07%)p2.86(11.64%)d20.71(84.29%) 0.000932777 - 2.973701855
160 RY*(15)C4 s(8.36%)p9.58(80.03%)d1.39(11.62%) -0.034020788 - 2.113370673
161 RY*(16)C4 s(8.51%)p10.43(88.75%)d0.32(2.74%) 0.084642518 - 3.265514646
162 RY*(17)C4 s(82.10%)p0.17(14.09%)d0.05(3.82%) -0.002791759 - 16.121176398
163 RY*(18)C4 s(0.00%)p1.00(92.01%)d0.09(7.99%) 0.000013494 - 0.660457677
164 RY*(19)C4 s(0.00%)p1.00(97.31%)d0.03(2.69%) 0.000031155 - 2.755405062
165 RY*(20)C4 s(0.71%)p1.84(1.31%)d99.99(97.97%) 0.000148820 - 3.819338453
166 RY*(21)C4 s(0.00%)p1.00(8.13%)d11.31(91.87%) 0.000004097 - 1.579533408
167 RY*(22)C4 s(80.57%)p0.20(16.39%)d0.04(3.04%) -0.282330190 - 2.111008150
168 RY*(1)C5 s(0.08%)p99.99(95.07%)d61.52(4.85%) 0.005474410 - 1.371013299
169 RY*(2)C5 s(1.80%)p47.40(85.43%)d7.08(12.76%) 0.004565296 - 1.319656560
170 RY*(3)C5 s(17.65%)p0.37(6.49%)d4.30(75.85%) 0.001277717 - 2.471534821
171 RY*(4)C5 s(0.00%)p1.00(51.97%)d0.92(48.03%) 0.000688474 - 1.333344200
172 RY*(5)C5 s(8.45%)p3.09(26.10%)d7.75(65.45%) 0.000926031 - 3.275581017
173 RY*(6)C5 s(53.84%)p0.06(3.49%)d0.79(42.67%) 0.000565972 - 1.477756620
174 RY*(7)C5 s(0.00%)p1.00(36.18%)d1.76(63.82%) 0.000505813 - 1.601513431
175 RY*(8)C5 s(0.00%)p1.00(7.36%)d12.59(92.64%) 0.000281439 - 2.939265739
176 RY*(9)C5 s(11.92%)p0.77(9.14%)d6.62(78.94%) 0.000300179 - 3.611062040
177 RY*(10)C5 s(6.93%)p11.06(76.62%)d2.37(16.45%) 0.003916332 - 3.247294556
178 RY*(11)C5 s(0.00%)p1.00(7.06%)d13.17(92.94%) 0.000120472 - 2.275553334
179 RY*(12)C5 s(5.55%)p4.94(27.39%)d12.09(67.07%) 0.006084783 - 2.920740527
180 RY*(13)C5 s(11.73%)p1.04(12.20%)d6.49(76.07%) 0.000662044 - 2.737575673
181 RY*(14)C5 s(4.22%)p18.25(77.02%)d4.45(18.76%) -0.002301750 - 2.238192148
182 RY*(15)C5 s(4.60%)p14.85(68.38%)d5.87(27.01%) 0.129221238 - 2.436379515
183 RY*(16)C5 s(7.41%)p11.12(82.44%)d1.37(10.15%) -0.080378327 - 1.741499575
184 RY*(17)C5 s(73.85%)p0.32(23.63%)d0.03(2.52%) 0.000294689 - 1.588107377
185 RY*(18)C5 s(0.00%)p1.00(91.20%)d0.10(8.80%) -0.000215658 - 0.516036426
186 RY*(19)C5 s(0.00%)p1.00(98.09%)d0.02(1.91%) 0.000070226 - 2.875770950
187 RY*(20)C5 s(0.14%)p14.96(2.07%)d99.99(97.79%) 0.000006954 - 3.577574747
188 RY*(21)C5 s(0.00%)p1.00(8.16%)d11.26(91.84%) 0.000000978 - 1.561093769
189 RY*(22)C5 s(91.98%)p0.05(4.56%)d0.04(3.46%) -0.000833980 - 18.986714065
190 RY*(1)C6 s(0.32%)p99.99(91.94%)d24.43(7.75%) 0.006991418 - 1.276624406
191 RY*(2)C6 s(0.07%)p99.99(94.28%)d78.25(5.65%) 0.002220986 - 1.185009853
192 RY*(3)C6 s(66.34%)p0.10(6.66%)d0.41(27.00%) 0.000150595 - 1.533739991
193 RY*(4)C6 s(0.00%)p1.00(83.75%)d0.19(16.25%) 0.000851124 - 0.544917700
194 RY*(5)C6 s(5.10%)p6.70(34.15%)d11.92(60.75%) 0.000333699 - 2.131304073
195 RY*(6)C6 s(0.00%)p1.00(7.11%)d13.07(92.89%) 0.000594539 - 2.120639715
196 RY*(7)C6 s(17.69%)p0.70(12.42%)d3.95(69.89%) 0.002423562 - 1.956395728
197 RY*(8)C6 s(13.48%)p1.49(20.13%)d4.93(66.39%) 0.007750414 - 2.501480092
198 RY*(9)C6 s(0.00%)p1.00(24.20%)d3.13(75.80%) 0.000075580 - 1.379374159
199 RY*(10)C6 s(9.83%)p6.85(67.32%)d2.32(22.85%) 0.001059731 - 4.403260246
200 RY*(11)C6 s(6.28%)p7.20(45.21%)d7.72(48.51%) 0.004204385 - 1.984973548
201 RY*(12)C6 s(0.00%)p1.00(10.86%)d8.21(89.14%) 0.000066097 - 1.817187156
202 RY*(13)C6 s(17.83%)p2.99(53.38%)d1.62(28.80%) 0.002884420 - 2.706574898
203 RY*(14)C6 s(0.83%)p35.15(29.15%)d84.44(70.02%) 0.000604860 - 3.382486878
204 RY*(15)C6 s(0.00%)p1.00(70.71%)d0.41(29.29%) 0.000086069 - 0.620200506
205 RY*(16)C6 s(0.00%)p1.00(7.62%)d12.13(92.38%) 0.000005215 - 3.164374863
206 RY*(17)C6 s(25.94%)p0.61(15.76%)d2.25(58.29%) -0.009556252 - 2.917285561
207 RY*(18)C6 s(0.00%)p1.00(95.80%)d0.04(4.20%) 0.000062607 - 2.831331974
208 RY*(19)C6 s(6.76%)p11.97(80.96%)d1.81(12.27%) 0.000516280 - 3.449741813
209 RY*(20)C6 s(0.03%)p98.23(2.83%)d99.99(97.14%) -0.005384201 - 3.548978683
210 RY*(21)C6 s(74.51%)p0.17(12.98%)d0.17(12.51%) 0.008184016 - 14.956608686
211 RY*(22)C6 s(55.11%)p0.60(32.97%)d0.22(11.93%) 0.000961582 - 2.753090029
212 RY*(1)H7 s(99.99%)p0.00(0.01%) 0.001216525 - 1.375464315
213 RY*(2)H7 s(0.00%)p1.00(100.00%) 0.001193296 - 1.958468444
214 RY*(3)H7 s(85.28%)p0.17(14.72%) 0.007166837 - 2.074477478
215 RY*(4)H7 s(8.90%)p10.23(91.10%) 0.000540289 - 2.573896276
216 RY*(5)H7 s(5.87%)p16.04(94.13%) 0.001936701 - 2.646176963
217 RY*(1)C8 s(1.22%)p76.71(93.36%)d4.45(5.42%) 0.006278132 - 1.447019212
218 RY*(2)C8 s(0.02%)p99.99(97.23%)d99.99(2.76%) 0.002910260 - 1.056015677
219 RY*(3)C8 s(0.00%)p1.00(92.38%)d0.08(7.62%) 0.000864427 - 0.593815518
220 RY*(4)C8 s(0.00%)p1.00(3.43%)d28.14(96.57%) 0.000582397 - 1.935157665
221 RY*(5)C8 s(79.22%)p0.14(10.74%)d0.13(10.04%) 0.000605265 - 1.077665697
222 RY*(6)C8 s(1.38%)p26.68(36.82%)d44.77(61.80%) 0.000327992 - 3.112001672
223 RY*(7)C8 s(10.96%)p0.90(9.86%)d7.23(79.18%) 0.000061035 - 2.313354208
224 RY*(8)C8 s(2.13%)p2.24(4.78%)d43.64(93.09%) -0.001227152 - 2.043526446
225 RY*(9)C8 s(0.00%)p1.00(18.84%)d4.31(81.16%) 0.000153652 - 0.930523508
226 RY*(10)C8 s(6.37%)p11.99(76.39%)d2.71(17.24%) 0.000229673 - 3.760669116
227 RY*(11)C8 s(4.71%)p16.91(79.66%)d3.32(15.63%) 0.001078463 - 1.605165260
228 RY*(12)C8 s(2.12%)p18.24(38.67%)d27.92(59.21%) 0.000081589 - 2.508805109
229 RY*(13)C8 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000030366 - 2.578838642
230 RY*(14)C8 s(0.19%)p99.99(97.24%)d13.49(2.57%) 0.001116068 - 1.379178233
231 RY*(15)C8 s(0.18%)p99.99(41.02%)d99.99(58.81%) 0.000207525 - 3.300898559
232 RY*(16)C8 s(0.00%)p1.00(82.64%)d0.21(17.36%) 0.000022549 - 0.543601779
233 RY*(17)C8 s(91.62%)p0.07(6.47%)d0.02(1.91%) -0.001445192 - 19.197087015
234 RY*(18)C8 s(0.08%)p67.52(5.12%)d99.99(94.80%) 0.000058271 - 3.500152072
235 RY*(19)C8 s(0.13%)p19.64(2.65%)d99.99(97.22%) 0.000173373 - 3.623987226
236 RY*(20)C8 s(0.00%)p1.00(4.15%)d23.08(95.85%) 0.000006061 - 3.280661297
237 RY*(21)C8 s(0.00%)p1.00(98.59%)d0.01(1.41%) 0.000002784 - 2.770841791
238 RY*(1)C9 s(0.88%)p99.99(94.63%)d5.13(4.49%) 0.006594955 - 1.302008544
239 RY*(2)C9 s(5.32%)p15.22(80.93%)d2.59(13.75%) 0.004112008 - 1.357588114
240 RY*(3)C9 s(27.36%)p0.18(4.86%)d2.48(67.78%) 0.000971641 - 2.112030220
241 RY*(4)C9 s(0.00%)p1.00(62.83%)d0.59(37.17%) 0.000732809 - 1.108553929
242 RY*(5)C9 s(46.90%)p0.18(8.24%)d0.96(44.87%) 0.000087343 - 1.721766201
243 RY*(6)C9 s(8.84%)p3.56(31.45%)d6.76(59.72%) 0.001887579 - 3.166614788
244 RY*(7)C9 s(0.00%)p1.00(22.36%)d3.47(77.64%) 0.000405365 - 1.795668088
245 RY*(8)C9 s(0.00%)p1.00(10.48%)d8.54(89.52%) 0.000278643 - 2.930131632
246 RY*(9)C9 s(8.58%)p0.22(1.86%)d10.44(89.56%) 0.000044998 - 3.358712704
247 RY*(10)C9 s(5.25%)p14.90(78.27%)d3.14(16.48%) 0.001561292 - 2.960709002
248 RY*(11)C9 s(0.00%)p1.00(6.88%)d13.54(93.12%) 0.000107508 - 2.309852836
249 RY*(12)C9 s(13.71%)p4.67(64.10%)d1.62(22.19%) 0.000361756 - 3.162011375
250 RY*(13)C9 s(0.38%)p47.36(17.85%)d99.99(81.78%) 0.000032404 - 3.243671426
251 RY*(14)C9 s(5.73%)p2.03(11.62%)d14.43(82.65%) -0.013708780 - 2.975103350
252 RY*(15)C9 s(10.53%)p7.97(83.96%)d0.52(5.51%) 0.001244362 - 0.970064038
253 RY*(16)C9 s(10.38%)p8.26(85.70%)d0.38(3.93%) 0.000037057 - 3.402242637
254 RY*(17)C9 s(0.00%)p1.00(91.88%)d0.09(8.12%) 0.000002844 - 0.630972761
255 RY*(18)C9 s(64.99%)p0.46(30.19%)d0.07(4.82%) 0.000829022 - 4.414582119
256 RY*(19)C9 s(0.00%)p1.00(97.44%)d0.03(2.56%) -0.000031478 - 2.758494169
257 RY*(20)C9 s(0.07%)p9.99(0.75%)d99.99(99.18%) -0.000132739 - 3.618292316
258 RY*(21)C9 s(0.00%)p1.00(8.12%)d11.31(91.88%) 0.000001035 - 1.562382405
259 RY*(22)C9 s(91.26%)p0.06(5.64%)d0.03(3.10%) 0.069445074 - 15.028703234
260 RY*(1)C10 s(0.15%)p99.99(94.69%)d33.54(5.15%) 0.007149336 - 1.599366399
261 RY*(2)C10 s(0.37%)p99.99(88.60%)d29.41(11.02%) 0.004796425 - 1.343115885
262 RY*(3)C10 s(5.36%)p1.21(6.47%)d16.44(88.16%) 0.000899279 - 2.884802204
263 RY*(4)C10 s(0.00%)p1.00(51.97%)d0.92(48.03%) 0.000775841 - 1.335823067
264 RY*(5)C10 s(68.77%)p0.15(10.43%)d0.30(20.80%) 0.000209006 - 1.390486442
265 RY*(6)C10 s(3.11%)p6.31(19.62%)d24.87(77.27%) 0.000577742 - 3.289214621
266 RY*(7)C10 s(0.00%)p1.00(36.18%)d1.76(63.82%) 0.000445844 - 1.600625738
267 RY*(8)C10 s(0.00%)p1.00(7.36%)d12.59(92.64%) 0.000301070 - 2.939272172
268 RY*(9)C10 s(15.84%)p0.96(15.29%)d4.35(68.87%) 0.000193111 - 3.058281463
269 RY*(10)C10 s(0.00%)p1.00(7.06%)d13.17(92.94%) 0.000106631 - 2.270990358
270 RY*(11)C10 s(13.70%)p5.12(70.13%)d1.18(16.17%) 0.013276817 - 2.520645693
271 RY*(12)C10 s(12.59%)p1.50(18.94%)d5.44(68.47%) 0.001015975 - 3.559511398
272 RY*(13)C10 s(11.95%)p2.70(32.26%)d4.67(55.80%) -0.001863986 - 2.474589634
273 RY*(14)C10 s(11.01%)p5.23(57.55%)d2.86(31.44%) 0.003184761 - 3.193986860
274 RY*(15)C10 s(2.26%)p26.23(59.32%)d16.98(38.41%) 0.005736336 - 3.100040890
275 RY*(16)C10 s(14.36%)p5.06(72.73%)d0.90(12.91%) 0.000120500 - 2.397970016
276 RY*(17)C10 s(46.11%)p1.09(50.27%)d0.08(3.62%) 0.000036701 - 4.198432997
277 RY*(18)C10 s(0.00%)p1.00(91.15%)d0.10(8.85%) 0.000000214 - 0.511168786
278 RY*(19)C10 s(0.00%)p1.00(8.17%)d11.24(91.83%) 0.000002159 - 1.560987058
279 RY*(20)C10 s(1.26%)p1.22(1.53%)d77.42(97.21%) -0.005762127 - 3.624806528
280 RY*(21)C10 s(0.00%)p1.00(98.12%)d0.02(1.88%) 0.000001110 - 2.879877153
281 RY*(22)C10 s(93.30%)p0.02(2.19%)d0.05(4.51%) 0.000031881 - 14.475616073
282 RY*(1)C11 s(5.85%)p14.97(87.64%)d1.11(6.51%) 0.005742791 - 1.229799139
283 RY*(2)C11 s(0.01%)p1.00(97.23%)d0.03(2.76%) 0.001996115 - 1.055542548
284 RY*(3)C11 s(0.00%)p1.00(92.38%)d0.08(7.62%) 0.000880757 - 0.594361080
285 RY*(4)C11 s(57.19%)p0.19(10.70%)d0.56(32.12%) 0.000109810 - 2.479614029
286 RY*(5)C11 s(0.00%)p1.00(3.43%)d28.14(96.57%) 0.000563426 - 1.935106573
287 RY*(6)C11 s(10.00%)p3.13(31.33%)d5.87(58.68%) 0.000316839 - 2.651328741
288 RY*(7)C11 s(14.33%)p2.18(31.25%)d3.80(54.42%) 0.000337962 - 2.406680028
289 RY*(8)C11 s(1.44%)p17.82(25.69%)d50.56(72.87%) 0.000247492 - 2.513010477
290 RY*(9)C11 s(0.00%)p1.00(18.84%)d4.31(81.16%) 0.000128043 - 0.930364002
291 RY*(10)C11 s(3.45%)p15.90(54.80%)d12.12(41.75%) 0.005672513 - 2.138309977
292 RY*(11)C11 s(5.80%)p11.37(65.97%)d4.86(28.23%) -0.027245152 - 2.221371273
293 RY*(12)C11 s(9.51%)p4.26(40.51%)d5.26(49.98%) -0.000379528 - 2.435870223
294 RY*(13)C11 s(0.39%)p99.34(38.51%)d99.99(61.10%) -0.000110722 - 3.378668639
295 RY*(14)C11 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000029798 - 2.578844048
296 RY*(15)C11 s(90.01%)p0.03(3.00%)d0.08(6.99%) 0.014781177 - 8.711931672
297 RY*(16)C11 s(5.55%)p16.81(93.26%)d0.22(1.20%) 0.001886955 - 1.625834654
298 RY*(17)C11 s(0.00%)p1.00(81.29%)d0.23(18.71%) 0.000005415 - 0.555092397
299 RY*(18)C11 s(0.00%)p1.00(98.70%)d0.01(1.30%) 0.000003090 - 2.788790584
300 RY*(19)C11 s(93.65%)p0.06(5.78%)d0.01(0.57%) 0.000033307 - 11.621456833
301 RY*(20)C11 s(0.86%)p6.61(5.67%)d99.99(93.47%) 0.000029693 - 3.523968800
302 RY*(21)C11 s(0.00%)p1.00(5.39%)d17.56(94.61%) 0.000001617 - 3.248563164
303 RY*(22)C11 s(2.11%)p4.16(8.78%)d42.27(89.11%) -0.000248746 - 3.546017427
304 RY*(1)H12 s(99.98%)p0.00(0.02%) 0.002107318 - 0.469935746
305 RY*(2)H12 s(89.21%)p0.12(10.79%) 0.000196020 - 2.400218368
306 RY*(3)H12 s(0.00%)p1.00(100.00%) 0.000207802 - 1.978300831
307 RY*(4)H12 s(9.90%)p9.10(90.10%) 0.000138172 - 2.923159381
308 RY*(5)H12 s(0.93%)p99.99(99.07%) 0.000078348 - 2.660263989
309 RY*(1)C13 s(0.24%)p99.99(91.77%)d32.89(7.99%) 0.006318981 - 1.320379353
310 RY*(2)C13 s(0.08%)p99.99(94.71%)d69.10(5.22%) 0.000856468 - 1.177658570
311 RY*(3)C13 s(63.66%)p0.10(6.65%)d0.47(29.69%) 0.006605453 - 1.608478696
312 RY*(4)C13 s(0.00%)p1.00(83.75%)d0.19(16.25%) 0.000848286 - 0.544118756
313 RY*(5)C13 s(3.57%)p10.73(38.31%)d16.28(58.12%) 0.000569324 - 2.076283034
314 RY*(6)C13 s(0.00%)p1.00(7.11%)d13.07(92.89%) 0.000433475 - 2.118843351
315 RY*(7)C13 s(21.43%)p0.58(12.42%)d3.09(66.16%) 0.000254009 - 1.837962000
316 RY*(8)C13 s(16.85%)p0.75(12.67%)d4.18(70.49%) 0.000175846 - 2.308689663
317 RY*(9)C13 s(0.00%)p1.00(24.20%)d3.13(75.80%) 0.000072596 - 1.379107212
318 RY*(10)C13 s(9.20%)p7.60(69.89%)d2.27(20.91%) -0.000606552 - 4.255888416
319 RY*(11)C13 s(4.75%)p10.08(47.85%)d9.99(47.40%) -0.005251270 - 2.135203232
320 RY*(12)C13 s(0.00%)p1.00(10.86%)d8.21(89.14%) 0.000019329 - 1.815591544
321 RY*(13)C13 s(83.62%)p0.18(15.38%)d0.01(1.00%) 0.000017789 - 15.746185907
322 RY*(14)C13 s(2.37%)p21.82(51.62%)d19.45(46.02%) -0.004754116 - 2.234202715
323 RY*(15)C13 s(14.70%)p0.31(4.58%)d5.49(80.73%) -0.003121492 - 3.794703471
324 RY*(16)C13 s(0.00%)p1.00(7.17%)d12.94(92.83%) 0.000000057 - 3.176731384
325 RY*(17)C13 s(12.55%)p3.76(47.14%)d3.21(40.31%) 0.000014201 - 2.259275749
326 RY*(18)C13 s(0.00%)p1.00(71.01%)d0.41(28.99%) 0.000000655 - 0.607088698
327 RY*(19)C13 s(0.00%)p1.00(95.94%)d0.04(4.06%) 0.000000466 - 2.830461340
328 RY*(20)C13 s(1.86%)p2.60(4.82%)d50.24(93.32%) 0.000012019 - 3.468362966
329 RY*(21)C13 s(3.42%)p27.10(92.82%)d1.10(3.75%) 0.000012401 - 3.044881360
330 RY*(22)C13 s(61.84%)p0.15(9.50%)d0.46(28.66%) 0.000201695 - 3.228201534
331 RY*(1)C14 s(0.11%)p99.99(88.48%)d99.99(11.41%) 0.006178914 - 1.247982792
332 RY*(2)C14 s(1.53%)p63.81(97.75%)d0.47(0.72%) 0.002226200 - 1.383346880
333 RY*(3)C14 s(0.00%)p1.00(83.83%)d0.19(16.17%) 0.001254501 - 0.570470310
334 RY*(4)C14 s(22.70%)p1.15(26.22%)d2.25(51.08%) 0.000929004 - 1.637082109
335 RY*(5)C14 s(21.15%)p1.20(25.32%)d2.53(53.53%) 0.000498352 - 1.873175542
336 RY*(6)C14 s(0.00%)p1.00(5.15%)d18.44(94.85%) 0.000288509 - 2.944733380
337 RY*(7)C14 s(53.92%)p0.46(24.66%)d0.40(21.42%) 0.008394239 - 2.805468929
338 RY*(8)C14 s(32.30%)p0.13(4.20%)d1.97(63.50%) 0.014871367 - 2.033183225
339 RY*(9)C14 s(0.00%)p1.00(14.84%)d5.74(85.16%) 0.000042826 - 1.049958191
340 RY*(10)C14 s(6.34%)p6.15(39.01%)d8.61(54.65%) 0.000048012 - 2.883379462
341 RY*(11)C14 s(10.90%)p1.62(17.69%)d6.55(71.41%) 0.000038297 - 2.301961083
342 RY*(12)C14 s(9.04%)p5.31(47.95%)d4.76(43.02%) 0.000012080 - 2.108137378
343 RY*(13)C14 s(13.64%)p4.51(61.46%)d1.83(24.91%) 0.000044265 - 1.662352454
344 RY*(14)C14 s(5.98%)p9.97(59.66%)d5.74(34.36%) -0.000008147 - 2.422221170
345 RY*(15)C14 s(0.00%)p1.00(97.35%)d0.03(2.65%) 0.000000893 - 0.384562957
346 RY*(16)C14 s(0.00%)p1.00(0.79%)d99.99(99.21%) 0.000000095 - 2.062035632
347 RY*(17)C14 s(0.00%)p1.00(93.47%)d0.07(6.53%) 0.000000142 - 2.736558513
348 RY*(18)C14 s(7.49%)p9.15(68.57%)d3.20(23.94%) -0.000036431 - 2.643605516
349 RY*(19)C14 s(0.00%)p1.00(4.61%)d20.68(95.39%) 0.000000057 - 2.614654465
350 RY*(20)C14 s(3.25%)p4.82(15.64%)d25.00(81.12%) 0.007056908 - 3.119841245
351 RY*(21)C14 s(98.93%)p0.00(0.07%)d0.01(1.00%) 0.001078908 - 19.269901992
352 RY*(22)C14 s(12.85%)p1.83(23.48%)d4.95(63.67%) 0.000014261 - 2.320797666
353 RY*(1)C15 s(0.96%)p93.97(90.37%)d9.01(8.67%) 0.006699277 - 1.199598245
354 RY*(2)C15 s(0.44%)p99.99(99.17%)d0.89(0.39%) 0.001895152 - 1.291860161
355 RY*(3)C15 s(0.00%)p1.00(83.83%)d0.19(16.17%) 0.001252889 - 0.570468401
356 RY*(4)C15 s(29.84%)p0.79(23.59%)d1.56(46.57%) 0.000520413 - 1.531287288
357 RY*(5)C15 s(23.45%)p0.84(19.70%)d2.42(56.85%) 0.000645111 - 1.823327018
358 RY*(6)C15 s(0.00%)p1.00(5.15%)d18.44(94.85%) 0.000287781 - 2.944733676
359 RY*(7)C15 s(14.18%)p0.56(7.90%)d5.49(77.92%) 0.000542606 - 2.567046584
360 RY*(8)C15 s(36.94%)p0.35(12.98%)d1.36(50.08%) -0.000210659 - 1.895572825
361 RY*(9)C15 s(10.21%)p7.02(71.69%)d1.77(18.10%) 0.000531471 - 3.285179050
362 RY*(10)C15 s(2.94%)p22.67(66.59%)d10.37(30.47%) 0.000051192 - 2.618726710
363 RY*(11)C15 s(0.00%)p1.00(14.84%)d5.74(85.16%) 0.000042808 - 1.049958146
364 RY*(12)C15 s(8.19%)p3.21(26.23%)d8.01(65.58%) 0.000204243 - 3.026538263
365 RY*(13)C15 s(1.31%)p50.61(66.34%)d24.68(32.35%) 0.000052990 - 2.417429153
366 RY*(14)C15 s(1.72%)p15.80(27.22%)d41.24(71.05%) 0.000011949 - 2.278354103
367 RY*(15)C15 s(38.29%)p0.89(33.92%)d0.73(27.79%) 0.000033720 - 3.222701612
368 RY*(16)C15 s(0.00%)p1.00(0.91%)d99.99(99.09%) -0.000019834 - 1.990584210
369 RY*(17)C15 s(0.00%)p1.00(97.37%)d0.03(2.63%) -0.000010677 - 0.386189817
370 RY*(18)C15 s(0.00%)p1.00(93.12%)d0.07(6.88%) 0.000000147 - 2.737217780
371 RY*(19)C15 s(81.55%)p0.17(13.86%)d0.06(4.59%) 0.000146460 - 17.858895897
372 RY*(20)C15 s(0.84%)p3.46(2.89%)d99.99(96.27%) 0.012047124 - 3.475787100
373 RY*(21)C15 s(0.00%)p1.00(4.81%)d19.78(95.19%) 0.000000185 - 2.683876695
374 RY*(22)C15 s(49.22%)p0.77(37.72%)d0.27(13.07%) -0.000093857 - 1.594666221
375 RY*(1)C16 s(0.20%)p99.99(91.98%)d38.89(7.82%) 0.005618052 - 1.242723747
376 RY*(2)C16 s(2.91%)p31.15(90.55%)d2.25(6.54%) 0.003475173 - 1.186350074
377 RY*(3)C16 s(0.00%)p1.00(83.75%)d0.19(16.25%) 0.000845086 - 0.544083089
378 RY*(4)C16 s(22.74%)p1.24(28.19%)d2.16(49.07%) 0.000811613 - 1.878381290
379 RY*(5)C16 s(0.00%)p1.00(7.11%)d13.07(92.89%) 0.000437768 - 2.118840021
380 RY*(6)C16 s(2.36%)p3.99(9.41%)d37.39(88.23%) 0.000348927 - 1.696602391
381 RY*(7)C16 s(28.69%)p0.29(8.27%)d2.20(63.04%) 0.000207429 - 1.447965286
382 RY*(8)C16 s(34.89%)p0.52(18.20%)d1.34(46.91%) 0.000235826 - 2.094753799
383 RY*(9)C16 s(17.33%)p3.35(58.10%)d1.42(24.57%) -0.001476110 - 5.690293095
384 RY*(10)C16 s(0.00%)p1.00(24.20%)d3.13(75.80%) 0.000076627 - 1.379103111
385 RY*(11)C16 s(3.41%)p17.42(59.40%)d10.91(37.19%) -0.000999453 - 2.299400860
386 RY*(12)C16 s(0.00%)p1.00(10.86%)d8.21(89.14%) 0.000018821 - 1.815585829
387 RY*(13)C16 s(2.28%)p32.23(73.44%)d10.65(24.28%) -0.000629411 - 3.354359416
388 RY*(14)C16 s(1.88%)p20.63(38.77%)d31.58(59.35%) 0.000042864 - 2.517651563
389 RY*(15)C16 s(0.00%)p1.00(3.80%)d25.35(96.20%) 0.000000140 - 3.276257871
390 RY*(16)C16 s(5.15%)p14.12(72.67%)d4.31(22.18%) 0.010930215 - 2.153944933
391 RY*(17)C16 s(0.00%)p1.00(74.04%)d0.35(25.96%) 0.000009588 - 0.510195356
392 RY*(18)C16 s(0.00%)p1.00(96.29%)d0.04(3.71%) 0.000000804 - 2.827820595
393 RY*(19)C16 s(0.85%)p10.68(9.06%)d99.99(90.09%) -0.001150380 - 3.370639549
394 RY*(20)C16 s(77.46%)p0.26(20.37%)d0.03(2.16%) 0.000020208 - 17.536757338
395 RY*(21)C16 s(0.29%)p74.54(21.58%)d99.99(78.14%) 0.001914053 - 2.942269465
396 RY*(1)H17 s(99.78%)p0.00(0.22%) 0.000763344 - 1.531322564
397 RY*(2)H17 s(0.00%)p1.00(100.00%) 0.000208464 - 1.948430757
398 RY*(3)H17 s(89.10%)p0.12(10.90%) 0.000056377 - 1.931979114
399 RY*(4)H17 s(6.87%)p13.55(93.13%) 0.000000499 - 2.603011577
400 RY*(5)H17 s(4.29%)p22.33(95.71%) 0.000037582 - 2.615861656
401 RY*(1)H18 s(97.91%)p0.02(2.09%) 0.000530738 - 1.090900472
402 RY*(2)H18 s(0.00%)p1.00(100.00%) 0.000208056 - 1.916160842
403 RY*(3)H18 s(98.32%)p0.02(1.68%) 0.000154076 - 2.072152433
404 RY*(4)H18 s(0.58%)p99.99(99.42%) 0.000036136 - 2.605034385
405 RY*(5)H18 s(3.23%)p29.96(96.77%) 0.000048489 - 2.703206625
406 RY*(1)H19 s(98.85%)p0.01(1.15%) 0.000548953 - 1.152914729
407 RY*(2)H19 s(0.00%)p1.00(100.00%) 0.000207718 - 1.916168627
408 RY*(3)H19 s(93.92%)p0.06(6.08%) 0.000209609 - 2.132329883
409 RY*(4)H19 s(4.35%)p22.01(95.65%) 0.000046297 - 2.670974644
410 RY*(5)H19 s(2.92%)p33.23(97.08%) 0.000036223 - 2.577250858
411 RY*(1)H20 s(99.98%)p0.00(0.02%) 0.000719855 - 1.423076564
412 RY*(2)H20 s(0.00%)p1.00(100.00%) 0.000207614 - 1.948430852
413 RY*(3)H20 s(87.89%)p0.14(12.11%) 0.000169120 - 1.978138588
414 RY*(4)H20 s(5.68%)p16.60(94.32%) 0.000069881 - 2.602198921
415 RY*(5)H20 s(6.50%)p14.39(93.50%) 0.000032509 - 2.610045467
416 RY*(1)H21 s(99.90%)p0.00(0.10%) 0.002376501 - 0.780811998
417 RY*(2)H21 s(88.94%)p0.12(11.06%) 0.000229043 - 2.451224947
418 RY*(3)H21 s(0.00%)p1.00(100.00%) 0.000238028 - 1.978457605
419 RY*(4)H21 s(0.01%)p1.00(99.99%) -0.000834636 - 2.660178094
420 RY*(5)H21 s(11.18%)p7.94(88.82%) 0.002050334 - 2.917076689
421 RY*(1)H22 s(99.63%)p0.00(0.37%) 0.000931376 - 1.554911445
422 RY*(2)H22 s(0.00%)p1.00(100.00%) 0.000233708 - 1.950709592
423 RY*(3)H22 s(90.77%)p0.10(9.23%) 0.000987345 - 1.893614777
424 RY*(4)H22 s(5.43%)p17.41(94.57%) 0.000807219 - 2.614445838
425 RY*(5)H22 s(4.21%)p22.77(95.79%) 0.005343357 - 2.632164822
426 RY*(1)H23 s(97.99%)p0.02(2.01%) -0.000419685 - 1.091244690
427 RY*(2)H23 s(0.00%)p1.00(100.00%) 0.001127222 - 1.916164932
428 RY*(3)H23 s(98.11%)p0.02(1.89%) 0.002081929 - 2.074400738
429 RY*(4)H23 s(0.69%)p99.99(99.31%) 0.000977200 - 2.720967398
430 RY*(5)H23 s(3.26%)p29.67(96.74%) 0.005151624 - 2.714961739
431 RY*(1)H24 s(98.76%)p0.01(1.24%) 0.035648348 - 1.118508215
432 RY*(2)H24 s(0.00%)p1.00(100.00%) 0.130892811 - 1.373734668
433 RY*(3)H24 s(94.11%)p0.06(5.89%) 0.159495664 - 3.419640987
434 RY*(4)H24 s(4.32%)p22.13(95.68%) 0.852462996 - 4.110584931
435 RY*(5)H24 s(2.85%)p34.04(97.15%) 0.443940100 - 1.206507678
436 - **********
437 - **********
438 - **********

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-C2 1, 2 1.977394263 - -0.679953961
2 BD(1)C1-C6 3, 4 1.981447153 - -0.719882099
3 BD(2)C1-C6 5, 6 1.773546409 - -0.255976771
4 BD(1)C1-H24 7, 8 2.118220857 - -0.557180223
5 BD(1)C2-C3 9, 10 1.972445138 - -0.705137705
6 BD(2)C2-C3 11, 12 1.774294231 - -0.261649971
7 BD(1)C2-H23 13, 14 1.979627562 - -0.517010025
8 BD(1)C3-C4 15, 16 1.973133430 - -0.673696438
9 BD(1)C3-H22 17, 18 1.978837148 - -0.514017976
10 BD(1)C4-C5 19, 20 1.960900509 - -0.657758004
11 BD(1)C4-C11 21, 22 1.973917669 - -0.694193995
12 BD(1)C5-C6 23, 24 1.972705352 - -0.673888655
13 BD(1)C5-C8 25, 26 2.006256384 - -0.600954036
14 BD(2)C5-C8 27, 28 1.620388364 - -0.248904227
15 BD(1)C6-H7 29, 30 1.978008978 - -0.515745162
16 BD(1)C8-C9 31, 32 1.974488563 - -0.690546330
17 BD(1)C8-H21 33, 34 1.988722862 - -0.482646729
18 BD(1)C9-C10 35, 36 1.960794271 - -0.657894571
19 BD(1)C9-C16 37, 38 1.972954448 - -0.673195270
20 BD(1)C10-C11 39, 40 1.973933947 - -0.694211640
21 BD(2)C10-C11 41, 42 1.620017143 - -0.248873734
22 BD(1)C10-C13 43, 44 1.976871458 - -0.660632696
23 BD(1)C11-H12 45, 46 1.987255299 - -0.480765406
24 BD(1)C13-C14 47, 48 1.981129973 - -0.712353489
25 BD(2)C13-C14 49, 50 1.778790445 - -0.243114766
26 BD(1)C13-H20 51, 52 1.978293646 - -0.514448213
27 BD(1)C14-C15 53, 54 1.978388541 - -0.675263384
28 BD(1)C14-H19 55, 56 1.979046161 - -0.516584485
29 BD(1)C15-C16 57, 58 1.978534719 - -0.716245668
30 BD(2)C15-C16 59, 60 1.774253544 - -0.261360954
31 BD(1)C15-H18 61, 62 1.980161867 - -0.514773604
32 BD(1)C16-H17 63, 64 1.978853759 - -0.515161175
33 CR(1)C1 65 1.999199526 - -10.032269924
34 CR(1)C2 66 1.999176019 - -10.031497206
35 CR(1)C3 67 1.998981288 - -10.030433136
36 CR(1)C4 68 1.999041359 - -10.035235049
37 CR(1)C5 69 1.998994267 - -10.036064697
38 CR(1)C6 70 1.999585143 - -10.029567646
39 CR(1)C8 71 1.999009568 - -10.024376836
40 CR(1)C9 72 2.001046681 - -10.027905502
41 CR(1)C10 73 1.998987918 - -10.036145620
42 CR(1)C11 74 1.999029636 - -10.026835136
43 CR(1)C13 75 2.000047291 - -10.025615317
44 CR(1)C14 76 2.002520939 - -9.995812557
45 CR(1)C15 77 1.999181687 - -10.031395105
46 CR(1)C16 78 1.998910388 - -10.031510911
47 LP(1)C4 79 1.001041645 - -0.104361086
48 LP*(1)C9 80 1.001930957 - -0.104336048
49 RY*(1)C1 81 0.007814810 - 1.286343205
50 RY*(2)C1 82 0.002118264 - 1.387650189
51 RY*(3)C1 83 0.001253434 - 0.568349895
52 RY*(4)C1 84 0.000704177 - 1.640589143
53 RY*(5)C1 85 0.002048891 - 1.877556961
54 RY*(6)C1 86 0.000971862 - 2.950131326
55 RY*(7)C1 87 0.036290904 - 3.068420631
56 RY*(8)C1 88 0.008370461 - 2.049580340
57 RY*(9)C1 89 0.000064039 - 1.059219642
58 RY*(10)C1 90 0.002915893 - 2.916162860
59 RY*(11)C1 91 0.001679066 - 2.061258259
60 RY*(12)C1 92 0.011189716 - 3.575111766
61 RY*(13)C1 93 0.003823686 - 1.956914114
62 RY*(14)C1 94 0.000813208 - 2.826337504
63 RY*(15)C1 95 0.011547168 - 2.630562462
64 RY*(16)C1 96 0.000017791 - 2.067053479
65 RY*(17)C1 97 0.000474912 - 0.383493021
66 RY*(18)C1 98 0.017222560 - 2.736710858
67 RY*(19)C1 99 0.000209023 - 2.745901661
68 RY*(20)C1 100 0.030168894 - 3.592060001
69 RY*(21)C1 101 0.001492000 - 2.619619203
70 RY*(22)C1 102 0.011969726 - 17.201169487
71 RY*(1)C2 103 0.007079230 - 1.212619610
72 RY*(2)C2 104 0.002504642 - 1.286742864
73 RY*(3)C2 105 0.001539650 - 0.572549526
74 RY*(4)C2 106 0.001061378 - 1.528217384
75 RY*(5)C2 107 0.000571147 - 1.810525227
76 RY*(6)C2 108 0.000788706 - 2.946178026
77 RY*(7)C2 109 0.000185647 - 2.555690470
78 RY*(8)C2 110 0.000265683 - 2.087694156
79 RY*(9)C2 111 0.003029463 - 2.543418728
80 RY*(10)C2 112 0.000587046 - 3.288521204
81 RY*(11)C2 113 0.000042744 - 1.049703379
82 RY*(12)C2 114 0.002102317 - 2.668387952
83 RY*(13)C2 115 0.000111185 - 3.672215726
84 RY*(14)C2 116 0.001246400 - 2.446079967
85 RY*(15)C2 117 0.000812486 - 3.018725725
86 RY*(16)C2 118 0.000000724 - 1.987071829
87 RY*(17)C2 119 0.000092474 - 0.387230827
88 RY*(18)C2 120 0.000060832 - 2.738097372
89 RY*(19)C2 121 0.000058521 - 1.270089848
90 RY*(20)C2 122 0.000011523 - 3.436160072
91 RY*(21)C2 123 0.000033176 - 2.688238047
92 RY*(22)C2 124 0.000576007 - 17.317545863
93 RY*(1)C3 125 0.006536356 - 1.253713794
94 RY*(2)C3 126 0.002640678 - 1.168560545
95 RY*(3)C3 127 0.000780495 - 0.544251845
96 RY*(4)C3 128 0.002470313 - 1.986559311
97 RY*(5)C3 129 0.000580303 - 2.120681900
98 RY*(6)C3 130 0.000784633 - 1.807737209
99 RY*(7)C3 131 0.000386094 - 1.156908380
100 RY*(8)C3 132 0.001097727 - 3.286806629
101 RY*(9)C3 133 0.000070997 - 1.379056848
102 RY*(10)C3 134 0.000191366 - 5.050490097
103 RY*(11)C3 135 0.003662017 - 3.571421374
104 RY*(12)C3 136 0.000662068 - 2.293637507
105 RY*(13)C3 137 0.000020597 - 1.815596174
106 RY*(14)C3 138 0.001164286 - 2.782681191
107 RY*(15)C3 139 0.000064363 - 3.278183208
108 RY*(16)C3 140 0.001324699 - 2.287976002
109 RY*(17)C3 141 0.000017357 - 0.506809417
110 RY*(18)C3 142 0.000078023 - 2.830437595
111 RY*(19)C3 143 0.000881708 - 3.376280187
112 RY*(20)C3 144 0.000439901 - 16.522645588
113 RY*(21)C3 145 0.000992400 - 2.966417376
114 RY*(1)C4 146 0.006781335 - 1.333643282
115 RY*(2)C4 147 0.004236812 - 1.322906081
116 RY*(3)C4 148 0.001000560 - 2.500905111
117 RY*(4)C4 149 0.000723668 - 1.108561539
118 RY*(5)C4 150 0.000739766 - 1.553984341
119 RY*(6)C4 151 0.000982531 - 3.315346419
120 RY*(7)C4 152 0.002457529 - 1.811023944
121 RY*(8)C4 153 0.000283379 - 2.930085641
122 RY*(9)C4 154 0.000219509 - 3.239654796
123 RY*(10)C4 155 0.000507527 - 2.941570333
124 RY*(11)C4 156 0.000778184 - 2.319646278
125 RY*(12)C4 157 0.000273934 - 3.327982622
126 RY*(13)C4 158 0.000315307 - 2.950038150
127 RY*(14)C4 159 0.000131424 - 2.971840886
128 RY*(15)C4 160 0.000585683 - 2.113929372
129 RY*(16)C4 161 0.001537540 - 3.262225096
130 RY*(17)C4 162 0.000214631 - 16.118421363
131 RY*(18)C4 163 0.000051899 - 0.655111297
132 RY*(19)C4 164 0.000241648 - 2.736326977
133 RY*(20)C4 165 0.000008794 - 3.811623530
134 RY*(21)C4 166 0.000456608 - 1.563702466
135 RY*(22)C4 167 0.003199134 - 2.056395314
136 RY*(1)C5 168 0.005472245 - 1.371015510
137 RY*(2)C5 169 0.004384504 - 1.319558527
138 RY*(3)C5 170 0.003807884 - 2.478147859
139 RY*(4)C5 171 0.000727608 - 1.333308755
140 RY*(5)C5 172 0.000926230 - 3.275583783
141 RY*(6)C5 173 0.000568944 - 1.477800695
142 RY*(7)C5 174 0.000607903 - 1.601637519
143 RY*(8)C5 175 0.000192196 - 2.940854758
144 RY*(9)C5 176 0.000288547 - 3.610734216
145 RY*(10)C5 177 0.003544979 - 3.252748861
146 RY*(11)C5 178 0.007284330 - 2.300728897
147 RY*(12)C5 179 0.008568834 - 2.959458783
148 RY*(13)C5 180 0.000100480 - 2.737570874
149 RY*(14)C5 181 0.000198059 - 2.235841469
150 RY*(15)C5 182 0.003903098 - 2.434993868
151 RY*(16)C5 183 0.000045771 - 1.741002351
152 RY*(17)C5 184 0.000304499 - 1.588249984
153 RY*(18)C5 185 0.000018045 - 0.516175372
154 RY*(19)C5 186 0.000090128 - 2.876140713
155 RY*(20)C5 187 0.000013893 - 3.577678825
156 RY*(21)C5 188 0.000081447 - 1.561940030
157 RY*(22)C5 189 0.000741376 - 18.991602172
158 RY*(1)C6 190 0.005610089 - 1.269293170
159 RY*(2)C6 191 0.004419544 - 1.177865379
160 RY*(3)C6 192 0.001557038 - 1.539355702
161 RY*(4)C6 193 0.001638083 - 0.548048660
162 RY*(5)C6 194 0.000330028 - 2.130551154
163 RY*(6)C6 195 0.001612671 - 2.126145464
164 RY*(7)C6 196 0.002504036 - 1.969313234
165 RY*(8)C6 197 0.002074729 - 2.519771567
166 RY*(9)C6 198 0.001104214 - 1.396225841
167 RY*(10)C6 199 0.001928952 - 4.397166096
168 RY*(11)C6 200 0.004205191 - 1.984976505
169 RY*(12)C6 201 0.000032010 - 1.816742809
170 RY*(13)C6 202 0.002853148 - 2.706422022
171 RY*(14)C6 203 0.000725632 - 3.383986398
172 RY*(15)C6 204 0.000088603 - 0.620200006
173 RY*(16)C6 205 0.000003951 - 3.163299411
174 RY*(17)C6 206 0.004438499 - 2.914176090
175 RY*(18)C6 207 0.000084622 - 2.831731391
176 RY*(19)C6 208 0.001024279 - 3.450007065
177 RY*(20)C6 209 0.001471968 - 3.560528666
178 RY*(21)C6 210 0.000087693 - 14.961205826
179 RY*(22)C6 211 0.000819917 - 2.752834842
180 RY*(1)H7 212 0.001195505 - 1.375362004
181 RY*(2)H7 213 0.001201070 - 1.958483143
182 RY*(3)H7 214 0.014787653 - 2.104005998
183 RY*(4)H7 215 0.001266432 - 2.572599154
184 RY*(5)H7 216 0.002792868 - 2.644455163
185 RY*(1)C8 217 0.006200102 - 1.447020388
186 RY*(2)C8 218 0.002743127 - 1.056071083
187 RY*(3)C8 219 0.000856507 - 0.593817811
188 RY*(4)C8 220 0.000587896 - 1.935205431
189 RY*(5)C8 221 0.000730960 - 1.078523852
190 RY*(6)C8 222 0.000316558 - 3.111923204
191 RY*(7)C8 223 0.000400275 - 2.313619692
192 RY*(8)C8 224 0.000223638 - 2.042072301
193 RY*(9)C8 225 0.000158620 - 0.930397313
194 RY*(10)C8 226 0.000229517 - 3.760668747
195 RY*(11)C8 227 0.001075499 - 1.605153679
196 RY*(12)C8 228 0.000152778 - 2.508958663
197 RY*(13)C8 229 0.000412308 - 2.580473028
198 RY*(14)C8 230 0.002002396 - 1.382034826
199 RY*(15)C8 231 0.000028853 - 3.300896091
200 RY*(16)C8 232 0.000022593 - 0.542666092
201 RY*(17)C8 233 0.000050944 - 19.197165638
202 RY*(18)C8 234 0.000018921 - 3.500162286
203 RY*(19)C8 235 0.000008174 - 3.623983021
204 RY*(20)C8 236 0.000002101 - 3.278618842
205 RY*(21)C8 237 0.000278760 - 2.771934456
206 RY*(1)C9 238 0.006660302 - 1.302331984
207 RY*(2)C9 239 0.004112699 - 1.357590189
208 RY*(3)C9 240 0.000968549 - 2.112041022
209 RY*(4)C9 241 0.001458609 - 1.111539133
210 RY*(5)C9 242 0.000741817 - 1.722282495
211 RY*(6)C9 243 0.000499748 - 3.166535471
212 RY*(7)C9 244 0.000408082 - 1.795650601
213 RY*(8)C9 245 0.000278749 - 2.930078418
214 RY*(9)C9 246 0.000260249 - 3.358732791
215 RY*(10)C9 247 0.000164594 - 2.960438371
216 RY*(11)C9 248 0.000120353 - 2.309904433
217 RY*(12)C9 249 0.000149842 - 3.162044631
218 RY*(13)C9 250 0.000135450 - 3.243788029
219 RY*(14)C9 251 0.000105531 - 2.975310778
220 RY*(15)C9 252 0.000321326 - 0.970018509
221 RY*(16)C9 253 0.000037042 - 3.402242446
222 RY*(17)C9 254 0.000002547 - 0.630972252
223 RY*(18)C9 255 0.000920859 - 4.414902145
224 RY*(19)C9 256 0.000168556 - 2.759430238
225 RY*(20)C9 257 0.000055237 - 3.618451432
226 RY*(21)C9 258 0.000001029 - 1.562373952
227 RY*(22)C9 259 0.000264505 - 15.024813457
228 RY*(1)C10 260 0.005785757 - 1.599037827
229 RY*(2)C10 261 0.004778858 - 1.343115475
230 RY*(3)C10 262 0.000835968 - 2.884775789
231 RY*(4)C10 263 0.000771560 - 1.332868837
232 RY*(5)C10 264 0.000709285 - 1.390872366
233 RY*(6)C10 265 0.000588181 - 3.289182132
234 RY*(7)C10 266 0.000438683 - 1.600610610
235 RY*(8)C10 267 0.000302238 - 2.939274708
236 RY*(9)C10 268 0.000547654 - 3.059180368
237 RY*(10)C10 269 0.000122224 - 2.271029702
238 RY*(11)C10 270 0.000195069 - 2.520571795
239 RY*(12)C10 271 0.000110559 - 3.559535976
240 RY*(13)C10 272 0.000257711 - 2.474439554
241 RY*(14)C10 273 0.000384699 - 3.193166460
242 RY*(15)C10 274 0.000068891 - 3.099735867
243 RY*(16)C10 275 0.000103013 - 2.398031104
244 RY*(17)C10 276 0.000045254 - 4.198382875
245 RY*(18)C10 277 0.000006668 - 0.511221892
246 RY*(19)C10 278 0.000003089 - 1.561017024
247 RY*(20)C10 279 0.000024089 - 3.624640770
248 RY*(21)C10 280 0.000000685 - 2.879674509
249 RY*(22)C10 281 0.000030140 - 14.475613917
250 RY*(1)C11 282 0.005736173 - 1.229791441
251 RY*(2)C11 283 0.002844998 - 1.055783372
252 RY*(3)C11 284 0.000881348 - 0.593805613
253 RY*(4)C11 285 0.000852311 - 2.479177515
254 RY*(5)C11 286 0.000563094 - 1.935108793
255 RY*(6)C11 287 0.000318854 - 2.651359622
256 RY*(7)C11 288 0.000343805 - 2.406769561
257 RY*(8)C11 289 0.000249826 - 2.513012327
258 RY*(9)C11 290 0.000129125 - 0.930372426
259 RY*(10)C11 291 0.000805201 - 2.142441125
260 RY*(11)C11 292 0.000149168 - 2.223048535
261 RY*(12)C11 293 0.000072676 - 2.435886590
262 RY*(13)C11 294 0.000023074 - 3.378597975
263 RY*(14)C11 295 0.000570931 - 2.581783276
264 RY*(15)C11 296 0.000147733 - 8.711866720
265 RY*(16)C11 297 0.000414972 - 1.625975157
266 RY*(17)C11 298 0.000012898 - 0.555141664
267 RY*(18)C11 299 0.000003151 - 2.788767200
268 RY*(19)C11 300 0.000033674 - 11.621462444
269 RY*(20)C11 301 0.000034184 - 3.524109974
270 RY*(21)C11 302 0.000012051 - 3.248619086
271 RY*(22)C11 303 0.000069862 - 3.545652436
272 RY*(1)H12 304 0.002135556 - 0.469878572
273 RY*(2)H12 305 0.000203839 - 2.400155638
274 RY*(3)H12 306 0.000235068 - 1.978527393
275 RY*(4)H12 307 0.000113014 - 2.923180072
276 RY*(5)H12 308 0.000078485 - 2.660263679
277 RY*(1)C13 309 0.006372881 - 1.320379389
278 RY*(2)C13 310 0.002295504 - 1.177566992
279 RY*(3)C13 311 0.001025085 - 1.608072726
280 RY*(4)C13 312 0.000896932 - 0.544286444
281 RY*(5)C13 313 0.000569306 - 2.076283134
282 RY*(6)C13 314 0.000433980 - 2.118843239
283 RY*(7)C13 315 0.000253154 - 1.837973110
284 RY*(8)C13 316 0.000186845 - 2.308771967
285 RY*(9)C13 317 0.000086784 - 1.379304543
286 RY*(10)C13 318 0.000074061 - 4.255886703
287 RY*(11)C13 319 0.000088999 - 2.135235332
288 RY*(12)C13 320 0.000019176 - 1.815585681
289 RY*(13)C13 321 0.000039460 - 15.746189505
290 RY*(14)C13 322 0.000120196 - 2.234239477
291 RY*(15)C13 323 0.000023159 - 3.794692508
292 RY*(16)C13 324 0.000152479 - 3.177345162
293 RY*(17)C13 325 0.000015664 - 2.259333221
294 RY*(18)C13 326 0.000000673 - 0.607088700
295 RY*(19)C13 327 0.000002357 - 2.830468940
296 RY*(20)C13 328 0.000044059 - 3.468570525
297 RY*(21)C13 329 0.000016860 - 3.044925295
298 RY*(22)C13 330 0.000028176 - 3.228216468
299 RY*(1)C14 331 0.006159802 - 1.247982127
300 RY*(2)C14 332 0.002110532 - 1.383344483
301 RY*(3)C14 333 0.001255066 - 0.570470394
302 RY*(4)C14 334 0.000676214 - 1.637079770
303 RY*(5)C14 335 0.000491708 - 1.873183843
304 RY*(6)C14 336 0.000288547 - 2.944733791
305 RY*(7)C14 337 0.000212431 - 2.805352793
306 RY*(8)C14 338 0.000121748 - 2.032600635
307 RY*(9)C14 339 0.000043123 - 1.049959718
308 RY*(10)C14 340 0.000048030 - 2.883379495
309 RY*(11)C14 341 0.000037903 - 2.301959408
310 RY*(12)C14 342 0.000024206 - 2.108148638
311 RY*(13)C14 343 0.000034825 - 1.662471468
312 RY*(14)C14 344 0.000011557 - 2.422258632
313 RY*(15)C14 345 0.000000903 - 0.384562578
314 RY*(16)C14 346 0.000000064 - 2.062026382
315 RY*(17)C14 347 0.000000101 - 2.736549458
316 RY*(18)C14 348 0.000012242 - 2.643606311
317 RY*(19)C14 349 0.000000054 - 2.614652676
318 RY*(20)C14 350 0.000014234 - 3.119748853
319 RY*(21)C14 351 0.000025993 - 19.269948263
320 RY*(22)C14 352 0.000021745 - 2.320826374
321 RY*(1)C15 353 0.006699182 - 1.199598245
322 RY*(2)C15 354 0.001895489 - 1.291858194
323 RY*(3)C15 355 0.001265714 - 0.570518955
324 RY*(4)C15 356 0.000605576 - 1.531281344
325 RY*(5)C15 357 0.000511815 - 1.823325745
326 RY*(6)C15 358 0.000287748 - 2.944733427
327 RY*(7)C15 359 0.000153193 - 2.567043157
328 RY*(8)C15 360 0.000117269 - 1.895570223
329 RY*(9)C15 361 0.000059868 - 3.285177214
330 RY*(10)C15 362 0.000053074 - 2.618730617
331 RY*(11)C15 363 0.000042823 - 1.049958274
332 RY*(12)C15 364 0.000015358 - 3.026541870
333 RY*(13)C15 365 0.000014671 - 2.417428329
334 RY*(14)C15 366 0.000011970 - 2.278356148
335 RY*(15)C15 367 0.000033750 - 3.222701038
336 RY*(16)C15 368 0.000000095 - 1.990556959
337 RY*(17)C15 369 0.000008234 - 0.386228734
338 RY*(18)C15 370 0.000068870 - 2.737645780
339 RY*(19)C15 371 0.000004809 - 17.858887766
340 RY*(20)C15 372 0.000006767 - 3.474633449
341 RY*(21)C15 373 0.000000134 - 2.683815033
342 RY*(22)C15 374 0.000053819 - 1.594665777
343 RY*(1)C16 375 0.006286689 - 1.242755606
344 RY*(2)C16 376 0.002335463 - 1.185481775
345 RY*(3)C16 377 0.000845113 - 0.544080486
346 RY*(4)C16 378 0.000810113 - 1.878397464
347 RY*(5)C16 379 0.000437522 - 2.118852670
348 RY*(6)C16 380 0.000349015 - 1.696602220
349 RY*(7)C16 381 0.000205152 - 1.447955853
350 RY*(8)C16 382 0.000196080 - 2.094840717
351 RY*(9)C16 383 0.000132483 - 5.690294380
352 RY*(10)C16 384 0.000077136 - 1.379102364
353 RY*(11)C16 385 0.000161964 - 2.299417097
354 RY*(12)C16 386 0.000018866 - 1.815584576
355 RY*(13)C16 387 0.000027279 - 3.354346693
356 RY*(14)C16 388 0.000082290 - 2.517650442
357 RY*(15)C16 389 0.000000132 - 3.276245138
358 RY*(16)C16 390 0.000033727 - 2.153791893
359 RY*(17)C16 391 0.000003572 - 0.510196146
360 RY*(18)C16 392 0.000000883 - 2.827816857
361 RY*(19)C16 393 0.000049978 - 3.370707026
362 RY*(20)C16 394 0.000002745 - 17.536757029
363 RY*(21)C16 395 0.000098708 - 2.942270126
364 RY*(1)H17 396 0.000758033 - 1.531279766
365 RY*(2)H17 397 0.000209051 - 1.948434317
366 RY*(3)H17 398 0.000144285 - 1.931989964
367 RY*(4)H17 399 0.000067576 - 2.602996511
368 RY*(5)H17 400 0.000038944 - 2.615890060
369 RY*(1)H18 401 0.000543001 - 1.090885083
370 RY*(2)H18 402 0.000208074 - 1.916159170
371 RY*(3)H18 403 0.000157212 - 2.072189104
372 RY*(4)H18 404 0.000339629 - 2.606278662
373 RY*(5)H18 405 0.000047478 - 2.703266595
374 RY*(1)H19 406 0.000548970 - 1.152914973
375 RY*(2)H19 407 0.000211862 - 1.916179451
376 RY*(3)H19 408 0.000341810 - 2.133119865
377 RY*(4)H19 409 0.000046544 - 2.670982702
378 RY*(5)H19 410 0.000046376 - 2.577235019
379 RY*(1)H20 411 0.000697249 - 1.423079204
380 RY*(2)H20 412 0.000207632 - 1.948430747
381 RY*(3)H20 413 0.000169124 - 1.978138638
382 RY*(4)H20 414 0.000070997 - 2.602201215
383 RY*(5)H20 415 0.000034028 - 2.609930271
384 RY*(1)H21 416 0.002112819 - 0.780437348
385 RY*(2)H21 417 0.000267556 - 2.449707904
386 RY*(3)H21 418 0.000238202 - 1.978454282
387 RY*(4)H21 419 0.000081273 - 2.658671736
388 RY*(5)H21 420 0.000178616 - 2.916066309
389 RY*(1)H22 421 0.000980598 - 1.554813237
390 RY*(2)H22 422 0.000240499 - 1.948946604
391 RY*(3)H22 423 0.001270194 - 1.896912665
392 RY*(4)H22 424 0.000264974 - 2.614928609
393 RY*(5)H22 425 0.000094561 - 2.615246332
394 RY*(1)H23 426 0.003220888 - 1.104938056
395 RY*(2)H23 427 0.000928499 - 1.925002936
396 RY*(3)H23 428 0.003281196 - 2.091689286
397 RY*(4)H23 429 0.002545236 - 2.639822667
398 RY*(5)H23 430 0.002798234 - 2.718770067
399 RY*(1)H24 431 0.067754440 - 1.226300877
400 RY*(2)H24 432 0.200391193 - 1.720482110
401 RY*(3)H24 433 0.159083879 - 2.628088640
402 RY*(4)H24 434 0.958460397 - 1.654768023
403 RY*(5)H24 435 0.412654486 - 1.614266934
404 BD*(1)C1-C2 0.017595045 - 0.530988434
405 BD*(1)C1-C6 0.012885051 - 0.609047975
406 BD*(2)C1-C6 0.222461622 - 0.037648392
407 BD*(1)C1-H24 0.013722942 - 0.441857921
408 BD*(1)C2-C3 0.014991909 - 0.601833939
409 BD*(2)C2-C3 0.221791064 - 0.037773692
410 BD*(1)C2-H23 0.013733172 - 0.432797325
411 BD*(1)C3-C4 0.023102509 - 0.515832080
412 BD*(1)C3-H22 0.014624323 - 0.432819151
413 BD*(1)C4-C5 0.035669641 - 0.521476291
414 BD*(1)C4-C11 0.019512213 - 0.571937258
415 BD*(1)C5-C6 0.022548052 - 0.528882524
416 BD*(1)C5-C8 0.019740105 - 0.558796554
417 BD*(2)C5-C8 0.372863535 - 0.035545172
418 BD*(1)C6-H7 0.014556449 - 0.429751132
419 BD*(1)C8-C9 0.021486986 - 0.563837165
420 BD*(1)C8-H21 0.020185268 - 0.447588964
421 BD*(1)C9-C10 0.035716128 - 0.522366069
422 BD*(1)C9-C16 0.023568418 - 0.525849800
423 BD*(1)C10-C11 0.019779414 - 0.575798787
424 BD*(2)C10-C11 0.372685701 - 0.034132885
425 BD*(1)C10-C13 0.034262176 - 0.593048311
426 BD*(1)C11-H12 0.024599441 - 0.472454855
427 BD*(1)C13-C14 0.015711819 - 0.646312775
428 BD*(2)C13-C14 0.229208623 - 0.068775863
429 BD*(1)C13-H20 0.026533081 - 0.536333003
430 BD*(1)C14-C15 0.018069862 - 0.531945267
431 BD*(1)C14-H19 0.080251706 - 0.701728976
432 BD*(1)C15-C16 0.195901761 - 1.331228835
433 BD*(2)C15-C16 0.293326697 - 0.700046838
434 BD*(1)C15-H18 0.177598095 - 1.186903569
435 BD*(1)C16-H17 0.123453494 - 1.319594912
436 - **********
437 - **********
438 - **********

Quote

IBM COMPATIBILITY IS LIKE PREGNANCY. YOU ARE OR OR YOU ARE NOT. -- ADAM OSBORNE