WebMO Job Summary

146448: C10H14 tert-butyl benzene Cs, Natural Bond Orbitals - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Method B3LYP
Stoichiometry C10H14
Symmetry CS
Basis 6-311+G(2d,p)
RB3LYP Energy -389.616394754 Hartree
Dipole Moment 0.4127 Debye
Server class (147433)
CPU time 269.8 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 2.5609739 0.08542489418
b 0.9460471 0.03155673449
c 0.8152176 0.02719273211

Partial Charges

Atom Symbol Charge
1 C 0.483032  
2 C 0.814355  
3 C -0.131604  
4 C -0.263875  
5 C -0.055529  
6 C -0.334514  
7 C -0.574086  
8 H 0.089497  
9 H 0.080876  
10 H 0.080377  
11 H 0.080950  
12 H 0.080161  
13 C -0.455190  
14 H 0.117792  
15 H 0.121059  
16 H 0.115878  
17 C -0.455190  
18 H 0.121059  
19 H 0.117792  
20 H 0.115878  
21 C -0.521163  
22 H 0.123775  
23 H 0.123775  
24 H 0.124895  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -10.19179
2 - 2 - -10.17992
3 - 2 - -10.17212
4 - 2 - -10.17164
5 - 2 - -10.17006
6 - 2 - -10.16993
7 - 2 - -10.16932
8 - 2 - -10.15925
9 - 2 - -10.15909
10 - 2 - -10.15909
11 - 2 - -0.86416
12 - 2 - -0.81837
13 - 2 - -0.74778
14 - 2 - -0.73721
15 - 2 - -0.69002
16 - 2 - -0.68882
17 - 2 - -0.61533
18 - 2 - -0.60296
19 - 2 - -0.55231
20 - 2 - -0.51454
21 - 2 - -0.46289
22 - 2 - -0.46071
23 - 2 - -0.44753
24 - 2 - -0.44399
25 - 2 - -0.42729
26 - 2 - -0.42042
27 - 2 - -0.39963
28 - 2 - -0.38315
29 - 2 - -0.37574
30 - 2 - -0.37025
31 - 2 - -0.36312
32 - 2 - -0.3553
33 - 2 - -0.33603
34 - 2 - -0.32641
35 - 2 - -0.32134
36 - 2 - -0.25518
37 - 2 - -0.24737
38 - 0 - -0.014
39 - 0 - -0.01069
40 - 0 - -0.00172
41 - 0 - 0.0142
42 - 0 - 0.01841
43 - 0 - 0.02967
44 - 0 - 0.03454
45 - 0 - 0.03671
46 - 0 - 0.04184
47 - 0 - 0.05547
48 - 0 - 0.05968
49 - 0 - 0.05974
50 - 0 - 0.06348
51 - 0 - 0.06792
52 - 0 - 0.07762
53 - 0 - 0.09214
54 - 0 - 0.09521
55 - 0 - 0.09669
56 - 0 - 0.10143
57 - 0 - 0.10398
58 - 0 - 0.1171
59 - 0 - 0.12678
60 - 0 - 0.13031
61 - 0 - 0.13176
62 - 0 - 0.13772
63 - 0 - 0.1385
64 - 0 - 0.15253
65 - 0 - 0.16201
66 - 0 - 0.1625
67 - 0 - 0.16351
68 - 0 - 0.17012
69 - 0 - 0.17051
70 - 0 - 0.18139
71 - 0 - 0.18666
72 - 0 - 0.19297
73 - 0 - 0.19417
74 - 0 - 0.19904
75 - 0 - 0.20503
76 - 0 - 0.20608
77 - 0 - 0.21303
78 - 0 - 0.21701
79 - 0 - 0.22
80 - 0 - 0.2229
81 - 0 - 0.22934
82 - 0 - 0.23709
83 - 0 - 0.24069
84 - 0 - 0.24604
85 - 0 - 0.24774
86 - 0 - 0.25051
87 - 0 - 0.2565
88 - 0 - 0.26178
89 - 0 - 0.26811
90 - 0 - 0.26849
91 - 0 - 0.2715
92 - 0 - 0.27861
93 - 0 - 0.30279
94 - 0 - 0.30541
95 - 0 - 0.31529
96 - 0 - 0.31959
97 - 0 - 0.32299
98 - 0 - 0.33331
99 - 0 - 0.341
100 - 0 - 0.35563
101 - 0 - 0.36944
102 - 0 - 0.38167
103 - 0 - 0.41999
104 - 0 - 0.44429
105 - 0 - 0.44462
106 - 0 - 0.46283
107 - 0 - 0.48096
108 - 0 - 0.48424
109 - 0 - 0.49584
110 - 0 - 0.49753
111 - 0 - 0.51259
112 - 0 - 0.51883
113 - 0 - 0.52315
114 - 0 - 0.52342
115 - 0 - 0.53634
116 - 0 - 0.53866
117 - 0 - 0.54375
118 - 0 - 0.54718
119 - 0 - 0.55008
120 - 0 - 0.57464
121 - 0 - 0.58084
122 - 0 - 0.58341
123 - 0 - 0.60309
124 - 0 - 0.61607
125 - 0 - 0.62185
126 - 0 - 0.6308
127 - 0 - 0.63196
128 - 0 - 0.63482
129 - 0 - 0.64058
130 - 0 - 0.64633
131 - 0 - 0.64644
132 - 0 - 0.65224
133 - 0 - 0.65694
134 - 0 - 0.65886
135 - 0 - 0.67804
136 - 0 - 0.6801
137 - 0 - 0.68671
138 - 0 - 0.69876
139 - 0 - 0.71394
140 - 0 - 0.72302
141 - 0 - 0.73084
142 - 0 - 0.75108
143 - 0 - 0.75752
144 - 0 - 0.76447
145 - 0 - 0.77536
146 - 0 - 0.78526
147 - 0 - 0.79192
148 - 0 - 0.79511
149 - 0 - 0.80614
150 - 0 - 0.81857
151 - 0 - 0.82493
152 - 0 - 0.83514
153 - 0 - 0.84014
154 - 0 - 0.84053
155 - 0 - 0.84821
156 - 0 - 0.86059
157 - 0 - 0.87019
158 - 0 - 0.90093
159 - 0 - 0.90162
160 - 0 - 0.92149
161 - 0 - 0.93446
162 - 0 - 0.95495
163 - 0 - 1.00643
164 - 0 - 1.03168
165 - 0 - 1.03366
166 - 0 - 1.05249
167 - 0 - 1.0548
168 - 0 - 1.07761
169 - 0 - 1.09647
170 - 0 - 1.10598
171 - 0 - 1.14118
172 - 0 - 1.14208
173 - 0 - 1.17125
174 - 0 - 1.18586
175 - 0 - 1.19502
176 - 0 - 1.20857
177 - 0 - 1.22388
178 - 0 - 1.23463
179 - 0 - 1.2383
180 - 0 - 1.26
181 - 0 - 1.27703
182 - 0 - 1.29373
183 - 0 - 1.29446
184 - 0 - 1.30892
185 - 0 - 1.31014
186 - 0 - 1.33858
187 - 0 - 1.35031
188 - 0 - 1.35582
189 - 0 - 1.3622
190 - 0 - 1.36349
191 - 0 - 1.39685
192 - 0 - 1.40426
193 - 0 - 1.41189
194 - 0 - 1.44519
195 - 0 - 1.46173
196 - 0 - 1.4851
197 - 0 - 1.48648
198 - 0 - 1.48753
199 - 0 - 1.49971
200 - 0 - 1.52263
201 - 0 - 1.52576
202 - 0 - 1.54486
203 - 0 - 1.56881
204 - 0 - 1.60017
205 - 0 - 1.61948
206 - 0 - 1.65472
207 - 0 - 1.66263
208 - 0 - 1.691
209 - 0 - 1.69286
210 - 0 - 1.76964
211 - 0 - 1.78316
212 - 0 - 1.78942
213 - 0 - 1.80996
214 - 0 - 1.87828
215 - 0 - 1.9092
216 - 0 - 1.92001
217 - 0 - 1.93123
218 - 0 - 1.93669
219 - 0 - 1.95875
220 - 0 - 1.99595
221 - 0 - 2.0008
222 - 0 - 2.01284
223 - 0 - 2.03193
224 - 0 - 2.1045
225 - 0 - 2.14694
226 - 0 - 2.18666
227 - 0 - 2.2132
228 - 0 - 2.22849
229 - 0 - 2.26089
230 - 0 - 2.27675
231 - 0 - 2.28873
232 - 0 - 2.29679
233 - 0 - 2.31545
234 - 0 - 2.34753
235 - 0 - 2.35199
236 - 0 - 2.36485
237 - 0 - 2.37231
238 - 0 - 2.38658
239 - 0 - 2.4174
240 - 0 - 2.42208
241 - 0 - 2.42995
242 - 0 - 2.44697
243 - 0 - 2.46833
244 - 0 - 2.49229
245 - 0 - 2.5538
246 - 0 - 2.61618
247 - 0 - 2.65121
248 - 0 - 2.66225
249 - 0 - 2.66872
250 - 0 - 2.67542
251 - 0 - 2.71042
252 - 0 - 2.73772
253 - 0 - 2.74333
254 - 0 - 2.74555
255 - 0 - 2.76027
256 - 0 - 2.77237
257 - 0 - 2.78752
258 - 0 - 2.82041
259 - 0 - 2.83567
260 - 0 - 2.85188
261 - 0 - 2.85192
262 - 0 - 2.85436
263 - 0 - 2.89091
264 - 0 - 2.91525
265 - 0 - 2.96217
266 - 0 - 2.97272
267 - 0 - 2.98985
268 - 0 - 3.04211
269 - 0 - 3.0533
270 - 0 - 3.07133
271 - 0 - 3.08027
272 - 0 - 3.13299
273 - 0 - 3.15799
274 - 0 - 3.16337
275 - 0 - 3.1932
276 - 0 - 3.21625
277 - 0 - 3.22945
278 - 0 - 3.23827
279 - 0 - 3.24695
280 - 0 - 3.26535
281 - 0 - 3.28744
282 - 0 - 3.29644
283 - 0 - 3.30049
284 - 0 - 3.32192
285 - 0 - 3.32991
286 - 0 - 3.33217
287 - 0 - 3.34479
288 - 0 - 3.38479
289 - 0 - 3.40345
290 - 0 - 3.40883
291 - 0 - 3.43969
292 - 0 - 3.48058
293 - 0 - 3.5102
294 - 0 - 3.51397
295 - 0 - 3.51769
296 - 0 - 3.56561
297 - 0 - 3.56748
298 - 0 - 3.57512
299 - 0 - 3.58464
300 - 0 - 3.5952
301 - 0 - 3.60028
302 - 0 - 3.61584
303 - 0 - 3.62689
304 - 0 - 3.65943
305 - 0 - 3.66071
306 - 0 - 3.66937
307 - 0 - 3.67619
308 - 0 - 3.67958
309 - 0 - 3.69225
310 - 0 - 3.72783
311 - 0 - 3.74343
312 - 0 - 3.75409
313 - 0 - 3.76739
314 - 0 - 3.77887
315 - 0 - 3.81022
316 - 0 - 3.82752
317 - 0 - 3.84749
318 - 0 - 3.86195
319 - 0 - 3.90277
320 - 0 - 3.91009
321 - 0 - 3.94269
322 - 0 - 3.94624
323 - 0 - 3.96362
324 - 0 - 3.9685
325 - 0 - 3.97809
326 - 0 - 4.02239
327 - 0 - 4.09397
328 - 0 - 4.14683
329 - 0 - 4.17971
330 - 0 - 4.22648
331 - 0 - 4.23635
332 - 0 - 4.23904
333 - 0 - 4.2651
334 - 0 - 4.28977
335 - 0 - 4.34828
336 - 0 - 4.43936
337 - 0 - 4.48162
338 - 0 - 4.53628
339 - 0 - 4.56848
340 - 0 - 4.62227
341 - 0 - 4.66343
342 - 0 - 4.84765
343 - 0 - 4.91302
344 - 0 - 5.30677
345 - 0 - 23.68885
346 - 0 - 23.85035
347 - 0 - 24.00962
348 - 0 - 24.01503
349 - 0 - 24.03392
350 - 0 - 24.05714
351 - 0 - 24.08694
352 - 0 - 24.12493
353 - 0 - 24.14553
354 - 0 - 24.19641
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C -0.10434  
2 C -0.01660  
3 C -0.20288  
4 C -0.19680  
5 C -0.21173  
6 C -0.19463  
7 C -0.21020  
8 H 0.20675  
9 H 0.20293  
10 H 0.20415  
11 H 0.20328  
12 H 0.20089  
13 C -0.55767  
14 H 0.19706  
15 H 0.20342  
16 H 0.19883  
17 C -0.55767  
18 H 0.20342  
19 H 0.19706  
20 H 0.19883  
21 C -0.57096  
22 H 0.20199  
23 H 0.20199  
24 H 0.20287  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.999150299 - -10.051733107
2 C1 Val(2S) 0.917941022 - -0.197970758
3 C1 Ryd(3S) 0.001322904 - 0.852309524
4 C1 Ryd(4S) 0.000245203 - 1.228372093
5 C1 Ryd(5S) 0.000004466 - 23.554215208
6 C1 Val(2p) 1.059923225 - -0.095214727
7 C1 Ryd(4p) 0.005274957 - 0.904545624
8 C1 Ryd(3p) 0.000876620 - 0.688713148
9 C1 Ryd(5p) 0.000092581 - 3.152691218
10 C1 Val(2p) 1.049434475 - -0.085853118
11 C1 Ryd(4p) 0.002043556 - 0.739501356
12 C1 Ryd(3p) 0.000937156 - 0.650292081
13 C1 Ryd(5p) 0.000127503 - 3.089724839
14 C1 Val(2p) 1.058587675 - -0.096630668
15 C1 Ryd(4p) 0.002129689 - 0.767615424
16 C1 Ryd(3p) 0.000929800 - 0.614471289
17 C1 Ryd(5p) 0.000036567 - 2.997197264
18 C1 Ryd(3d) 0.000466779 - 2.232755348
19 C1 Ryd(4d) 0.000458824 - 2.880161369
20 C1 Ryd(3d) 0.000478684 - 2.203338254
21 C1 Ryd(4d) 0.000324726 - 2.697336713
22 C1 Ryd(3d) 0.000879971 - 2.215165027
23 C1 Ryd(4d) 0.000169554 - 2.879296066
24 C1 Ryd(3d) 0.001169275 - 2.267896118
25 C1 Ryd(4d) 0.000184723 - 3.081016022
26 C1 Ryd(3d) 0.000966492 - 2.222338239
27 C1 Ryd(4d) 0.000185230 - 2.961954400
28 C2 Cor(1S) 1.998965613 - -10.028384597
29 C2 Val(2S) 0.876174757 - -0.126441013
30 C2 Ryd(4S) 0.001651407 - 1.037587199
31 C2 Ryd(3S) 0.000056454 - 0.667625222
32 C2 Ryd(5S) 0.000008458 - 22.202167482
33 C2 Val(2p) 1.075548353 - -0.051214797
34 C2 Ryd(3p) 0.004862586 - 1.074609902
35 C2 Ryd(4p) 0.000188407 - 1.916045379
36 C2 Ryd(5p) 0.000113924 - 2.460921402
37 C2 Val(2p) 1.060833380 - -0.046507315
38 C2 Ryd(3p) 0.006916560 - 1.207743540
39 C2 Ryd(4p) 0.000175713 - 1.838758192
40 C2 Ryd(5p) 0.000092912 - 2.501488538
41 C2 Val(2p) 0.981972816 - -0.095865351
42 C2 Ryd(3p) 0.003494823 - 0.630503332
43 C2 Ryd(4p) 0.000077987 - 1.555460803
44 C2 Ryd(5p) 0.000071106 - 1.854961274
45 C2 Ryd(3d) 0.000778925 - 2.176688411
46 C2 Ryd(4d) 0.000836025 - 3.715790829
47 C2 Ryd(3d) 0.000159512 - 1.227950447
48 C2 Ryd(4d) 0.000324696 - 3.430298503
49 C2 Ryd(3d) 0.000366031 - 1.269310061
50 C2 Ryd(4d) 0.000216654 - 3.567585423
51 C2 Ryd(3d) 0.000751336 - 2.122983591
52 C2 Ryd(4d) 0.000784019 - 3.708586007
53 C2 Ryd(3d) 0.001138898 - 1.759918398
54 C2 Ryd(4d) 0.000034679 - 3.575280096
55 C3 Cor(1S) 1.999036367 - -10.019521225
56 C3 Val(2S) 0.935262879 - -0.150514581
57 C3 Ryd(4S) 0.001294141 - 1.265328678
58 C3 Ryd(3S) 0.000065603 - 0.793882195
59 C3 Ryd(5S) 0.000014907 - 21.676018006
60 C3 Val(2p) 1.113783330 - -0.045754422
61 C3 Ryd(4p) 0.004742830 - 0.910091974
62 C3 Ryd(3p) 0.000294584 - 0.501555752
63 C3 Ryd(5p) 0.000128262 - 3.507059530
64 C3 Val(2p) 1.131722788 - -0.051903466
65 C3 Ryd(4p) 0.005110257 - 1.148596053
66 C3 Ryd(3p) 0.000200695 - 0.508910875
67 C3 Ryd(5p) 0.000102787 - 3.551607453
68 C3 Val(2p) 1.004961080 - -0.105238837
69 C3 Ryd(4p) 0.000859286 - 0.559205265
70 C3 Ryd(3p) 0.000419033 - 0.410942349
71 C3 Ryd(5p) 0.000019762 - 2.829817744
72 C3 Ryd(3d) 0.000701219 - 2.256367200
73 C3 Ryd(4d) 0.000798306 - 3.715155969
74 C3 Ryd(3d) 0.000324915 - 1.405677202
75 C3 Ryd(4d) 0.000059846 - 3.112952202
76 C3 Ryd(3d) 0.000233949 - 1.358925961
77 C3 Ryd(4d) 0.000124229 - 3.076447177
78 C3 Ryd(3d) 0.000803487 - 2.056555622
79 C3 Ryd(4d) 0.000438459 - 3.629639668
80 C3 Ryd(3d) 0.001324681 - 1.792702421
81 C3 Ryd(4d) 0.000049134 - 3.371151875
82 C4 Cor(1S) 1.999150504 - -10.024367268
83 C4 Val(2S) 0.946839368 - -0.159200783
84 C4 Ryd(3S) 0.001148996 - 1.375763122
85 C4 Ryd(4S) 0.000083933 - 1.500718897
86 C4 Ryd(5S) 0.000004801 - 20.493641667
87 C4 Val(2p) 1.167768412 - -0.050936926
88 C4 Ryd(4p) 0.007004730 - 1.126956084
89 C4 Ryd(3p) 0.000277518 - 0.387519209
90 C4 Ryd(5p) 0.000059646 - 3.407293184
91 C4 Val(2p) 1.066471935 - -0.044149991
92 C4 Ryd(4p) 0.004456133 - 0.812449755
93 C4 Ryd(3p) 0.000381248 - 0.580184276
94 C4 Ryd(5p) 0.000194587 - 3.404826810
95 C4 Val(2p) 0.996301604 - -0.104601920
96 C4 Ryd(4p) 0.001279218 - 0.521916710
97 C4 Ryd(3p) 0.000432971 - 0.324666627
98 C4 Ryd(5p) 0.000015862 - 2.775222153
99 C4 Ryd(3d) 0.000775569 - 2.097033479
100 C4 Ryd(4d) 0.000431067 - 3.544670941
101 C4 Ryd(3d) 0.000287700 - 1.350943888
102 C4 Ryd(4d) 0.000059526 - 2.955052873
103 C4 Ryd(3d) 0.000224927 - 1.461821216
104 C4 Ryd(4d) 0.000125867 - 3.066141683
105 C4 Ryd(3d) 0.000766742 - 2.294424220
106 C4 Ryd(4d) 0.000853503 - 3.616162097
107 C4 Ryd(3d) 0.001316444 - 1.847354082
108 C4 Ryd(4d) 0.000086962 - 3.285088010
109 C5 Cor(1S) 1.999138977 - -10.022667025
110 C5 Val(2S) 0.948760995 - -0.158621213
111 C5 Ryd(3S) 0.001207740 - 1.128885979
112 C5 Ryd(4S) 0.000085838 - 2.099638842
113 C5 Ryd(5S) 0.000004980 - 20.301496327
114 C5 Val(2p) 1.079015595 - -0.046654014
115 C5 Ryd(4p) 0.004872589 - 0.842652827
116 C5 Ryd(3p) 0.000437326 - 0.487671188
117 C5 Ryd(5p) 0.000191603 - 3.426000015
118 C5 Val(2p) 1.156996126 - -0.049661907
119 C5 Ryd(4p) 0.006347317 - 1.089083846
120 C5 Ryd(3p) 0.000349179 - 0.370815168
121 C5 Ryd(5p) 0.000071355 - 3.436268414
122 C5 Val(2p) 1.007471788 - -0.104642172
123 C5 Ryd(4p) 0.001513035 - 0.512006264
124 C5 Ryd(3p) 0.000418793 - 0.319154830
125 C5 Ryd(5p) 0.000018837 - 2.762868847
126 C5 Ryd(3d) 0.000767136 - 2.237548709
127 C5 Ryd(4d) 0.000594763 - 3.494295721
128 C5 Ryd(3d) 0.000192105 - 1.535777753
129 C5 Ryd(4d) 0.000125204 - 2.939780273
130 C5 Ryd(3d) 0.000294327 - 1.460746216
131 C5 Ryd(4d) 0.000060955 - 2.862627127
132 C5 Ryd(3d) 0.000756967 - 2.260595803
133 C5 Ryd(4d) 0.000644196 - 3.502765407
134 C5 Ryd(3d) 0.001292912 - 1.926421280
135 C5 Ryd(4d) 0.000103699 - 3.191391375
136 C6 Cor(1S) 1.999150230 - -10.023995931
137 C6 Val(2S) 0.946696906 - -0.158772273
138 C6 Ryd(3S) 0.001183328 - 1.389160882
139 C6 Ryd(4S) 0.000092585 - 1.728743088
140 C6 Ryd(5S) 0.000006218 - 20.304804547
141 C6 Val(2p) 1.107783797 - -0.047447030
142 C6 Ryd(4p) 0.005517932 - 0.967128828
143 C6 Ryd(3p) 0.000307748 - 0.471822248
144 C6 Ryd(5p) 0.000147421 - 3.424704126
145 C6 Val(2p) 1.124131301 - -0.044943190
146 C6 Ryd(4p) 0.005923494 - 0.991671220
147 C6 Ryd(3p) 0.000355292 - 0.467582686
148 C6 Ryd(5p) 0.000121073 - 3.391462912
149 C6 Val(2p) 0.996582046 - -0.104475432
150 C6 Ryd(4p) 0.001307203 - 0.517208315
151 C6 Ryd(3p) 0.000402737 - 0.328170532
152 C6 Ryd(5p) 0.000013178 - 2.770957155
153 C6 Ryd(3d) 0.000754010 - 2.322768808
154 C6 Ryd(4d) 0.000866889 - 3.622789672
155 C6 Ryd(3d) 0.000222926 - 1.429954693
156 C6 Ryd(4d) 0.000111293 - 2.994651559
157 C6 Ryd(3d) 0.000266887 - 1.414405356
158 C6 Ryd(4d) 0.000086826 - 2.985444158
159 C6 Ryd(3d) 0.000780541 - 2.110743872
160 C6 Ryd(4d) 0.000400544 - 3.530281621
161 C6 Ryd(3d) 0.001323902 - 1.863103109
162 C6 Ryd(4d) 0.000094975 - 3.273829836
163 C7 Cor(1S) 1.999031655 - -10.018691050
164 C7 Val(2S) 0.935828561 - -0.149738679
165 C7 Ryd(4S) 0.001189420 - 1.349797945
166 C7 Ryd(3S) 0.000070461 - 1.297291049
167 C7 Ryd(5S) 0.000011988 - 20.957341682
168 C7 Val(2p) 1.173418480 - -0.048875933
169 C7 Ryd(4p) 0.006358102 - 1.130074301
170 C7 Ryd(3p) 0.000193143 - 0.489763815
171 C7 Ryd(5p) 0.000067704 - 3.528460201
172 C7 Val(2p) 1.076518087 - -0.047109189
173 C7 Ryd(4p) 0.003196894 - 1.043046141
174 C7 Ryd(3p) 0.000344796 - 0.582171467
175 C7 Ryd(5p) 0.000159153 - 3.420745988
176 C7 Val(2p) 1.007496809 - -0.103951971
177 C7 Ryd(4p) 0.001007847 - 0.553896209
178 C7 Ryd(3p) 0.000461147 - 0.387453215
179 C7 Ryd(5p) 0.000028872 - 2.842428778
180 C7 Ryd(3d) 0.000803200 - 2.065397879
181 C7 Ryd(4d) 0.000462923 - 3.586396421
182 C7 Ryd(3d) 0.000367791 - 1.376814338
183 C7 Ryd(4d) 0.000044364 - 2.986562464
184 C7 Ryd(3d) 0.000237317 - 1.476818049
185 C7 Ryd(4d) 0.000127585 - 3.116617578
186 C7 Ryd(3d) 0.000680929 - 2.281159098
187 C7 Ryd(4d) 0.000739300 - 3.673114570
188 C7 Ryd(3d) 0.001292851 - 1.840117217
189 C7 Ryd(4d) 0.000056068 - 3.339783382
190 H8 Val(1S) 0.791844697 - 0.056774307
191 H8 Ryd(2S) 0.000560434 - 1.353934973
192 H8 Ryd(3S) 0.000169191 - 1.767784180
193 H8 Ryd(2p) 0.000398073 - 2.970731327
194 H8 Ryd(2p) 0.000069083 - 2.612543921
195 H8 Ryd(2p) 0.000213239 - 1.969249164
196 H9 Val(1S) 0.795743781 - 0.050825104
197 H9 Ryd(2S) 0.000504648 - 1.125916487
198 H9 Ryd(3S) 0.000150905 - 1.985830819
199 H9 Ryd(2p) 0.000202648 - 2.697648770
200 H9 Ryd(2p) 0.000262219 - 2.774042367
201 H9 Ryd(2p) 0.000203577 - 1.923189432
202 H10 Val(1S) 0.794543723 - 0.051472694
203 H10 Ryd(2S) 0.000472505 - 1.071538858
204 H10 Ryd(3S) 0.000154526 - 1.987349124
205 H10 Ryd(2p) 0.000096418 - 2.598468557
206 H10 Ryd(2p) 0.000368914 - 2.858987222
207 H10 Ryd(2p) 0.000209084 - 1.925123097
208 H11 Val(1S) 0.795384293 - 0.050116869
209 H11 Ryd(2S) 0.000516924 - 1.128662478
210 H11 Ryd(3S) 0.000152992 - 1.987401378
211 H11 Ryd(2p) 0.000409188 - 2.888863440
212 H11 Ryd(2p) 0.000061172 - 2.577348404
213 H11 Ryd(2p) 0.000200351 - 1.923612144
214 H12 Val(1S) 0.797660261 - 0.051292042
215 H12 Ryd(2S) 0.000624832 - 1.418560663
216 H12 Ryd(3S) 0.000152518 - 1.784461248
217 H12 Ryd(2p) 0.000208795 - 2.768192095
218 H12 Ryd(2p) 0.000236192 - 2.802606995
219 H12 Ryd(2p) 0.000228619 - 1.966810954
220 C13 Cor(1S) 1.999294117 - -10.012796687
221 C13 Val(2S) 1.074523406 - -0.236127977
222 C13 Ryd(4S) 0.000593869 - 1.173781719
223 C13 Ryd(3S) 0.000058869 - 0.596943467
224 C13 Ryd(5S) 0.000002294 - 23.345425091
225 C13 Val(2p) 1.190287266 - -0.084495787
226 C13 Ryd(4p) 0.002397875 - 0.615762957
227 C13 Ryd(3p) 0.000085982 - 0.398148469
228 C13 Ryd(5p) 0.000020893 - 3.272627728
229 C13 Val(2p) 1.170244121 - -0.085003331
230 C13 Ryd(4p) 0.002051084 - 0.617146220
231 C13 Ryd(3p) 0.000156342 - 0.390419508
232 C13 Ryd(5p) 0.000019654 - 3.274645204
233 C13 Val(2p) 1.110263834 - -0.083866822
234 C13 Ryd(4p) 0.001914582 - 0.549018362
235 C13 Ryd(3p) 0.000206502 - 0.336007956
236 C13 Ryd(5p) 0.000041941 - 3.236161964
237 C13 Ryd(3d) 0.000730279 - 1.579918320
238 C13 Ryd(4d) 0.000052858 - 3.026230937
239 C13 Ryd(3d) 0.000660879 - 1.609992063
240 C13 Ryd(4d) 0.000101427 - 3.069686030
241 C13 Ryd(3d) 0.001092252 - 1.684007568
242 C13 Ryd(4d) 0.000060684 - 3.191132300
243 C13 Ryd(3d) 0.001503313 - 1.728296519
244 C13 Ryd(4d) 0.000050175 - 3.278234063
245 C13 Ryd(3d) 0.001169017 - 1.733223756
246 C13 Ryd(4d) 0.000082703 - 3.261406278
247 H14 Val(1S) 0.801518962 - 0.041060666
248 H14 Ryd(2S) 0.000743074 - 0.648710419
249 H14 Ryd(3S) 0.000229926 - 2.145355235
250 H14 Ryd(2p) 0.000102363 - 2.125035218
251 H14 Ryd(2p) 0.000225885 - 2.800474474
252 H14 Ryd(2p) 0.000115880 - 2.130407232
253 H15 Val(1S) 0.795416070 - 0.047535826
254 H15 Ryd(2S) 0.000504388 - 0.660318105
255 H15 Ryd(3S) 0.000195076 - 2.194401044
256 H15 Ryd(2p) 0.000119935 - 2.125117231
257 H15 Ryd(2p) 0.000125886 - 2.225697647
258 H15 Ryd(2p) 0.000216557 - 2.708714632
259 H16 Val(1S) 0.799869265 - 0.044738075
260 H16 Ryd(2S) 0.000610783 - 0.623957179
261 H16 Ryd(3S) 0.000194196 - 2.225099978
262 H16 Ryd(2p) 0.000234813 - 2.870597015
263 H16 Ryd(2p) 0.000127705 - 2.063199739
264 H16 Ryd(2p) 0.000134752 - 2.133395349
265 C17 Cor(1S) 1.999294117 - -10.012796687
266 C17 Val(2S) 1.074523406 - -0.236127977
267 C17 Ryd(4S) 0.000593869 - 1.173781719
268 C17 Ryd(3S) 0.000058869 - 0.596943463
269 C17 Ryd(5S) 0.000002294 - 23.345425095
270 C17 Val(2p) 1.190287266 - -0.084495787
271 C17 Ryd(4p) 0.002397875 - 0.615762957
272 C17 Ryd(3p) 0.000085982 - 0.398148469
273 C17 Ryd(5p) 0.000020893 - 3.272627728
274 C17 Val(2p) 1.170244121 - -0.085003331
275 C17 Ryd(4p) 0.002051084 - 0.617146220
276 C17 Ryd(3p) 0.000156342 - 0.390419508
277 C17 Ryd(5p) 0.000019654 - 3.274645204
278 C17 Val(2p) 1.110263834 - -0.083866822
279 C17 Ryd(4p) 0.001914582 - 0.549018362
280 C17 Ryd(3p) 0.000206502 - 0.336007956
281 C17 Ryd(5p) 0.000041941 - 3.236161964
282 C17 Ryd(3d) 0.000730279 - 1.579918320
283 C17 Ryd(4d) 0.000052858 - 3.026230937
284 C17 Ryd(3d) 0.000660879 - 1.609992063
285 C17 Ryd(4d) 0.000101427 - 3.069686030
286 C17 Ryd(3d) 0.001092252 - 1.684007568
287 C17 Ryd(4d) 0.000060684 - 3.191132300
288 C17 Ryd(3d) 0.001503313 - 1.728296519
289 C17 Ryd(4d) 0.000050175 - 3.278234063
290 C17 Ryd(3d) 0.001169017 - 1.733223756
291 C17 Ryd(4d) 0.000082703 - 3.261406278
292 H18 Val(1S) 0.795416070 - 0.047535826
293 H18 Ryd(2S) 0.000504388 - 0.660318104
294 H18 Ryd(3S) 0.000195076 - 2.194401045
295 H18 Ryd(2p) 0.000119935 - 2.125117231
296 H18 Ryd(2p) 0.000125886 - 2.225697647
297 H18 Ryd(2p) 0.000216557 - 2.708714632
298 H19 Val(1S) 0.801518962 - 0.041060666
299 H19 Ryd(2S) 0.000743074 - 0.648710419
300 H19 Ryd(3S) 0.000229926 - 2.145355235
301 H19 Ryd(2p) 0.000102363 - 2.125035218
302 H19 Ryd(2p) 0.000225885 - 2.800474474
303 H19 Ryd(2p) 0.000115880 - 2.130407232
304 H20 Val(1S) 0.799869265 - 0.044738075
305 H20 Ryd(2S) 0.000610783 - 0.623957179
306 H20 Ryd(3S) 0.000194196 - 2.225099978
307 H20 Ryd(2p) 0.000234813 - 2.870597015
308 H20 Ryd(2p) 0.000127705 - 2.063199739
309 H20 Ryd(2p) 0.000134752 - 2.133395349
310 C21 Cor(1S) 1.999303942 - -10.012005387
311 C21 Val(2S) 1.070214067 - -0.234469311
312 C21 Ryd(4S) 0.000457237 - 1.259160119
313 C21 Ryd(3S) 0.000055336 - 0.611120461
314 C21 Ryd(5S) 0.000002440 - 23.299198413
315 C21 Val(2p) 1.068106466 - -0.083683537
316 C21 Ryd(4p) 0.001563953 - 0.505706556
317 C21 Ryd(3p) 0.000289798 - 0.337369402
318 C21 Ryd(5p) 0.000070213 - 3.272920331
319 C21 Val(2p) 1.212069675 - -0.088288914
320 C21 Ryd(4p) 0.002944552 - 0.708901914
321 C21 Ryd(3p) 0.000086984 - 0.415723360
322 C21 Ryd(5p) 0.000021080 - 3.326488324
323 C21 Val(2p) 1.207427910 - -0.086381986
324 C21 Ryd(4p) 0.002687053 - 0.607533660
325 C21 Ryd(3p) 0.000059865 - 0.402528448
326 C21 Ryd(5p) 0.000011612 - 3.277490014
327 C21 Ryd(3d) 0.000427781 - 1.606801992
328 C21 Ryd(4d) 0.000136758 - 3.117504133
329 C21 Ryd(3d) 0.000668688 - 1.623688270
330 C21 Ryd(4d) 0.000118408 - 3.143819751
331 C21 Ryd(3d) 0.001132001 - 1.591900803
332 C21 Ryd(4d) 0.000026923 - 3.096534180
333 C21 Ryd(3d) 0.001518415 - 1.728934706
334 C21 Ryd(4d) 0.000017394 - 3.325601636
335 C21 Ryd(3d) 0.001493168 - 1.663603755
336 C21 Ryd(4d) 0.000050344 - 3.214489900
337 H22 Val(1S) 0.796666092 - 0.043667732
338 H22 Ryd(2S) 0.000682086 - 0.623411306
339 H22 Ryd(3S) 0.000196889 - 2.256519468
340 H22 Ryd(2p) 0.000165725 - 2.341941786
341 H22 Ryd(2p) 0.000126665 - 2.175314433
342 H22 Ryd(2p) 0.000172646 - 2.584580729
343 H23 Val(1S) 0.796666092 - 0.043667732
344 H23 Ryd(2S) 0.000682086 - 0.623411306
345 H23 Ryd(3S) 0.000196889 - 2.256519468
346 H23 Ryd(2p) 0.000165725 - 2.341941786
347 H23 Ryd(2p) 0.000126665 - 2.175314433
348 H23 Ryd(2p) 0.000172646 - 2.584580729
349 H24 Val(1S) 0.795810873 - 0.044757537
350 H24 Ryd(2S) 0.000646958 - 0.649851418
351 H24 Ryd(3S) 0.000245543 - 2.183027556
352 H24 Ryd(2p) 0.000137396 - 2.306807168
353 H24 Ryd(2p) 0.000188217 - 2.778581724
354 H24 Ryd(2p) 0.000105837 - 2.001926701

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(C2) 1s(25.90%)p2.86(74.00%)d0.00(0.10%) 1.004009937 - -0.098212095
2 BD(1)C2(C1) 2s(32.17%)p2.11(67.80%)d0.00(0.03%) 1.000906562 - -0.092889564
3 BD(1)C1(C13) 1s(24.43%)p3.09(75.51%)d0.00(0.06%) 1.028479309 - -0.122151558
4 BD(1)C13(C1) 13s(30.07%)p2.32(69.83%)d0.00(0.10%) 0.964791188 - -0.098307738
5 BD(1)C1(C17) 1s(24.43%)p3.09(75.51%)d0.00(0.06%) 1.028479309 - -0.122151558
6 BD(1)C17(C1) 17s(30.07%)p2.32(69.83%)d0.00(0.10%) 0.964791188 - -0.098307738
7 BD(1)C1(C21) 1s(25.24%)p2.96(74.71%)d0.00(0.05%) 1.027759435 - -0.121413186
8 BD(1)C21(C1) 21s(30.34%)p2.29(69.56%)d0.00(0.10%) 0.969391242 - -0.096222412
9 BD(1)C2(C3) 2s(33.44%)p1.99(66.48%)d0.00(0.08%) 1.006323247 - -0.061178382
10 BD(1)C3(C2) 3s(36.17%)p1.76(63.72%)d0.00(0.11%) 0.989368371 - -0.052246858
11 BD(1)C2(C7) 2s(34.31%)p1.91(65.61%)d0.00(0.07%) 1.008197284 - -0.062359222
12 BD(1)C7(C2) 7s(36.18%)p1.76(63.71%)d0.00(0.11%) 0.988579582 - -0.050065860
13 BD(2)C2(C7) 2s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.982156009 - -0.095066733
14 BD(2)C7(C2) 7s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.007958725 - -0.103869336
15 BD(1)C3(C4) 3s(35.97%)p1.78(63.93%)d0.00(0.10%) 1.001999145 - -0.058548230
16 BD(1)C4(C3) 4s(36.03%)p1.77(63.86%)d0.00(0.11%) 0.991649064 - -0.052272317
17 BD(2)C3(C4) 3s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.005394055 - -0.105129570
18 BD(2)C4(C3) 4s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.997116091 - -0.105186678
19 BD(1)C3(H12) 3s(27.71%)p2.61(72.25%)d0.00(0.05%) 1.194828692 - -0.121791737
20 BD(1)H12(C3) 12s(99.96%)p0.00(0.04%) 0.797986437 - 0.053639937
21 BD(1)C4(C5) 4s(35.73%)p1.80(64.16%)d0.00(0.11%) 0.998946715 - -0.058602910
22 BD(1)C5(C4) 5s(35.57%)p1.81(64.32%)d0.00(0.11%) 0.996175840 - -0.055725333
23 BD(1)C4(H11) 4s(28.10%)p2.56(71.86%)d0.00(0.04%) 1.197676030 - -0.125523299
24 BD(1)H11(C4) 11s(99.96%)p0.00(0.04%) 0.795744931 - 0.052206629
25 BD(1)C5(C6) 5s(35.77%)p1.79(64.12%)d0.00(0.11%) 0.997013550 - -0.054518963
26 BD(1)C6(C5) 6s(35.91%)p1.78(63.98%)d0.00(0.11%) 0.998192067 - -0.056580957
27 BD(2)C5(C6) 5s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.008510655 - -0.105726781
28 BD(2)C6(C5) 6s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.997429241 - -0.105221279
29 BD(1)C5(H10) 5s(28.53%)p2.50(71.42%)d0.00(0.04%) 1.198944299 - -0.125731124
30 BD(1)H10(C5) 10s(99.96%)p0.00(0.04%) 0.794906928 - 0.053554135
31 BD(1)C6(C7) 6s(35.84%)p1.79(64.04%)d0.00(0.11%) 0.990426317 - -0.051920351
32 BD(1)C7(C6) 7s(35.68%)p1.80(64.23%)d0.00(0.10%) 1.003115832 - -0.058700904
33 BD(1)C6(H9) 6s(28.11%)p2.56(71.85%)d0.00(0.04%) 1.197172450 - -0.124459968
34 BD(1)H9(C6) 9s(99.96%)p0.00(0.04%) 0.796099250 - 0.052890701
35 BD(1)C7(H8) 7s(27.99%)p2.57(71.96%)d0.00(0.05%) 1.199620514 - -0.120761709
36 BD(1)H8(C7) 8s(99.96%)p0.00(0.04%) 0.792188753 - 0.059182548
37 BD(1)C13(H14) 13s(23.04%)p3.34(76.86%)d0.00(0.10%) 1.193029347 - -0.126250167
38 BD(1)H14(C13) 14s(99.98%)p0.00(0.02%) 0.801700366 - 0.042615742
39 BD(1)C13(H15) 13s(23.33%)p3.28(76.57%)d0.00(0.10%) 1.199174833 - -0.126384982
40 BD(1)H15(C13) 15s(99.98%)p0.00(0.02%) 0.795586703 - 0.048793894
41 BD(1)C13(H16) 13s(23.49%)p3.25(76.41%)d0.00(0.10%) 1.194398844 - -0.126199209
42 BD(1)H16(C13) 16s(99.98%)p0.00(0.02%) 0.800062588 - 0.046091991
43 BD(1)C17(H18) 17s(23.33%)p3.28(76.57%)d0.00(0.10%) 1.199174833 - -0.126384982
44 BD(1)H18(C17) 18s(99.98%)p0.00(0.02%) 0.795586703 - 0.048793894
45 BD(1)C17(H19) 17s(23.04%)p3.34(76.86%)d0.00(0.10%) 1.193029347 - -0.126250167
46 BD(1)H19(C17) 19s(99.98%)p0.00(0.02%) 0.801700366 - 0.042615742
47 BD(1)C17(H20) 17s(23.49%)p3.25(76.41%)d0.00(0.10%) 1.194398844 - -0.126199209
48 BD(1)H20(C17) 20s(99.98%)p0.00(0.02%) 0.800062588 - 0.046091991
49 BD(1)C21(H22) 21s(23.30%)p3.29(76.60%)d0.00(0.10%) 1.198318896 - -0.129123350
50 BD(1)H22(C21) 22s(99.98%)p0.00(0.02%) 0.796839807 - 0.044982169
51 BD(1)C21(H23) 21s(23.30%)p3.29(76.60%)d0.00(0.10%) 1.198318896 - -0.129123350
52 BD(1)H23(C21) 23s(99.98%)p0.00(0.02%) 0.796839807 - 0.044982169
53 BD(1)C21(H24) 21s(22.99%)p3.34(76.90%)d0.00(0.10%) 1.198140839 - -0.126060365
54 BD(1)H24(C21) 24s(99.98%)p0.00(0.02%) 0.795974385 - 0.046136265
55 CR(1)C1 s(100.00%)p0.00(0.00%) 1.999150461 - -10.051425152
56 CR(1)C2 s(100.00%) 1.998964995 - -10.028363280
57 CR(1)C3 s(100.00%)p0.00(0.00%) 1.999039337 - -10.019776166
58 CR(1)C4 s(100.00%)p0.00(0.00%) 1.999153288 - -10.024619752
59 CR(1)C5 s(100.00%)p0.00(0.00%) 1.999141934 - -10.022940862
60 CR(1)C6 s(100.00%)p0.00(0.00%) 1.999152966 - -10.024256685
61 CR(1)C7 s(100.00%)p0.00(0.00%) 1.999034461 - -10.018967328
62 CR(1)C13 s(100.00%)p0.00(0.00%) 1.999291314 - -10.012553390
63 CR(1)C17 s(100.00%)p0.00(0.00%) 1.999291314 - -10.012553390
64 CR(1)C21 s(100.00%)p0.00(0.00%) 1.999302119 - -10.011815950
65 RY*(1)C1 s(0.17%)p99.99(97.30%)d14.76(2.52%) 0.006005624 - 0.985432698
66 RY*(2)C1 s(0.00%)p1.00(88.50%)d0.13(11.50%) 0.002326074 - 1.000913567
67 RY*(3)C1 s(8.52%)p9.18(78.25%)d1.55(13.23%) 0.001777773 - 0.978148925
68 RY*(4)C1 s(45.82%)p0.67(30.70%)d0.51(23.48%) 0.001403925 - 1.186130943
69 RY*(5)C1 s(0.00%)p1.00(79.47%)d0.26(20.53%) 0.001232190 - 1.064964482
70 RY*(6)C1 s(35.48%)p1.23(43.55%)d0.59(20.97%) 0.001112998 - 1.170544988
71 RY*(7)C1 s(0.41%)p99.99(96.51%)d7.61(3.09%) 0.000803421 - 0.590245657
72 RY*(8)C1 s(0.00%)p1.00(1.90%)d51.66(98.10%) 0.000468043 - 3.483194101
73 RY*(9)C1 s(0.48%)p47.70(23.06%)d99.99(76.45%) 0.000450414 - 2.773003964
74 RY*(10)C1 s(85.74%)p0.11(9.82%)d0.05(4.44%) 0.000254184 - 1.501698115
75 RY*(11)C1 s(6.23%)p2.68(16.66%)d12.38(77.11%) 0.000160575 - 1.577334890
76 RY*(12)C1 s(0.39%)p97.74(37.75%)d99.99(61.87%) 0.000134721 - 2.746766973
77 RY*(13)C1 s(0.00%)p1.00(19.89%)d4.03(80.11%) 0.000095644 - 1.490222068
78 RY*(14)C1 s(2.10%)p9.16(19.28%)d37.36(78.61%) 0.000081794 - 2.517775012
79 RY*(15)C1 s(0.00%)p1.00(14.42%)d5.94(85.58%) 0.000044035 - 1.609523606
80 RY*(16)C1 s(16.02%)p2.17(34.83%)d3.07(49.15%) 0.000052657 - 3.573344848
81 RY*(17)C1 s(0.00%)p1.00(1.20%)d82.01(98.80%) 0.000014887 - 3.140899191
82 RY*(18)C1 s(0.16%)p93.33(14.67%)d99.99(85.18%) 0.000010275 - 2.452299083
83 RY*(19)C1 s(3.25%)p19.44(63.21%)d10.32(33.54%) 0.000019890 - 3.183170746
84 RY*(20)C1 s(0.43%)p75.84(32.67%)d99.99(66.90%) 0.000005868 - 2.886080862
85 RY*(21)C1 s(0.00%)p1.00(94.70%)d0.06(5.30%) 0.000008048 - 2.580215943
86 RY*(22)C1 s(94.79%)p0.02(1.93%)d0.03(3.28%) 0.000000466 - 22.376947134
87 RY*(1)C2 s(1.40%)p65.44(91.88%)d4.78(6.71%) 0.007131341 - 1.297345438
88 RY*(2)C2 s(0.65%)p99.99(95.83%)d5.43(3.52%) 0.004557978 - 1.197474688
89 RY*(3)C2 s(0.00%)p1.00(95.35%)d0.05(4.65%) 0.003678893 - 0.744050854
90 RY*(4)C2 s(82.52%)p0.10(8.20%)d0.11(9.28%) 0.001532916 - 1.017725021
91 RY*(5)C2 s(0.49%)p38.75(18.87%)d99.99(80.64%) 0.000867445 - 3.087921122
92 RY*(6)C2 s(5.99%)p1.04(6.23%)d14.65(87.78%) 0.000692670 - 2.488565989
93 RY*(7)C2 s(0.00%)p1.00(1.07%)d92.65(98.93%) 0.000471762 - 3.176252825
94 RY*(8)C2 s(3.29%)p2.81(9.22%)d26.63(87.50%) 0.000256152 - 2.358378098
95 RY*(9)C2 s(0.00%)p1.00(7.32%)d12.67(92.68%) 0.000221708 - 1.240900288
96 RY*(10)C2 s(4.05%)p10.36(41.89%)d13.36(54.06%) 0.000179812 - 2.427628560
97 RY*(11)C2 s(34.15%)p1.40(47.77%)d0.53(18.07%) 0.000118349 - 1.729918388
98 RY*(12)C2 s(0.00%)p1.00(44.23%)d1.26(55.77%) 0.000109338 - 1.058579094
99 RY*(13)C2 s(3.32%)p6.40(21.27%)d22.69(75.41%) 0.000072748 - 3.072026126
100 RY*(14)C2 s(0.51%)p99.99(97.18%)d4.53(2.31%) 0.000043224 - 0.999831271
101 RY*(15)C2 s(2.45%)p16.43(40.20%)d23.44(57.36%) 0.000043538 - 3.622433125
102 RY*(16)C2 s(0.00%)p1.00(19.34%)d4.17(80.66%) 0.000037901 - 3.137863805
103 RY*(17)C2 s(6.56%)p10.43(68.39%)d3.82(25.05%) 0.000017997 - 3.445479066
104 RY*(18)C2 s(55.20%)p0.77(42.55%)d0.04(2.26%) 0.000001829 - 0.848935799
105 RY*(19)C2 s(0.00%)p1.00(81.97%)d0.22(18.03%) 0.000002513 - 3.087450055
106 RY*(20)C2 s(0.00%)p1.00(50.76%)d0.97(49.24%) 0.000005502 - 1.090174304
107 RY*(21)C2 s(96.07%)p0.02(2.22%)d0.02(1.71%) 0.000002295 - 21.007198517
108 RY*(22)C2 s(3.44%)p2.44(8.39%)d25.60(88.16%) 0.000002022 - 3.357575704
109 RY*(1)C3 s(0.51%)p99.99(91.47%)d15.61(8.01%) 0.006360635 - 1.328742006
110 RY*(2)C3 s(0.62%)p99.99(95.10%)d6.96(4.28%) 0.002088351 - 1.221753009
111 RY*(3)C3 s(0.00%)p1.00(76.63%)d0.31(23.37%) 0.001041341 - 0.684923232
112 RY*(4)C3 s(55.04%)p0.14(7.47%)d0.68(37.48%) 0.000920802 - 1.686300628
113 RY*(5)C3 s(8.61%)p4.69(40.35%)d5.93(51.05%) 0.000551808 - 1.973307544
114 RY*(6)C3 s(0.00%)p1.00(35.93%)d1.78(64.07%) 0.000464169 - 2.046786904
115 RY*(7)C3 s(21.44%)p0.50(10.69%)d3.16(67.86%) 0.000324711 - 1.684208065
116 RY*(8)C3 s(25.11%)p2.05(51.36%)d0.94(23.54%) 0.000138126 - 2.522369151
117 RY*(9)C3 s(0.27%)p98.87(26.32%)d99.99(73.41%) 0.000081157 - 2.257998432
118 RY*(10)C3 s(21.03%)p2.33(49.05%)d1.42(29.92%) 0.000065520 - 2.117576545
119 RY*(11)C3 s(0.00%)p1.00(47.01%)d1.13(52.99%) 0.000068517 - 0.897534923
120 RY*(12)C3 s(6.56%)p4.30(28.21%)d9.94(65.23%) 0.000037604 - 3.917330686
121 RY*(13)C3 s(0.00%)p1.00(31.38%)d2.19(68.62%) 0.000026373 - 1.031931736
122 RY*(14)C3 s(5.79%)p13.50(78.16%)d2.77(16.05%) 0.000016216 - 2.965270290
123 RY*(15)C3 s(50.36%)p0.84(42.54%)d0.14(7.10%) 0.000024802 - 1.302240650
124 RY*(16)C3 s(7.60%)p1.32(10.00%)d10.85(82.40%) 0.000018774 - 2.839111659
125 RY*(17)C3 s(0.00%)p1.00(96.91%)d0.03(3.09%) 0.000001282 - 2.883947786
126 RY*(18)C3 s(0.00%)p1.00(4.47%)d21.39(95.53%) 0.000002762 - 2.938874037
127 RY*(19)C3 s(85.83%)p0.12(10.31%)d0.05(3.86%) 0.000002303 - 18.734143802
128 RY*(20)C3 s(6.24%)p8.86(55.28%)d6.16(38.48%) 0.000006665 - 2.739605397
129 RY*(21)C3 s(0.00%)p1.00(7.71%)d11.98(92.29%) 0.000003602 - 2.269860014
130 RY*(22)C3 s(5.14%)p0.74(3.79%)d17.72(91.07%) 0.000001697 - 3.379334710
131 RY*(1)C4 s(0.29%)p99.99(89.08%)d36.70(10.64%) 0.006618108 - 1.252843139
132 RY*(2)C4 s(0.50%)p99.99(99.39%)d0.22(0.11%) 0.002158807 - 1.313199400
133 RY*(3)C4 s(0.00%)p1.00(82.44%)d0.21(17.56%) 0.001176478 - 0.461188156
134 RY*(4)C4 s(55.86%)p0.09(5.12%)d0.70(39.02%) 0.000866953 - 1.777535606
135 RY*(5)C4 s(2.57%)p13.82(35.52%)d24.10(61.92%) 0.000542403 - 1.769976387
136 RY*(6)C4 s(0.00%)p1.00(5.78%)d16.31(94.22%) 0.000398981 - 2.739652323
137 RY*(7)C4 s(1.67%)p9.97(16.69%)d48.74(81.63%) 0.000137216 - 2.297855698
138 RY*(8)C4 s(30.42%)p0.83(25.27%)d1.46(44.31%) 0.000115987 - 2.427509623
139 RY*(9)C4 s(59.33%)p0.15(9.10%)d0.53(31.57%) 0.000076090 - 1.819275665
140 RY*(10)C4 s(2.17%)p37.48(81.31%)d7.62(16.52%) 0.000051270 - 2.623203447
141 RY*(11)C4 s(13.25%)p2.87(38.04%)d3.68(48.71%) 0.000034002 - 1.807874909
142 RY*(12)C4 s(0.00%)p1.00(96.46%)d0.04(3.54%) 0.000015686 - 0.557019999
143 RY*(13)C4 s(30.23%)p0.38(11.37%)d1.93(58.40%) 0.000013598 - 3.752443104
144 RY*(14)C4 s(6.98%)p8.04(56.14%)d5.28(36.88%) 0.000015540 - 3.423166609
145 RY*(15)C4 s(0.00%)p1.00(14.15%)d6.07(85.85%) 0.000007192 - 1.288264980
146 RY*(16)C4 s(0.00%)p1.00(2.44%)d40.05(97.56%) 0.000002509 - 2.970449527
147 RY*(17)C4 s(3.57%)p13.36(47.64%)d13.68(48.80%) 0.000011800 - 2.795016002
148 RY*(18)C4 s(0.00%)p1.00(0.32%)d99.99(99.68%) 0.000006208 - 1.650118150
149 RY*(19)C4 s(0.00%)p1.00(98.44%)d0.02(1.56%) 0.000004531 - 2.789656773
150 RY*(20)C4 s(81.77%)p0.08(6.91%)d0.14(11.32%) 0.000000777 - 17.647078929
151 RY*(21)C4 s(9.66%)p7.42(71.70%)d1.93(18.64%) 0.000001309 - 1.811299923
152 RY*(22)C4 s(1.87%)p3.66(6.85%)d48.83(91.28%) 0.000003143 - 3.238170699
153 RY*(1)C5 s(1.10%)p81.12(89.16%)d8.86(9.74%) 0.006277841 - 1.295291599
154 RY*(2)C5 s(0.05%)p99.99(99.64%)d5.84(0.30%) 0.002167145 - 1.343048569
155 RY*(3)C5 s(0.00%)p1.00(83.97%)d0.19(16.03%) 0.001214732 - 0.408656452
156 RY*(4)C5 s(51.72%)p0.04(2.28%)d0.89(46.00%) 0.000873229 - 1.718869967
157 RY*(5)C5 s(0.08%)p99.99(54.21%)d99.99(45.72%) 0.000613877 - 1.515352224
158 RY*(6)C5 s(0.00%)p1.00(0.11%)d99.99(99.89%) 0.000361508 - 3.081615943
159 RY*(7)C5 s(47.80%)p0.34(16.30%)d0.75(35.89%) 0.000153612 - 2.211458916
160 RY*(8)C5 s(29.03%)p0.17(4.96%)d2.27(66.01%) 0.000118495 - 2.154573739
161 RY*(9)C5 s(0.65%)p99.99(68.85%)d47.08(30.50%) 0.000056048 - 2.773814786
162 RY*(10)C5 s(28.05%)p2.01(56.35%)d0.56(15.61%) 0.000045023 - 1.328496380
163 RY*(11)C5 s(1.00%)p25.81(25.73%)d73.50(73.28%) 0.000024004 - 2.581488232
164 RY*(12)C5 s(7.46%)p2.49(18.59%)d9.91(73.95%) 0.000012932 - 2.152264757
165 RY*(13)C5 s(91.56%)p0.09(7.91%)d0.01(0.53%) 0.000001178 - 19.313670602
166 RY*(14)C5 s(29.88%)p0.53(15.82%)d1.82(54.30%) 0.000008166 - 2.860915270
167 RY*(15)C5 s(6.20%)p14.66(90.91%)d0.47(2.89%) 0.000004724 - 3.076047522
168 RY*(16)C5 s(0.00%)p1.00(1.89%)d52.00(98.11%) 0.000000606 - 1.385549619
169 RY*(17)C5 s(0.00%)p1.00(12.51%)d6.99(87.49%) 0.000001191 - 1.483713210
170 RY*(18)C5 s(0.00%)p1.00(1.76%)d55.83(98.24%) 0.000000649 - 2.799406282
171 RY*(19)C5 s(3.35%)p14.02(46.92%)d14.86(49.73%) 0.000002121 - 2.072114741
172 RY*(20)C5 s(0.00%)p1.00(99.95%)d0.00(0.05%) 0.000005226 - 0.436486215
173 RY*(21)C5 s(0.00%)p1.00(99.84%)d0.00(0.16%) 0.000000477 - 2.798618197
174 RY*(22)C5 s(2.21%)p1.13(2.51%)d43.04(95.28%) 0.000005276 - 3.379435721
175 RY*(1)C6 s(0.35%)p99.99(89.20%)d30.10(10.45%) 0.006620702 - 1.252790048
176 RY*(2)C6 s(0.22%)p99.99(99.64%)d0.60(0.13%) 0.002146191 - 1.340042229
177 RY*(3)C6 s(0.00%)p1.00(84.26%)d0.19(15.74%) 0.001137597 - 0.421107193
178 RY*(4)C6 s(58.80%)p0.07(4.20%)d0.63(37.00%) 0.000912295 - 1.758005384
179 RY*(5)C6 s(1.06%)p38.18(40.33%)d55.49(58.61%) 0.000556930 - 1.718133174
180 RY*(6)C6 s(0.00%)p1.00(1.65%)d59.50(98.35%) 0.000397315 - 2.943291112
181 RY*(7)C6 s(16.92%)p0.41(6.87%)d4.50(76.21%) 0.000135555 - 1.746253690
182 RY*(8)C6 s(42.59%)p0.39(16.58%)d0.96(40.82%) 0.000122946 - 3.486479821
183 RY*(9)C6 s(4.92%)p18.00(88.67%)d1.30(6.40%) 0.000057930 - 2.525988520
184 RY*(10)C6 s(36.16%)p0.98(35.26%)d0.79(28.59%) 0.000062864 - 1.164354836
185 RY*(11)C6 s(9.59%)p2.40(22.99%)d7.03(67.42%) 0.000037129 - 2.349393139
186 RY*(12)C6 s(0.45%)p99.99(53.88%)d99.99(45.68%) 0.000015103 - 2.286149964
187 RY*(13)C6 s(4.34%)p8.27(35.92%)d13.76(59.74%) 0.000012402 - 2.157569903
188 RY*(14)C6 s(26.79%)p0.32(8.56%)d2.41(64.65%) 0.000007670 - 2.987539001
189 RY*(15)C6 s(2.14%)p40.86(87.55%)d4.81(10.31%) 0.000003222 - 2.092208015
190 RY*(16)C6 s(0.00%)p1.00(4.68%)d20.38(95.32%) 0.000002952 - 1.498643326
191 RY*(17)C6 s(0.00%)p1.00(10.05%)d8.95(89.95%) 0.000011836 - 1.672513260
192 RY*(18)C6 s(0.00%)p1.00(0.97%)d99.99(99.03%) 0.000006783 - 2.620531721
193 RY*(19)C6 s(0.00%)p1.00(99.51%)d0.00(0.49%) 0.000002003 - 2.803080345
194 RY*(20)C6 s(94.55%)p0.05(4.69%)d0.01(0.76%) 0.000002005 - 19.569438202
195 RY*(21)C6 s(0.00%)p1.00(98.90%)d0.01(1.10%) 0.000005369 - 0.482370657
196 RY*(22)C6 s(1.24%)p4.68(5.79%)d75.06(92.97%) 0.000001442 - 3.408311066
197 RY*(1)C7 s(0.34%)p99.99(91.37%)d24.08(8.28%) 0.006054131 - 1.323164460
198 RY*(2)C7 s(0.40%)p99.99(96.20%)d8.61(3.40%) 0.001962669 - 1.381667175
199 RY*(3)C7 s(0.00%)p1.00(76.01%)d0.32(23.99%) 0.001207009 - 0.639650189
200 RY*(4)C7 s(49.98%)p0.14(7.07%)d0.86(42.95%) 0.000902494 - 1.899250597
201 RY*(5)C7 s(10.87%)p4.03(43.78%)d4.17(45.35%) 0.000496259 - 1.727930651
202 RY*(6)C7 s(0.00%)p1.00(37.94%)d1.64(62.06%) 0.000503418 - 1.855554900
203 RY*(7)C7 s(25.58%)p0.48(12.40%)d2.42(62.02%) 0.000282982 - 1.531902645
204 RY*(8)C7 s(21.49%)p1.98(42.47%)d1.68(36.04%) 0.000134910 - 2.730009984
205 RY*(9)C7 s(4.07%)p5.78(23.57%)d17.76(72.35%) 0.000084056 - 2.290007406
206 RY*(10)C7 s(23.29%)p2.15(50.15%)d1.14(26.56%) 0.000056582 - 2.134840336
207 RY*(11)C7 s(0.00%)p1.00(55.26%)d0.81(44.74%) 0.000053130 - 1.442239182
208 RY*(12)C7 s(39.07%)p1.23(47.89%)d0.33(13.05%) 0.000032063 - 1.935660432
209 RY*(13)C7 s(1.77%)p8.93(15.85%)d46.43(82.38%) 0.000036219 - 3.353817726
210 RY*(14)C7 s(0.00%)p1.00(36.80%)d1.72(63.20%) 0.000018790 - 0.786470560
211 RY*(15)C7 s(0.00%)p1.00(3.41%)d28.35(96.59%) 0.000026023 - 1.890236202
212 RY*(16)C7 s(0.45%)p67.34(30.52%)d99.99(69.03%) 0.000014521 - 2.418052453
213 RY*(17)C7 s(0.00%)p1.00(89.82%)d0.11(10.18%) 0.000004406 - 2.767096189
214 RY*(18)C7 s(8.77%)p8.78(76.99%)d1.62(14.24%) 0.000008389 - 3.283778972
215 RY*(19)C7 s(88.34%)p0.10(9.20%)d0.03(2.47%) 0.000001782 - 19.256331852
216 RY*(20)C7 s(23.93%)p2.08(49.79%)d1.10(26.28%) 0.000004421 - 1.798229234
217 RY*(21)C7 s(0.00%)p1.00(0.80%)d99.99(99.20%) 0.000000230 - 3.359260774
218 RY*(22)C7 s(1.79%)p1.59(2.86%)d53.13(95.35%) 0.000001846 - 3.504098183
219 RY*(1)H8 s(99.52%)p0.00(0.48%) 0.000563696 - 1.389321775
220 RY*(2)H8 s(0.00%)p1.00(100.00%) 0.000213239 - 1.969249164
221 RY*(3)H8 s(93.91%)p0.06(6.09%) 0.000177182 - 1.931860882
222 RY*(4)H8 s(1.72%)p56.99(98.28%) 0.000064281 - 2.605303024
223 RY*(5)H8 s(4.88%)p19.47(95.12%) 0.000047565 - 2.776100479
224 RY*(1)H9 s(99.14%)p0.01(0.86%) 0.000509001 - 1.185916651
225 RY*(2)H9 s(0.00%)p1.00(100.00%) 0.000203577 - 1.923189432
226 RY*(3)H9 s(92.53%)p0.08(7.47%) 0.000160808 - 2.152197473
227 RY*(4)H9 s(4.05%)p23.68(95.95%) 0.000047052 - 2.640947671
228 RY*(5)H9 s(4.32%)p22.12(95.68%) 0.000048090 - 2.602311052
229 RY*(1)H10 s(98.95%)p0.01(1.05%) 0.000477215 - 1.146537395
230 RY*(2)H10 s(0.00%)p1.00(100.00%) 0.000209084 - 1.925123097
231 RY*(3)H10 s(92.81%)p0.08(7.19%) 0.000164433 - 2.145521153
232 RY*(4)H10 s(7.42%)p12.47(92.58%) 0.000039412 - 2.653841488
233 RY*(5)H10 s(0.86%)p99.99(99.14%) 0.000048099 - 2.568362284
234 RY*(1)H11 s(99.21%)p0.01(0.79%) 0.000521033 - 1.184221773
235 RY*(2)H11 s(0.00%)p1.00(100.00%) 0.000200351 - 1.923612144
236 RY*(3)H11 s(91.39%)p0.09(8.61%) 0.000164448 - 2.162485189
237 RY*(4)H11 s(0.61%)p99.99(99.39%) 0.000054739 - 2.564845576
238 RY*(5)H11 s(8.84%)p10.31(91.16%) 0.000039418 - 2.668633404
239 RY*(1)H12 s(99.15%)p0.01(0.85%) 0.000631212 - 1.464146596
240 RY*(2)H12 s(0.00%)p1.00(100.00%) 0.000228619 - 1.966810954
241 RY*(3)H12 s(87.44%)p0.14(12.56%) 0.000167842 - 2.031386362
242 RY*(4)H12 s(1.01%)p98.16(98.99%) 0.000047557 - 2.728256521
243 RY*(5)H12 s(12.44%)p7.04(87.56%) 0.000049548 - 2.547683626
244 RY*(1)C13 s(0.03%)p99.99(93.57%)d99.99(6.41%) 0.002748315 - 0.733596151
245 RY*(2)C13 s(2.55%)p35.85(91.50%)d2.33(5.95%) 0.002284836 - 0.783447089
246 RY*(3)C13 s(56.18%)p0.72(40.26%)d0.06(3.56%) 0.000855917 - 1.007055311
247 RY*(4)C13 s(11.84%)p3.18(37.61%)d4.27(50.56%) 0.000315139 - 0.852581911
248 RY*(5)C13 s(2.02%)p6.58(13.26%)d42.01(84.72%) 0.000175851 - 1.396833271
249 RY*(6)C13 s(10.50%)p2.58(27.09%)d5.94(62.40%) 0.000161022 - 1.193535381
250 RY*(7)C13 s(23.96%)p2.41(57.70%)d0.77(18.34%) 0.000124045 - 1.407419292
251 RY*(8)C13 s(1.78%)p18.89(33.56%)d36.38(64.66%) 0.000120600 - 1.313027401
252 RY*(9)C13 s(1.69%)p9.28(15.69%)d48.89(82.62%) 0.000073158 - 1.175898082
253 RY*(10)C13 s(11.55%)p3.74(43.17%)d3.92(45.28%) 0.000046478 - 1.056544597
254 RY*(11)C13 s(1.41%)p46.29(65.33%)d23.57(33.26%) 0.000032222 - 1.011154883
255 RY*(12)C13 s(6.68%)p12.56(83.91%)d1.41(9.41%) 0.000005282 - 2.634264217
256 RY*(13)C13 s(99.22%)p0.00(0.40%)d0.00(0.38%) 0.000000186 - 23.043814443
257 RY*(14)C13 s(0.08%)p10.26(0.84%)d99.99(99.07%) 0.000001982 - 3.428570790
258 RY*(15)C13 s(2.15%)p44.33(95.36%)d1.16(2.49%) 0.000008022 - 2.831729645
259 RY*(16)C13 s(0.33%)p14.85(4.96%)d99.99(94.71%) 0.000002317 - 3.315008541
260 RY*(17)C13 s(10.41%)p4.01(41.71%)d4.60(47.88%) 0.000004159 - 0.999907267
261 RY*(18)C13 s(2.90%)p2.03(5.90%)d31.43(91.20%) 0.000004247 - 3.261477297
262 RY*(19)C13 s(1.97%)p46.69(92.21%)d2.94(5.81%) 0.000003273 - 3.126072008
263 RY*(20)C13 s(0.29%)p25.49(7.35%)d99.99(92.36%) 0.000006542 - 3.485443093
264 RY*(21)C13 s(52.24%)p0.83(43.53%)d0.08(4.23%) 0.000005059 - 0.456708644
265 RY*(22)C13 s(0.27%)p20.12(5.42%)d99.99(94.31%) 0.000002037 - 3.441532046
266 RY*(1)H14 s(97.66%)p0.02(2.34%) 0.000761081 - 0.735815094
267 RY*(2)H14 s(89.52%)p0.12(10.48%) 0.000244615 - 2.109133573
268 RY*(3)H14 s(1.19%)p83.04(98.81%) 0.000105723 - 2.116732293
269 RY*(4)H14 s(9.06%)p10.03(90.94%) 0.000105739 - 2.258392728
270 RY*(5)H14 s(2.60%)p37.53(97.40%) 0.000018565 - 2.628353814
271 RY*(1)H15 s(95.35%)p0.05(4.65%) 0.000528058 - 0.817426279
272 RY*(2)H15 s(75.87%)p0.32(24.13%) 0.000225215 - 2.134283120
273 RY*(3)H15 s(1.69%)p58.16(98.31%) 0.000117607 - 2.079163081
274 RY*(4)H15 s(22.51%)p3.44(77.49%) 0.000099523 - 2.239547035
275 RY*(5)H15 s(4.60%)p20.72(95.40%) 0.000020808 - 2.642571077
276 RY*(1)H16 s(96.57%)p0.04(3.43%) 0.000630958 - 0.737962586
277 RY*(2)H16 s(92.92%)p0.08(7.08%) 0.000198870 - 2.196649267
278 RY*(3)H16 s(7.61%)p12.13(92.39%) 0.000138144 - 2.331110935
279 RY*(4)H16 s(0.02%)p99.99(99.98%) 0.000117752 - 2.017560000
280 RY*(5)H16 s(2.90%)p33.50(97.10%) 0.000023203 - 2.631612556
281 RY*(1)C17 s(0.03%)p99.99(93.57%)d99.99(6.41%) 0.002748315 - 0.733596151
282 RY*(2)C17 s(2.55%)p35.85(91.50%)d2.33(5.95%) 0.002284836 - 0.783447089
283 RY*(3)C17 s(56.18%)p0.72(40.26%)d0.06(3.56%) 0.000855917 - 1.007055311
284 RY*(4)C17 s(11.84%)p3.18(37.61%)d4.27(50.56%) 0.000315139 - 0.852581910
285 RY*(5)C17 s(2.02%)p6.58(13.26%)d42.01(84.72%) 0.000175851 - 1.396833268
286 RY*(6)C17 s(10.50%)p2.58(27.09%)d5.94(62.40%) 0.000161022 - 1.193535380
287 RY*(7)C17 s(23.96%)p2.41(57.70%)d0.77(18.34%) 0.000124045 - 1.407419305
288 RY*(8)C17 s(1.78%)p18.89(33.56%)d36.38(64.66%) 0.000120600 - 1.313027402
289 RY*(9)C17 s(1.69%)p9.28(15.69%)d48.89(82.62%) 0.000073158 - 1.175898086
290 RY*(10)C17 s(11.55%)p3.74(43.17%)d3.92(45.28%) 0.000046478 - 1.056544592
291 RY*(11)C17 s(1.41%)p46.29(65.33%)d23.57(33.26%) 0.000032222 - 1.011154797
292 RY*(12)C17 s(6.68%)p12.56(83.91%)d1.41(9.41%) 0.000005282 - 2.634264212
293 RY*(13)C17 s(99.22%)p0.00(0.40%)d0.00(0.38%) 0.000000186 - 23.043814457
294 RY*(14)C17 s(0.08%)p10.26(0.84%)d99.99(99.07%) 0.000001982 - 3.428570785
295 RY*(15)C17 s(2.15%)p44.33(95.36%)d1.16(2.49%) 0.000008022 - 2.831729666
296 RY*(16)C17 s(0.33%)p14.85(4.96%)d99.99(94.71%) 0.000002317 - 3.315008551
297 RY*(17)C17 s(10.41%)p4.01(41.71%)d4.60(47.88%) 0.000004159 - 0.999907274
298 RY*(18)C17 s(2.90%)p2.03(5.90%)d31.43(91.20%) 0.000004247 - 3.261477313
299 RY*(19)C17 s(1.97%)p46.69(92.21%)d2.94(5.81%) 0.000003273 - 3.126072007
300 RY*(20)C17 s(0.29%)p25.49(7.35%)d99.99(92.36%) 0.000006542 - 3.485443123
301 RY*(21)C17 s(52.24%)p0.83(43.53%)d0.08(4.23%) 0.000005059 - 0.456708628
302 RY*(22)C17 s(0.27%)p20.12(5.42%)d99.99(94.31%) 0.000002037 - 3.441532052
303 RY*(1)H18 s(95.35%)p0.05(4.65%) 0.000528058 - 0.817426278
304 RY*(2)H18 s(75.87%)p0.32(24.13%) 0.000225215 - 2.134283120
305 RY*(3)H18 s(1.69%)p58.16(98.31%) 0.000117607 - 2.079163081
306 RY*(4)H18 s(22.51%)p3.44(77.49%) 0.000099523 - 2.239547034
307 RY*(5)H18 s(4.60%)p20.72(95.40%) 0.000020808 - 2.642571077
308 RY*(1)H19 s(97.66%)p0.02(2.34%) 0.000761081 - 0.735815095
309 RY*(2)H19 s(89.52%)p0.12(10.48%) 0.000244615 - 2.109133573
310 RY*(3)H19 s(1.19%)p83.04(98.81%) 0.000105723 - 2.116732293
311 RY*(4)H19 s(9.06%)p10.03(90.94%) 0.000105739 - 2.258392728
312 RY*(5)H19 s(2.60%)p37.53(97.40%) 0.000018565 - 2.628353814
313 RY*(1)H20 s(96.57%)p0.04(3.43%) 0.000630958 - 0.737962587
314 RY*(2)H20 s(92.92%)p0.08(7.08%) 0.000198870 - 2.196649266
315 RY*(3)H20 s(7.61%)p12.13(92.39%) 0.000138144 - 2.331110935
316 RY*(4)H20 s(0.02%)p99.99(99.98%) 0.000117752 - 2.017560000
317 RY*(5)H20 s(2.90%)p33.50(97.10%) 0.000023203 - 2.631612556
318 RY*(1)C21 s(0.40%)p99.99(94.53%)d12.81(5.08%) 0.002826607 - 0.789837034
319 RY*(2)C21 s(0.00%)p1.00(93.83%)d0.07(6.17%) 0.002806855 - 0.721470434
320 RY*(3)C21 s(54.59%)p0.73(40.06%)d0.10(5.35%) 0.000717043 - 1.091650430
321 RY*(4)C21 s(8.62%)p3.88(33.46%)d6.72(57.93%) 0.000377598 - 0.907704775
322 RY*(5)C21 s(0.00%)p1.00(16.14%)d5.19(83.86%) 0.000197711 - 1.234772265
323 RY*(6)C21 s(18.37%)p2.18(39.99%)d2.27(41.64%) 0.000169462 - 1.260294053
324 RY*(7)C21 s(0.90%)p52.29(47.21%)d57.46(51.89%) 0.000122050 - 2.217660906
325 RY*(8)C21 s(29.49%)p1.47(43.48%)d0.92(27.02%) 0.000122035 - 1.153573034
326 RY*(9)C21 s(0.00%)p1.00(23.25%)d3.30(76.75%) 0.000082828 - 1.071138127
327 RY*(10)C21 s(6.09%)p9.66(58.85%)d5.75(35.06%) 0.000018739 - 1.682393326
328 RY*(11)C21 s(0.00%)p1.00(60.60%)d0.65(39.40%) 0.000008464 - 0.787453778
329 RY*(12)C21 s(0.00%)p1.00(94.02%)d0.06(5.98%) 0.000001899 - 3.221219483
330 RY*(13)C21 s(2.49%)p2.49(6.21%)d36.61(91.30%) 0.000007355 - 2.642645272
331 RY*(14)C21 s(4.61%)p12.11(55.89%)d8.56(39.49%) 0.000007129 - 1.891200966
332 RY*(15)C21 s(99.52%)p0.00(0.26%)d0.00(0.22%) 0.000000214 - 23.135849298
333 RY*(16)C21 s(0.00%)p1.00(5.08%)d18.70(94.92%) 0.000000128 - 3.368196955
334 RY*(17)C21 s(5.80%)p8.71(50.46%)d7.55(43.75%) 0.000007706 - 1.086353769
335 RY*(18)C21 s(0.00%)p1.00(7.21%)d12.86(92.79%) 0.000001071 - 3.336088434
336 RY*(19)C21 s(1.89%)p49.53(93.82%)d2.26(4.29%) 0.000006417 - 2.929679624
337 RY*(20)C21 s(0.00%)p1.00(2.20%)d44.43(97.80%) 0.000005797 - 3.552167773
338 RY*(21)C21 s(65.98%)p0.49(32.38%)d0.02(1.64%) 0.000000931 - 0.484755782
339 RY*(22)C21 s(1.31%)p1.08(1.41%)d74.40(97.28%) 0.000002032 - 3.558430904
340 RY*(1)H22 s(97.03%)p0.03(2.97%) 0.000701777 - 0.724163367
341 RY*(2)H22 s(89.28%)p0.12(10.72%) 0.000206509 - 2.213548220
342 RY*(3)H22 s(7.72%)p11.96(92.28%) 0.000128158 - 2.331038023
343 RY*(4)H22 s(3.38%)p28.58(96.62%) 0.000107085 - 2.067250779
344 RY*(5)H22 s(2.62%)p37.16(97.38%) 0.000026767 - 2.644452897
345 RY*(1)H23 s(97.03%)p0.03(2.97%) 0.000701777 - 0.724163367
346 RY*(2)H23 s(89.28%)p0.12(10.72%) 0.000206509 - 2.213548220
347 RY*(3)H23 s(7.72%)p11.96(92.28%) 0.000128158 - 2.331038023
348 RY*(4)H23 s(3.38%)p28.58(96.62%) 0.000107085 - 2.067250779
349 RY*(5)H23 s(2.62%)p37.16(97.38%) 0.000026767 - 2.644452897
350 RY*(1)H24 s(97.15%)p0.03(2.85%) 0.000665485 - 0.756197320
351 RY*(2)H24 s(90.08%)p0.11(9.92%) 0.000261724 - 2.164415529
352 RY*(3)H24 s(9.55%)p9.47(90.45%) 0.000105710 - 2.349845071
353 RY*(4)H24 s(0.00%)p1.00(100.00%) 0.000105837 - 2.001926701
354 RY*(5)H24 s(3.24%)p29.89(96.76%) 0.000021683 - 2.646431219

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-C2 4431, 4432 1.965119920 - -0.597763245
2 BD(1)C1-C13 4433, 4434 1.969613002 - -0.586590426
3 BD(1)C1-C17 4435, 4436 1.969613002 - -0.586590426
4 BD(1)C1-C21 4437, 4438 1.976715951 - -0.593523732
5 BD(1)C2-C3 4439, 4440 1.971552868 - -0.682378356
6 BD(1)C2-C7 4441, 4442 1.972491494 - -0.687540856
7 BD(2)C2-C7 4443, 4444 1.657958422 - -0.243388682
8 BD(1)C3-C4 4445, 4446 1.977937120 - -0.693718218
9 BD(2)C3-C4 4447, 4448 1.679458226 - -0.247209553
10 BD(1)C3-H12 4449, 4450 1.977316519 - -0.509200647
11 BD(1)C4-C5 4451, 4452 1.978451259 - -0.691200620
12 BD(1)C4-H11 4453, 4454 1.979226721 - -0.510402687
13 BD(1)C5-C6 4455, 4456 1.978736095 - -0.693970665
14 BD(2)C5-C6 4457, 4458 1.676514588 - -0.246927942
15 BD(1)C5-H10 4459, 4460 1.979533038 - -0.511698974
16 BD(1)C6-C7 4461, 4462 1.977694242 - -0.689279096
17 BD(1)C6-H9 4463, 4464 1.979194851 - -0.509870692
18 BD(1)C7-H8 4465, 4466 1.976686767 - -0.507957330
19 BD(1)C13-H14 4467, 4468 1.987628329 - -0.493165803
20 BD(1)C13-H15 4469, 4470 1.988505621 - -0.492389651
21 BD(1)C13-H16 4471, 4472 1.988047751 - -0.495659360
22 BD(1)C17-H18 4473, 4474 1.988505621 - -0.492389651
23 BD(1)C17-H19 4475, 4476 1.987628329 - -0.493165803
24 BD(1)C17-H20 4477, 4478 1.988047751 - -0.495659360
25 BD(1)C21-H22 4479, 4480 1.988288626 - -0.495905686
26 BD(1)C21-H23 4481, 4482 1.988288627 - -0.495905686
27 BD(1)C21-H24 4483, 4484 1.987573966 - -0.493656143
28 CR(1)C1 4485 1.999150461 - -10.051425152
29 CR(1)C2 4486 1.998964995 - -10.028363280
30 CR(1)C3 4487 1.999039337 - -10.019776166
31 CR(1)C4 4488 1.999153288 - -10.024619752
32 CR(1)C5 4489 1.999141934 - -10.022940862
33 CR(1)C6 4490 1.999152966 - -10.024256685
34 CR(1)C7 4491 1.999034461 - -10.018967328
35 CR(1)C13 4492 1.999291314 - -10.012553390
36 CR(1)C17 4493 1.999291314 - -10.012553390
37 CR(1)C21 4494 1.999302119 - -10.011815950
38 RY*(1)C1 4495 0.006005624 - 0.985432698
39 RY*(2)C1 4496 0.002326074 - 1.000913567
40 RY*(3)C1 4497 0.001777773 - 0.978148925
41 RY*(4)C1 4498 0.001403925 - 1.186130943
42 RY*(5)C1 4499 0.001232190 - 1.064964482
43 RY*(6)C1 4500 0.001112998 - 1.170544988
44 RY*(7)C1 4501 0.000803421 - 0.590245657
45 RY*(8)C1 4502 0.000468043 - 3.483194101
46 RY*(9)C1 4503 0.000450414 - 2.773003964
47 RY*(10)C1 4504 0.000254184 - 1.501698115
48 RY*(11)C1 4505 0.000160575 - 1.577334890
49 RY*(12)C1 4506 0.000134721 - 2.746766973
50 RY*(13)C1 4507 0.000095644 - 1.490222068
51 RY*(14)C1 4508 0.000081794 - 2.517775012
52 RY*(15)C1 4509 0.000044035 - 1.609523606
53 RY*(16)C1 4510 0.000052657 - 3.573344848
54 RY*(17)C1 4511 0.000014887 - 3.140899191
55 RY*(18)C1 4512 0.000010275 - 2.452299083
56 RY*(19)C1 4513 0.000019890 - 3.183170746
57 RY*(20)C1 4514 0.000005868 - 2.886080862
58 RY*(21)C1 4515 0.000008048 - 2.580215943
59 RY*(22)C1 4516 0.000000466 - 22.376947134
60 RY*(1)C2 4517 0.007131341 - 1.297345438
61 RY*(2)C2 4518 0.004557978 - 1.197474688
62 RY*(3)C2 4519 0.003678893 - 0.744050854
63 RY*(4)C2 4520 0.001532916 - 1.017725021
64 RY*(5)C2 4521 0.000867445 - 3.087921122
65 RY*(6)C2 4522 0.000692670 - 2.488565989
66 RY*(7)C2 4523 0.000471762 - 3.176252825
67 RY*(8)C2 4524 0.000256152 - 2.358378098
68 RY*(9)C2 4525 0.000221708 - 1.240900288
69 RY*(10)C2 4526 0.000179812 - 2.427628560
70 RY*(11)C2 4527 0.000118349 - 1.729918388
71 RY*(12)C2 4528 0.000109338 - 1.058579094
72 RY*(13)C2 4529 0.000072748 - 3.072026126
73 RY*(14)C2 4530 0.000043224 - 0.999831271
74 RY*(15)C2 4531 0.000043538 - 3.622433125
75 RY*(16)C2 4532 0.000037901 - 3.137863805
76 RY*(17)C2 4533 0.000017997 - 3.445479066
77 RY*(18)C2 4534 0.000001829 - 0.848935799
78 RY*(19)C2 4535 0.000002513 - 3.087450055
79 RY*(20)C2 4536 0.000005502 - 1.090174304
80 RY*(21)C2 4537 0.000002295 - 21.007198517
81 RY*(22)C2 4538 0.000002022 - 3.357575704
82 RY*(1)C3 4539 0.006360635 - 1.328742006
83 RY*(2)C3 4540 0.002088351 - 1.221753009
84 RY*(3)C3 4541 0.001041341 - 0.684923232
85 RY*(4)C3 4542 0.000920802 - 1.686300628
86 RY*(5)C3 4543 0.000551808 - 1.973307544
87 RY*(6)C3 4544 0.000464169 - 2.046786904
88 RY*(7)C3 4545 0.000324711 - 1.684208065
89 RY*(8)C3 4546 0.000138126 - 2.522369151
90 RY*(9)C3 4547 0.000081157 - 2.257998432
91 RY*(10)C3 4548 0.000065520 - 2.117576545
92 RY*(11)C3 4549 0.000068517 - 0.897534923
93 RY*(12)C3 4550 0.000037604 - 3.917330686
94 RY*(13)C3 4551 0.000026373 - 1.031931736
95 RY*(14)C3 4552 0.000016216 - 2.965270290
96 RY*(15)C3 4553 0.000024802 - 1.302240650
97 RY*(16)C3 4554 0.000018774 - 2.839111659
98 RY*(17)C3 4555 0.000001282 - 2.883947786
99 RY*(18)C3 4556 0.000002762 - 2.938874037
100 RY*(19)C3 4557 0.000002303 - 18.734143802
101 RY*(20)C3 4558 0.000006665 - 2.739605397
102 RY*(21)C3 4559 0.000003602 - 2.269860014
103 RY*(22)C3 4560 0.000001697 - 3.379334710
104 RY*(1)C4 4561 0.006618108 - 1.252843139
105 RY*(2)C4 4562 0.002158807 - 1.313199400
106 RY*(3)C4 4563 0.001176478 - 0.461188156
107 RY*(4)C4 4564 0.000866953 - 1.777535606
108 RY*(5)C4 4565 0.000542403 - 1.769976387
109 RY*(6)C4 4566 0.000398981 - 2.739652323
110 RY*(7)C4 4567 0.000137216 - 2.297855698
111 RY*(8)C4 4568 0.000115987 - 2.427509623
112 RY*(9)C4 4569 0.000076090 - 1.819275665
113 RY*(10)C4 4570 0.000051270 - 2.623203447
114 RY*(11)C4 4571 0.000034002 - 1.807874909
115 RY*(12)C4 4572 0.000015686 - 0.557019999
116 RY*(13)C4 4573 0.000013598 - 3.752443104
117 RY*(14)C4 4574 0.000015540 - 3.423166609
118 RY*(15)C4 4575 0.000007192 - 1.288264980
119 RY*(16)C4 4576 0.000002509 - 2.970449527
120 RY*(17)C4 4577 0.000011800 - 2.795016002
121 RY*(18)C4 4578 0.000006208 - 1.650118150
122 RY*(19)C4 4579 0.000004531 - 2.789656773
123 RY*(20)C4 4580 0.000000777 - 17.647078929
124 RY*(21)C4 4581 0.000001309 - 1.811299923
125 RY*(22)C4 4582 0.000003143 - 3.238170699
126 RY*(1)C5 4583 0.006277841 - 1.295291599
127 RY*(2)C5 4584 0.002167145 - 1.343048569
128 RY*(3)C5 4585 0.001214732 - 0.408656452
129 RY*(4)C5 4586 0.000873229 - 1.718869967
130 RY*(5)C5 4587 0.000613877 - 1.515352224
131 RY*(6)C5 4588 0.000361508 - 3.081615943
132 RY*(7)C5 4589 0.000153612 - 2.211458916
133 RY*(8)C5 4590 0.000118495 - 2.154573739
134 RY*(9)C5 4591 0.000056048 - 2.773814786
135 RY*(10)C5 4592 0.000045023 - 1.328496380
136 RY*(11)C5 4593 0.000024004 - 2.581488232
137 RY*(12)C5 4594 0.000012932 - 2.152264757
138 RY*(13)C5 4595 0.000001178 - 19.313670602
139 RY*(14)C5 4596 0.000008166 - 2.860915270
140 RY*(15)C5 4597 0.000004724 - 3.076047522
141 RY*(16)C5 4598 0.000000606 - 1.385549619
142 RY*(17)C5 4599 0.000001191 - 1.483713210
143 RY*(18)C5 4600 0.000000649 - 2.799406282
144 RY*(19)C5 4601 0.000002121 - 2.072114741
145 RY*(20)C5 4602 0.000005226 - 0.436486215
146 RY*(21)C5 4603 0.000000477 - 2.798618197
147 RY*(22)C5 4604 0.000005276 - 3.379435721
148 RY*(1)C6 4605 0.006620702 - 1.252790048
149 RY*(2)C6 4606 0.002146191 - 1.340042229
150 RY*(3)C6 4607 0.001137597 - 0.421107193
151 RY*(4)C6 4608 0.000912295 - 1.758005384
152 RY*(5)C6 4609 0.000556930 - 1.718133174
153 RY*(6)C6 4610 0.000397315 - 2.943291112
154 RY*(7)C6 4611 0.000135555 - 1.746253690
155 RY*(8)C6 4612 0.000122946 - 3.486479821
156 RY*(9)C6 4613 0.000057930 - 2.525988520
157 RY*(10)C6 4614 0.000062864 - 1.164354836
158 RY*(11)C6 4615 0.000037129 - 2.349393139
159 RY*(12)C6 4616 0.000015103 - 2.286149964
160 RY*(13)C6 4617 0.000012402 - 2.157569903
161 RY*(14)C6 4618 0.000007670 - 2.987539001
162 RY*(15)C6 4619 0.000003222 - 2.092208015
163 RY*(16)C6 4620 0.000002952 - 1.498643326
164 RY*(17)C6 4621 0.000011836 - 1.672513260
165 RY*(18)C6 4622 0.000006783 - 2.620531721
166 RY*(19)C6 4623 0.000002003 - 2.803080345
167 RY*(20)C6 4624 0.000002005 - 19.569438202
168 RY*(21)C6 4625 0.000005369 - 0.482370657
169 RY*(22)C6 4626 0.000001442 - 3.408311066
170 RY*(1)C7 4627 0.006054131 - 1.323164460
171 RY*(2)C7 4628 0.001962669 - 1.381667175
172 RY*(3)C7 4629 0.001207009 - 0.639650189
173 RY*(4)C7 4630 0.000902494 - 1.899250597
174 RY*(5)C7 4631 0.000496259 - 1.727930651
175 RY*(6)C7 4632 0.000503418 - 1.855554900
176 RY*(7)C7 4633 0.000282982 - 1.531902645
177 RY*(8)C7 4634 0.000134910 - 2.730009984
178 RY*(9)C7 4635 0.000084056 - 2.290007406
179 RY*(10)C7 4636 0.000056582 - 2.134840336
180 RY*(11)C7 4637 0.000053130 - 1.442239182
181 RY*(12)C7 4638 0.000032063 - 1.935660432
182 RY*(13)C7 4639 0.000036219 - 3.353817726
183 RY*(14)C7 4640 0.000018790 - 0.786470560
184 RY*(15)C7 4641 0.000026023 - 1.890236202
185 RY*(16)C7 4642 0.000014521 - 2.418052453
186 RY*(17)C7 4643 0.000004406 - 2.767096189
187 RY*(18)C7 4644 0.000008389 - 3.283778972
188 RY*(19)C7 4645 0.000001782 - 19.256331852
189 RY*(20)C7 4646 0.000004421 - 1.798229234
190 RY*(21)C7 4647 0.000000230 - 3.359260774
191 RY*(22)C7 4648 0.000001846 - 3.504098183
192 RY*(1)H8 4649 0.000563696 - 1.389321775
193 RY*(2)H8 4650 0.000213239 - 1.969249164
194 RY*(3)H8 4651 0.000177182 - 1.931860882
195 RY*(4)H8 4652 0.000064281 - 2.605303024
196 RY*(5)H8 4653 0.000047565 - 2.776100479
197 RY*(1)H9 4654 0.000509001 - 1.185916651
198 RY*(2)H9 4655 0.000203577 - 1.923189432
199 RY*(3)H9 4656 0.000160808 - 2.152197473
200 RY*(4)H9 4657 0.000047052 - 2.640947671
201 RY*(5)H9 4658 0.000048090 - 2.602311052
202 RY*(1)H10 4659 0.000477215 - 1.146537395
203 RY*(2)H10 4660 0.000209084 - 1.925123097
204 RY*(3)H10 4661 0.000164433 - 2.145521153
205 RY*(4)H10 4662 0.000039412 - 2.653841488
206 RY*(5)H10 4663 0.000048099 - 2.568362284
207 RY*(1)H11 4664 0.000521033 - 1.184221773
208 RY*(2)H11 4665 0.000200351 - 1.923612144
209 RY*(3)H11 4666 0.000164448 - 2.162485189
210 RY*(4)H11 4667 0.000054739 - 2.564845576
211 RY*(5)H11 4668 0.000039418 - 2.668633404
212 RY*(1)H12 4669 0.000631212 - 1.464146596
213 RY*(2)H12 4670 0.000228619 - 1.966810954
214 RY*(3)H12 4671 0.000167842 - 2.031386362
215 RY*(4)H12 4672 0.000047557 - 2.728256521
216 RY*(5)H12 4673 0.000049548 - 2.547683626
217 RY*(1)C13 4674 0.002748315 - 0.733596151
218 RY*(2)C13 4675 0.002284836 - 0.783447089
219 RY*(3)C13 4676 0.000855917 - 1.007055311
220 RY*(4)C13 4677 0.000315139 - 0.852581911
221 RY*(5)C13 4678 0.000175851 - 1.396833271
222 RY*(6)C13 4679 0.000161022 - 1.193535381
223 RY*(7)C13 4680 0.000124045 - 1.407419292
224 RY*(8)C13 4681 0.000120600 - 1.313027401
225 RY*(9)C13 4682 0.000073158 - 1.175898082
226 RY*(10)C13 4683 0.000046478 - 1.056544597
227 RY*(11)C13 4684 0.000032222 - 1.011154883
228 RY*(12)C13 4685 0.000005282 - 2.634264217
229 RY*(13)C13 4686 0.000000186 - 23.043814443
230 RY*(14)C13 4687 0.000001982 - 3.428570790
231 RY*(15)C13 4688 0.000008022 - 2.831729645
232 RY*(16)C13 4689 0.000002317 - 3.315008541
233 RY*(17)C13 4690 0.000004159 - 0.999907267
234 RY*(18)C13 4691 0.000004247 - 3.261477297
235 RY*(19)C13 4692 0.000003273 - 3.126072008
236 RY*(20)C13 4693 0.000006542 - 3.485443093
237 RY*(21)C13 4694 0.000005059 - 0.456708644
238 RY*(22)C13 4695 0.000002037 - 3.441532046
239 RY*(1)H14 4696 0.000761081 - 0.735815094
240 RY*(2)H14 4697 0.000244615 - 2.109133573
241 RY*(3)H14 4698 0.000105723 - 2.116732293
242 RY*(4)H14 4699 0.000105739 - 2.258392728
243 RY*(5)H14 4700 0.000018565 - 2.628353814
244 RY*(1)H15 4701 0.000528058 - 0.817426279
245 RY*(2)H15 4702 0.000225215 - 2.134283120
246 RY*(3)H15 4703 0.000117607 - 2.079163081
247 RY*(4)H15 4704 0.000099523 - 2.239547035
248 RY*(5)H15 4705 0.000020808 - 2.642571077
249 RY*(1)H16 4706 0.000630958 - 0.737962586
250 RY*(2)H16 4707 0.000198870 - 2.196649267
251 RY*(3)H16 4708 0.000138144 - 2.331110935
252 RY*(4)H16 4709 0.000117752 - 2.017560000
253 RY*(5)H16 4710 0.000023203 - 2.631612556
254 RY*(1)C17 4711 0.002748315 - 0.733596151
255 RY*(2)C17 4712 0.002284836 - 0.783447089
256 RY*(3)C17 4713 0.000855917 - 1.007055311
257 RY*(4)C17 4714 0.000315139 - 0.852581910
258 RY*(5)C17 4715 0.000175851 - 1.396833268
259 RY*(6)C17 4716 0.000161022 - 1.193535380
260 RY*(7)C17 4717 0.000124045 - 1.407419305
261 RY*(8)C17 4718 0.000120600 - 1.313027402
262 RY*(9)C17 4719 0.000073158 - 1.175898086
263 RY*(10)C17 4720 0.000046478 - 1.056544592
264 RY*(11)C17 4721 0.000032222 - 1.011154797
265 RY*(12)C17 4722 0.000005282 - 2.634264212
266 RY*(13)C17 4723 0.000000186 - 23.043814457
267 RY*(14)C17 4724 0.000001982 - 3.428570785
268 RY*(15)C17 4725 0.000008022 - 2.831729666
269 RY*(16)C17 4726 0.000002317 - 3.315008551
270 RY*(17)C17 4727 0.000004159 - 0.999907274
271 RY*(18)C17 4728 0.000004247 - 3.261477313
272 RY*(19)C17 4729 0.000003273 - 3.126072007
273 RY*(20)C17 4730 0.000006542 - 3.485443123
274 RY*(21)C17 4731 0.000005059 - 0.456708628
275 RY*(22)C17 4732 0.000002037 - 3.441532052
276 RY*(1)H18 4733 0.000528058 - 0.817426278
277 RY*(2)H18 4734 0.000225215 - 2.134283120
278 RY*(3)H18 4735 0.000117607 - 2.079163081
279 RY*(4)H18 4736 0.000099523 - 2.239547034
280 RY*(5)H18 4737 0.000020808 - 2.642571077
281 RY*(1)H19 4738 0.000761081 - 0.735815095
282 RY*(2)H19 4739 0.000244615 - 2.109133573
283 RY*(3)H19 4740 0.000105723 - 2.116732293
284 RY*(4)H19 4741 0.000105739 - 2.258392728
285 RY*(5)H19 4742 0.000018565 - 2.628353814
286 RY*(1)H20 4743 0.000630958 - 0.737962587
287 RY*(2)H20 4744 0.000198870 - 2.196649266
288 RY*(3)H20 4745 0.000138144 - 2.331110935
289 RY*(4)H20 4746 0.000117752 - 2.017560000
290 RY*(5)H20 4747 0.000023203 - 2.631612556
291 RY*(1)C21 4748 0.002826607 - 0.789837034
292 RY*(2)C21 4749 0.002806855 - 0.721470434
293 RY*(3)C21 4750 0.000717043 - 1.091650430
294 RY*(4)C21 4751 0.000377598 - 0.907704775
295 RY*(5)C21 4752 0.000197711 - 1.234772265
296 RY*(6)C21 4753 0.000169462 - 1.260294053
297 RY*(7)C21 4754 0.000122050 - 2.217660906
298 RY*(8)C21 4755 0.000122035 - 1.153573034
299 RY*(9)C21 4756 0.000082828 - 1.071138127
300 RY*(10)C21 4757 0.000018739 - 1.682393326
301 RY*(11)C21 4758 0.000008464 - 0.787453778
302 RY*(12)C21 4759 0.000001899 - 3.221219483
303 RY*(13)C21 4760 0.000007355 - 2.642645272
304 RY*(14)C21 4761 0.000007129 - 1.891200966
305 RY*(15)C21 4762 0.000000214 - 23.135849298
306 RY*(16)C21 4763 0.000000128 - 3.368196955
307 RY*(17)C21 4764 0.000007706 - 1.086353769
308 RY*(18)C21 4765 0.000001071 - 3.336088434
309 RY*(19)C21 4766 0.000006417 - 2.929679624
310 RY*(20)C21 4767 0.000005797 - 3.552167773
311 RY*(21)C21 4768 0.000000931 - 0.484755782
312 RY*(22)C21 4769 0.000002032 - 3.558430904
313 RY*(1)H22 4770 0.000701777 - 0.724163367
314 RY*(2)H22 4771 0.000206509 - 2.213548220
315 RY*(3)H22 4772 0.000128158 - 2.331038023
316 RY*(4)H22 4773 0.000107085 - 2.067250779
317 RY*(5)H22 4774 0.000026767 - 2.644452897
318 RY*(1)H23 4775 0.000701777 - 0.724163367
319 RY*(2)H23 4776 0.000206509 - 2.213548220
320 RY*(3)H23 4777 0.000128158 - 2.331038023
321 RY*(4)H23 4778 0.000107085 - 2.067250779
322 RY*(5)H23 4779 0.000026767 - 2.644452897
323 RY*(1)H24 4780 0.000665485 - 0.756197320
324 RY*(2)H24 4781 0.000261724 - 2.164415529
325 RY*(3)H24 4782 0.000105710 - 2.349845071
326 RY*(4)H24 4783 0.000105837 - 2.001926701
327 RY*(5)H24 4784 0.000021683 - 2.646431219
328 BD*(1)C1-C2 0.039796578 - 0.406661586
329 BD*(1)C1-C13 0.023657494 - 0.366131131
330 BD*(1)C1-C17 0.023657494 - 0.366131131
331 BD*(1)C1-C21 0.020434726 - 0.375888133
332 BD*(1)C2-C3 0.024138749 - 0.568953116
333 BD*(1)C2-C7 0.024285371 - 0.575115775
334 BD*(2)C2-C7 0.332156312 - 0.044452613
335 BD*(1)C3-C4 0.015711087 - 0.582897671
336 BD*(2)C3-C4 0.323051920 - 0.036893306
337 BD*(1)C3-H12 0.015498610 - 0.441048847
338 BD*(1)C4-C5 0.016671296 - 0.576872377
339 BD*(1)C4-H11 0.014194240 - 0.437086017
340 BD*(1)C5-C6 0.016469521 - 0.582870745
341 BD*(2)C5-C6 0.329425308 - 0.035979882
342 BD*(1)C5-H10 0.014318187 - 0.439521985
343 BD*(1)C6-C7 0.015847905 - 0.578657841
344 BD*(1)C6-H9 0.014076849 - 0.438301424
345 BD*(1)C7-H8 0.015122501 - 0.446378168
346 BD*(1)C13-H14 0.007101384 - 0.409531378
347 BD*(1)C13-H15 0.006255915 - 0.414798564
348 BD*(1)C13-H16 0.006413680 - 0.415552142
349 BD*(1)C17-H18 0.006255915 - 0.414798564
350 BD*(1)C17-H19 0.007101384 - 0.409531378
351 BD*(1)C17-H20 0.006413680 - 0.415552142
352 BD*(1)C21-H22 0.006870076 - 0.411764504
353 BD*(1)C21-H23 0.006870076 - 0.411764505
354 BD*(1)C21-H24 0.006541259 - 0.413732043

Quote

WE HAVE SEEN THAT MAN ON THE AVERAGE DOES NOT LIVE ABOVE TWO-AND-TWENTY YEARS. DURING THESE TWO AND TWENTY YEARS HE IS LIABLE TO TWO AND TWENTY THOUSAND EVILS, MANY OF WHICH ARE INCURABLE. YET EVEN IN THIS DREADFUL STATE MEN STILL STRUT AND POSE ON THE STAGE OF LIFE. THEY MAKE LOVE AT THE RISK OF DESTRUCTION, INTRIGUE, CARRY ON WAR, AND FORM PROJECTS, JUST AS IF THEY WERE TO LIVE IN LUXURY AND HAPPINESS FOR A THOUSAND AGES. -- VOLTAIRE