WebMO Job Summary

385379: C8H6O3 piperonal conformer 1, 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 C8H6O3
Symmetry C1
Basis 6-311+G(2d,p)
RB3LYP Energy -534.268014459 Hartree
Dipole Moment 4.2648 Debye
Server class (386962)
CPU time 345.7 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 2.8832126 0.09617362022
b 0.7501377 0.02502190032
c 0.5978200 0.01994112874

Partial Charges

Atom Symbol Charge
1 C 0.196448  
2 O -0.463475  
3 C 0.258016  
4 C 0.602693  
5 C -0.321465  
6 C -0.556821  
7 C 0.567956  
8 C -0.235540  
9 H 0.133497  
10 C 0.161042  
11 O -0.413989  
12 H 0.078373  
13 H 0.094788  
14 H 0.103061  
15 O -0.467058  
16 H 0.129259  
17 H 0.133215  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -19.1948
2 - 2 - -19.18914
3 - 2 - -19.11898
4 - 2 - -10.3112
5 - 2 - -10.26213
6 - 2 - -10.25956
7 - 2 - -10.25565
8 - 2 - -10.20194
9 - 2 - -10.20054
10 - 2 - -10.19743
11 - 2 - -10.19623
12 - 2 - -1.15391
13 - 2 - -1.0629
14 - 2 - -1.04866
15 - 2 - -0.88903
16 - 2 - -0.79573
17 - 2 - -0.78137
18 - 2 - -0.71385
19 - 2 - -0.66205
20 - 2 - -0.64976
21 - 2 - -0.60078
22 - 2 - -0.55162
23 - 2 - -0.54656
24 - 2 - -0.54175
25 - 2 - -0.51146
26 - 2 - -0.46856
27 - 2 - -0.46459
28 - 2 - -0.4578
29 - 2 - -0.42804
30 - 2 - -0.42752
31 - 2 - -0.41519
32 - 2 - -0.40949
33 - 2 - -0.40004
34 - 2 - -0.39387
35 - 2 - -0.37615
36 - 2 - -0.33624
37 - 2 - -0.2732
38 - 2 - -0.26452
39 - 2 - -0.23738
40 - 0 - -0.07146
41 - 0 - -0.0284
42 - 0 - -0.00223
43 - 0 - 0.00631
44 - 0 - 0.01803
45 - 0 - 0.02019
46 - 0 - 0.02373
47 - 0 - 0.03266
48 - 0 - 0.03332
49 - 0 - 0.04485
50 - 0 - 0.05807
51 - 0 - 0.06113
52 - 0 - 0.06331
53 - 0 - 0.07951
54 - 0 - 0.08225
55 - 0 - 0.0992
56 - 0 - 0.10127
57 - 0 - 0.10892
58 - 0 - 0.11237
59 - 0 - 0.11787
60 - 0 - 0.12157
61 - 0 - 0.13585
62 - 0 - 0.13675
63 - 0 - 0.13947
64 - 0 - 0.14845
65 - 0 - 0.15101
66 - 0 - 0.15652
67 - 0 - 0.15787
68 - 0 - 0.17039
69 - 0 - 0.17943
70 - 0 - 0.18011
71 - 0 - 0.18573
72 - 0 - 0.19462
73 - 0 - 0.1969
74 - 0 - 0.20043
75 - 0 - 0.20795
76 - 0 - 0.21177
77 - 0 - 0.22002
78 - 0 - 0.22891
79 - 0 - 0.234
80 - 0 - 0.24005
81 - 0 - 0.24334
82 - 0 - 0.26042
83 - 0 - 0.26407
84 - 0 - 0.27239
85 - 0 - 0.27492
86 - 0 - 0.27847
87 - 0 - 0.28056
88 - 0 - 0.28798
89 - 0 - 0.29775
90 - 0 - 0.30648
91 - 0 - 0.3115
92 - 0 - 0.3123
93 - 0 - 0.32454
94 - 0 - 0.33689
95 - 0 - 0.34394
96 - 0 - 0.34861
97 - 0 - 0.35753
98 - 0 - 0.3832
99 - 0 - 0.39961
100 - 0 - 0.40938
101 - 0 - 0.42944
102 - 0 - 0.433
103 - 0 - 0.45413
104 - 0 - 0.45693
105 - 0 - 0.4787
106 - 0 - 0.48101
107 - 0 - 0.49
108 - 0 - 0.49846
109 - 0 - 0.51229
110 - 0 - 0.526
111 - 0 - 0.53849
112 - 0 - 0.53941
113 - 0 - 0.5693
114 - 0 - 0.57527
115 - 0 - 0.58477
116 - 0 - 0.58913
117 - 0 - 0.60151
118 - 0 - 0.61305
119 - 0 - 0.61962
120 - 0 - 0.6233
121 - 0 - 0.62896
122 - 0 - 0.65077
123 - 0 - 0.66004
124 - 0 - 0.67085
125 - 0 - 0.67639
126 - 0 - 0.68479
127 - 0 - 0.69129
128 - 0 - 0.69753
129 - 0 - 0.71342
130 - 0 - 0.73207
131 - 0 - 0.74811
132 - 0 - 0.75557
133 - 0 - 0.76712
134 - 0 - 0.77287
135 - 0 - 0.78382
136 - 0 - 0.79166
137 - 0 - 0.79759
138 - 0 - 0.81493
139 - 0 - 0.82446
140 - 0 - 0.83784
141 - 0 - 0.86501
142 - 0 - 0.87199
143 - 0 - 0.87566
144 - 0 - 0.9002
145 - 0 - 0.91047
146 - 0 - 0.92508
147 - 0 - 0.93875
148 - 0 - 0.9534
149 - 0 - 0.96774
150 - 0 - 0.984
151 - 0 - 1.00303
152 - 0 - 1.03865
153 - 0 - 1.04707
154 - 0 - 1.05287
155 - 0 - 1.07739
156 - 0 - 1.09455
157 - 0 - 1.09683
158 - 0 - 1.117
159 - 0 - 1.13987
160 - 0 - 1.14385
161 - 0 - 1.14996
162 - 0 - 1.16744
163 - 0 - 1.18285
164 - 0 - 1.18643
165 - 0 - 1.19515
166 - 0 - 1.20283
167 - 0 - 1.22057
168 - 0 - 1.22226
169 - 0 - 1.24896
170 - 0 - 1.25992
171 - 0 - 1.29608
172 - 0 - 1.31074
173 - 0 - 1.31907
174 - 0 - 1.33387
175 - 0 - 1.34262
176 - 0 - 1.3584
177 - 0 - 1.39259
178 - 0 - 1.42277
179 - 0 - 1.4498
180 - 0 - 1.4639
181 - 0 - 1.47628
182 - 0 - 1.48653
183 - 0 - 1.53601
184 - 0 - 1.55779
185 - 0 - 1.5626
186 - 0 - 1.57213
187 - 0 - 1.60678
188 - 0 - 1.61305
189 - 0 - 1.63482
190 - 0 - 1.69871
191 - 0 - 1.70435
192 - 0 - 1.7242
193 - 0 - 1.73466
194 - 0 - 1.74876
195 - 0 - 1.7561
196 - 0 - 1.79583
197 - 0 - 1.79959
198 - 0 - 1.82926
199 - 0 - 1.85457
200 - 0 - 1.87817
201 - 0 - 1.93571
202 - 0 - 1.95922
203 - 0 - 1.96188
204 - 0 - 2.00192
205 - 0 - 2.01908
206 - 0 - 2.07442
207 - 0 - 2.08538
208 - 0 - 2.14349
209 - 0 - 2.16768
210 - 0 - 2.18201
211 - 0 - 2.19399
212 - 0 - 2.22247
213 - 0 - 2.22762
214 - 0 - 2.33929
215 - 0 - 2.35616
216 - 0 - 2.40412
217 - 0 - 2.40978
218 - 0 - 2.46106
219 - 0 - 2.51164
220 - 0 - 2.51896
221 - 0 - 2.55188
222 - 0 - 2.57784
223 - 0 - 2.5949
224 - 0 - 2.616
225 - 0 - 2.62668
226 - 0 - 2.65909
227 - 0 - 2.67953
228 - 0 - 2.70989
229 - 0 - 2.72209
230 - 0 - 2.73113
231 - 0 - 2.74153
232 - 0 - 2.84447
233 - 0 - 2.848
234 - 0 - 2.87334
235 - 0 - 2.8873
236 - 0 - 2.90594
237 - 0 - 2.9135
238 - 0 - 2.94134
239 - 0 - 3.04413
240 - 0 - 3.0662
241 - 0 - 3.09368
242 - 0 - 3.10001
243 - 0 - 3.13181
244 - 0 - 3.14463
245 - 0 - 3.17387
246 - 0 - 3.21845
247 - 0 - 3.23201
248 - 0 - 3.24285
249 - 0 - 3.27236
250 - 0 - 3.29154
251 - 0 - 3.30486
252 - 0 - 3.32712
253 - 0 - 3.3332
254 - 0 - 3.34287
255 - 0 - 3.35619
256 - 0 - 3.3588
257 - 0 - 3.38817
258 - 0 - 3.39509
259 - 0 - 3.40528
260 - 0 - 3.43137
261 - 0 - 3.46396
262 - 0 - 3.47088
263 - 0 - 3.48523
264 - 0 - 3.54656
265 - 0 - 3.56177
266 - 0 - 3.56637
267 - 0 - 3.57447
268 - 0 - 3.58187
269 - 0 - 3.5885
270 - 0 - 3.61547
271 - 0 - 3.64426
272 - 0 - 3.65288
273 - 0 - 3.67111
274 - 0 - 3.67578
275 - 0 - 3.7079
276 - 0 - 3.76393
277 - 0 - 3.77321
278 - 0 - 3.78568
279 - 0 - 3.83975
280 - 0 - 3.86196
281 - 0 - 3.91664
282 - 0 - 3.92619
283 - 0 - 3.96911
284 - 0 - 4.00353
285 - 0 - 4.02273
286 - 0 - 4.04182
287 - 0 - 4.06944
288 - 0 - 4.1093
289 - 0 - 4.15124
290 - 0 - 4.16686
291 - 0 - 4.18314
292 - 0 - 4.4145
293 - 0 - 4.48615
294 - 0 - 4.65343
295 - 0 - 4.75961
296 - 0 - 4.86224
297 - 0 - 5.00063
298 - 0 - 5.03594
299 - 0 - 5.04595
300 - 0 - 5.23858
301 - 0 - 5.27162
302 - 0 - 5.39814
303 - 0 - 5.55293
304 - 0 - 5.69253
305 - 0 - 5.93696
306 - 0 - 6.04797
307 - 0 - 6.79496
308 - 0 - 6.86742
309 - 0 - 6.92456
310 - 0 - 6.95325
311 - 0 - 6.98169
312 - 0 - 7.01548
313 - 0 - 7.06909
314 - 0 - 7.08252
315 - 0 - 7.10518
316 - 0 - 7.22018
317 - 0 - 7.2501
318 - 0 - 7.28435
319 - 0 - 7.33999
320 - 0 - 7.42455
321 - 0 - 7.51609
322 - 0 - 23.69115
323 - 0 - 23.93884
324 - 0 - 23.98055
325 - 0 - 24.05673
326 - 0 - 24.08498
327 - 0 - 24.13377
328 - 0 - 24.16676
329 - 0 - 24.22469
330 - 0 - 49.99621
331 - 0 - 50.0064
332 - 0 - 50.04105
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C 0.31160  
2 O -0.54118  
3 C 0.26798  
4 C 0.30050  
5 C -0.25664  
6 C -0.15853  
7 C -0.17225  
8 C -0.20308  
9 H 0.24399  
10 C 0.42260  
11 O -0.54967  
12 H 0.10579  
13 H 0.21140  
14 H 0.22567  
15 O -0.53590  
16 H 0.15823  
17 H 0.16948  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.999299319 - -10.201108110
2 C1 Val(2S) 1.011813274 - -0.304132926
3 C1 Ryd(4S) 0.001884068 - 0.966149773
4 C1 Ryd(3S) 0.000085098 - 0.766373426
5 C1 Ryd(5S) 0.000008927 - 23.491701765
6 C1 Val(2p) 0.854909910 - -0.132592959
7 C1 Ryd(4p) 0.002381045 - 0.949108784
8 C1 Ryd(3p) 0.000088029 - 0.782903017
9 C1 Ryd(5p) 0.000065130 - 1.907538633
10 C1 Val(2p) 0.628997925 - -0.105123711
11 C1 Ryd(3p) 0.006344281 - 0.900322454
12 C1 Ryd(4p) 0.000114970 - 0.965391372
13 C1 Ryd(5p) 0.000061568 - 2.171982744
14 C1 Val(2p) 1.171548063 - -0.150501579
15 C1 Ryd(3p) 0.000942618 - 0.902034856
16 C1 Ryd(4p) 0.000538021 - 0.908263029
17 C1 Ryd(5p) 0.000069978 - 2.083277640
18 C1 Ryd(3d) 0.001614219 - 2.223591463
19 C1 Ryd(4d) 0.000148373 - 3.004812001
20 C1 Ryd(3d) 0.002145055 - 1.956066133
21 C1 Ryd(4d) 0.000113230 - 2.750634560
22 C1 Ryd(3d) 0.001308864 - 1.728493981
23 C1 Ryd(4d) 0.000075220 - 2.484170716
24 C1 Ryd(3d) 0.001545174 - 2.173759648
25 C1 Ryd(4d) 0.000158630 - 2.958029104
26 C1 Ryd(3d) 0.002071623 - 2.170982339
27 C1 Ryd(4d) 0.000071185 - 3.095310950
28 O2 Cor(1S) 1.999737399 - -18.982601669
29 O2 Val(2S) 1.617098332 - -0.913229710
30 O2 Ryd(4S) 0.002340349 - 1.662896972
31 O2 Ryd(3S) 0.000030029 - 1.188638765
32 O2 Ryd(5S) 0.000000601 - 49.399861574
33 O2 Val(2p) 1.347283352 - -0.329011430
34 O2 Ryd(4p) 0.001531809 - 1.195950451
35 O2 Ryd(3p) 0.000642003 - 0.999393859
36 O2 Ryd(5p) 0.000031424 - 4.928835305
37 O2 Val(2p) 1.700020640 - -0.367496204
38 O2 Ryd(3p) 0.002349016 - 0.767960492
39 O2 Ryd(4p) 0.000876173 - 0.832922883
40 O2 Ryd(5p) 0.000073269 - 5.065682937
41 O2 Val(2p) 1.853402971 - -0.345125508
42 O2 Ryd(3p) 0.001616293 - 0.597172554
43 O2 Ryd(4p) 0.000666608 - 0.718890742
44 O2 Ryd(5p) 0.000006436 - 4.937437976
45 O2 Ryd(3d) 0.004689810 - 2.311561146
46 O2 Ryd(4d) 0.000042066 - 7.157723132
47 O2 Ryd(3d) 0.000134996 - 1.758610606
48 O2 Ryd(4d) 0.000053400 - 6.912459985
49 O2 Ryd(3d) 0.003412848 - 1.719477365
50 O2 Ryd(4d) 0.000027492 - 6.879160385
51 O2 Ryd(3d) 0.002334215 - 2.011426809
52 O2 Ryd(4d) 0.000073052 - 7.075085852
53 O2 Ryd(3d) 0.002692017 - 1.809998674
54 O2 Ryd(4d) 0.000010528 - 6.899619401
55 C3 Cor(1S) 1.998654782 - -10.118702888
56 C3 Val(2S) 0.825751534 - -0.153523140
57 C3 Ryd(3S) 0.000787251 - 1.756111639
58 C3 Ryd(4S) 0.000062777 - 6.278748921
59 C3 Ryd(5S) 0.000018380 - 14.406931653
60 C3 Val(2p) 0.953383112 - -0.077071541
61 C3 Ryd(4p) 0.003307696 - 1.515398608
62 C3 Ryd(3p) 0.000230950 - 0.883132475
63 C3 Ryd(5p) 0.000212197 - 2.932056280
64 C3 Val(2p) 0.909562365 - -0.080725309
65 C3 Ryd(4p) 0.008194665 - 1.317193808
66 C3 Ryd(3p) 0.000092358 - 0.847936351
67 C3 Ryd(5p) 0.000190132 - 2.998972468
68 C3 Val(2p) 1.022725975 - -0.146833550
69 C3 Ryd(4p) 0.000590837 - 0.637139595
70 C3 Ryd(3p) 0.000411558 - 0.607166114
71 C3 Ryd(5p) 0.000020431 - 2.541609325
72 C3 Ryd(3d) 0.000961457 - 2.401846520
73 C3 Ryd(4d) 0.000891186 - 3.800098756
74 C3 Ryd(3d) 0.001408337 - 1.549675510
75 C3 Ryd(4d) 0.000143001 - 3.087430463
76 C3 Ryd(3d) 0.001105618 - 1.514055056
77 C3 Ryd(4d) 0.000126425 - 2.994849513
78 C3 Ryd(3d) 0.001202760 - 2.646082677
79 C3 Ryd(4d) 0.000393793 - 3.843853221
80 C3 Ryd(3d) 0.001365206 - 2.319823413
81 C3 Ryd(4d) 0.000223726 - 3.453891895
82 C4 Cor(1S) 1.998681974 - -10.125087625
83 C4 Val(2S) 0.829332305 - -0.159646802
84 C4 Ryd(3S) 0.000924619 - 1.554180999
85 C4 Ryd(4S) 0.000078886 - 4.719888418
86 C4 Ryd(5S) 0.000017649 - 16.304857060
87 C4 Val(2p) 0.762204711 - -0.064262537
88 C4 Ryd(4p) 0.006690629 - 1.245632866
89 C4 Ryd(3p) 0.000156232 - 0.821391563
90 C4 Ryd(5p) 0.000098155 - 3.265399487
91 C4 Val(2p) 1.099515847 - -0.097831395
92 C4 Ryd(4p) 0.005112761 - 1.508607367
93 C4 Ryd(3p) 0.000178255 - 0.708394904
94 C4 Ryd(5p) 0.000261001 - 2.812293648
95 C4 Val(2p) 0.987267435 - -0.149383768
96 C4 Ryd(4p) 0.000577626 - 0.632132521
97 C4 Ryd(3p) 0.000332303 - 0.531257029
98 C4 Ryd(5p) 0.000026036 - 2.602447883
99 C4 Ryd(3d) 0.001143501 - 2.593485051
100 C4 Ryd(4d) 0.000398414 - 3.822758348
101 C4 Ryd(3d) 0.002029090 - 1.571760069
102 C4 Ryd(4d) 0.000141910 - 3.013283864
103 C4 Ryd(3d) 0.000526858 - 1.504818161
104 C4 Ryd(4d) 0.000147720 - 3.031947201
105 C4 Ryd(3d) 0.001151865 - 2.373325360
106 C4 Ryd(4d) 0.000844266 - 3.790062628
107 C4 Ryd(3d) 0.001411128 - 2.340037512
108 C4 Ryd(4d) 0.000249574 - 3.446290242
109 C5 Cor(1S) 1.999044292 - -10.052680159
110 C5 Val(2S) 0.944562328 - -0.185411613
111 C5 Ryd(4S) 0.001726997 - 1.330118380
112 C5 Ryd(3S) 0.000064340 - 1.077227469
113 C5 Ryd(5S) 0.000012694 - 21.108772683
114 C5 Val(2p) 1.079890085 - -0.080536163
115 C5 Ryd(4p) 0.004733065 - 0.989817040
116 C5 Ryd(3p) 0.000283589 - 0.704036182
117 C5 Ryd(5p) 0.000148777 - 3.188591023
118 C5 Val(2p) 1.163297208 - -0.087290131
119 C5 Ryd(4p) 0.004957344 - 1.292325660
120 C5 Ryd(3p) 0.000205706 - 0.656859158
121 C5 Ryd(5p) 0.000119795 - 3.120844212
122 C5 Val(2p) 1.050405443 - -0.135034199
123 C5 Ryd(4p) 0.001368118 - 0.522821013
124 C5 Ryd(3p) 0.000454266 - 0.399285409
125 C5 Ryd(5p) 0.000031651 - 2.679188975
126 C5 Ryd(3d) 0.000964753 - 2.206662374
127 C5 Ryd(4d) 0.000601113 - 3.669475511
128 C5 Ryd(3d) 0.000150843 - 1.327725630
129 C5 Ryd(4d) 0.000176390 - 3.098802184
130 C5 Ryd(3d) 0.000803208 - 1.271185917
131 C5 Ryd(4d) 0.000051778 - 3.053345854
132 C5 Ryd(3d) 0.000502598 - 2.057553717
133 C5 Ryd(4d) 0.000508076 - 3.646900917
134 C5 Ryd(3d) 0.001531872 - 1.888105806
135 C5 Ryd(4d) 0.000038917 - 3.363328954
136 C6 Cor(1S) 1.999107030 - -10.054182665
137 C6 Val(2S) 0.939839808 - -0.182459773
138 C6 Ryd(3S) 0.000745490 - 1.555232387
139 C6 Ryd(4S) 0.000084815 - 1.784400166
140 C6 Ryd(5S) 0.000015281 - 20.353502042
141 C6 Val(2p) 1.093726779 - -0.070944335
142 C6 Ryd(4p) 0.005018684 - 1.029457510
143 C6 Ryd(3p) 0.000333667 - 0.521137018
144 C6 Ryd(5p) 0.000129991 - 3.516552622
145 C6 Val(2p) 1.124783205 - -0.070993209
146 C6 Ryd(4p) 0.004753577 - 0.940414632
147 C6 Ryd(3p) 0.000378319 - 0.671843525
148 C6 Ryd(5p) 0.000103903 - 3.438052160
149 C6 Val(2p) 0.982705686 - -0.130814833
150 C6 Ryd(4p) 0.001032832 - 0.492884926
151 C6 Ryd(3p) 0.000502801 - 0.314310239
152 C6 Ryd(5p) 0.000022358 - 2.777076645
153 C6 Ryd(3d) 0.000758408 - 2.127738892
154 C6 Ryd(4d) 0.000809337 - 3.689335101
155 C6 Ryd(3d) 0.000550943 - 1.313034153
156 C6 Ryd(4d) 0.000122960 - 3.062852902
157 C6 Ryd(3d) 0.000298922 - 1.305283967
158 C6 Ryd(4d) 0.000099182 - 3.061467493
159 C6 Ryd(3d) 0.000818192 - 2.037674961
160 C6 Ryd(4d) 0.000321205 - 3.599959059
161 C6 Ryd(3d) 0.001404516 - 1.766320841
162 C6 Ryd(4d) 0.000065327 - 3.355128442
163 C7 Cor(1S) 1.998990037 - -10.053580692
164 C7 Val(2S) 0.913501406 - -0.164526424
165 C7 Ryd(3S) 0.001204599 - 0.990861921
166 C7 Ryd(4S) 0.000048400 - 3.926431026
167 C7 Ryd(5S) 0.000015048 - 18.907266849
168 C7 Val(2p) 1.086617453 - -0.086164344
169 C7 Ryd(4p) 0.005649866 - 1.443802507
170 C7 Ryd(3p) 0.000097262 - 0.717585484
171 C7 Ryd(5p) 0.000128443 - 3.445913638
172 C7 Val(2p) 1.091098396 - -0.076521044
173 C7 Ryd(4p) 0.005040851 - 1.291385370
174 C7 Ryd(3p) 0.000263814 - 0.590732534
175 C7 Ryd(5p) 0.000132141 - 3.547844580
176 C7 Val(2p) 1.063079604 - -0.124993644
177 C7 Ryd(4p) 0.000685189 - 0.584834530
178 C7 Ryd(3p) 0.000282064 - 0.374609151
179 C7 Ryd(5p) 0.000023162 - 2.743958628
180 C7 Ryd(3d) 0.000689941 - 1.961764891
181 C7 Ryd(4d) 0.000749397 - 3.733906024
182 C7 Ryd(3d) 0.000444908 - 1.055665319
183 C7 Ryd(4d) 0.000167452 - 3.323589341
184 C7 Ryd(3d) 0.000312343 - 1.131403354
185 C7 Ryd(4d) 0.000226209 - 3.336922360
186 C7 Ryd(3d) 0.000834401 - 2.095153054
187 C7 Ryd(4d) 0.000782728 - 3.720360256
188 C7 Ryd(3d) 0.001155766 - 1.623016749
189 C7 Ryd(4d) 0.000032642 - 3.513113681
190 C8 Cor(1S) 1.998946477 - -10.046611540
191 C8 Val(2S) 0.939796040 - -0.171839753
192 C8 Ryd(3S) 0.001502634 - 1.493543510
193 C8 Ryd(4S) 0.000047084 - 1.713174491
194 C8 Ryd(5S) 0.000018600 - 20.554814481
195 C8 Val(2p) 1.061486264 - -0.070390729
196 C8 Ryd(4p) 0.005108276 - 1.087323371
197 C8 Ryd(3p) 0.000248222 - 0.820907852
198 C8 Ryd(5p) 0.000180258 - 3.358034106
199 C8 Val(2p) 1.186734991 - -0.080795884
200 C8 Ryd(4p) 0.004963541 - 1.259739441
201 C8 Ryd(3p) 0.000295984 - 0.584317931
202 C8 Ryd(5p) 0.000099655 - 3.297220678
203 C8 Val(2p) 0.996398462 - -0.126554018
204 C8 Ryd(4p) 0.001104414 - 0.539889690
205 C8 Ryd(3p) 0.000486212 - 0.378625852
206 C8 Ryd(5p) 0.000015118 - 2.758506681
207 C8 Ryd(3d) 0.000678215 - 2.131786743
208 C8 Ryd(4d) 0.000444944 - 3.724937866
209 C8 Ryd(3d) 0.000523758 - 1.330129062
210 C8 Ryd(4d) 0.000118118 - 3.139282904
211 C8 Ryd(3d) 0.000616626 - 1.250666894
212 C8 Ryd(4d) 0.000096945 - 3.072741028
213 C8 Ryd(3d) 0.000972284 - 2.282193602
214 C8 Ryd(4d) 0.000590830 - 3.762227023
215 C8 Ryd(3d) 0.001571144 - 1.897401566
216 C8 Ryd(4d) 0.000035061 - 3.402407613
217 H9 Val(1S) 0.753631854 - 0.047072256
218 H9 Ryd(2S) 0.001494087 - 1.367787681
219 H9 Ryd(3S) 0.000168063 - 1.595139946
220 H9 Ryd(2p) 0.000109944 - 2.670484412
221 H9 Ryd(2p) 0.000390753 - 2.885352361
222 H9 Ryd(2p) 0.000217722 - 1.979490395
223 C10 Cor(1S) 1.999349249 - -10.134370410
224 C10 Val(2S) 0.907747738 - -0.190707971
225 C10 Ryd(3S) 0.008936802 - 0.846154564
226 C10 Ryd(4S) 0.000126794 - 1.757746964
227 C10 Ryd(5S) 0.000033002 - 21.322037598
228 C10 Val(2p) 0.988311947 - -0.047065966
229 C10 Ryd(4p) 0.005415424 - 1.139279176
230 C10 Ryd(3p) 0.000466474 - 0.726884959
231 C10 Ryd(5p) 0.000171198 - 2.105718699
232 C10 Val(2p) 0.914068316 - -0.040725857
233 C10 Ryd(4p) 0.011672420 - 1.328182270
234 C10 Ryd(3p) 0.000369855 - 0.898190556
235 C10 Ryd(5p) 0.000192472 - 2.404661394
236 C10 Val(2p) 0.733685634 - -0.124479439
237 C10 Ryd(4p) 0.000977390 - 0.713730666
238 C10 Ryd(3p) 0.000727206 - 0.540195007
239 C10 Ryd(5p) 0.000081692 - 2.204851137
240 C10 Ryd(4d) 0.001323496 - 3.523941148
241 C10 Ryd(3d) 0.000080716 - 3.024814611
242 C10 Ryd(4d) 0.000615870 - 2.703573912
243 C10 Ryd(3d) 0.000144157 - 2.068216528
244 C10 Ryd(4d) 0.000745431 - 2.876212829
245 C10 Ryd(3d) 0.000052939 - 2.084297332
246 C10 Ryd(4d) 0.001669186 - 3.386964788
247 C10 Ryd(3d) 0.000048202 - 2.904564070
248 C10 Ryd(4d) 0.000271288 - 2.974699175
249 C10 Ryd(3d) 0.000112647 - 2.693255338
250 O11 Cor(1S) 1.999766773 - -18.860110897
251 O11 Val(2S) 1.701258882 - -0.892749401
252 O11 Ryd(3S) 0.001824274 - 1.132132244
253 O11 Ryd(4S) 0.000205379 - 1.524459769
254 O11 Ryd(5S) 0.000000295 - 49.536121223
255 O11 Val(2p) 1.818055658 - -0.274934321
256 O11 Ryd(3p) 0.003893709 - 0.775694062
257 O11 Ryd(4p) 0.000042959 - 1.186701783
258 O11 Ryd(5p) 0.000021576 - 4.998437032
259 O11 Val(2p) 1.633744885 - -0.296653722
260 O11 Ryd(3p) 0.001125123 - 0.676926441
261 O11 Ryd(4p) 0.000155438 - 1.351034847
262 O11 Ryd(5p) 0.000071803 - 5.109095684
263 O11 Val(2p) 1.370081553 - -0.252934957
264 O11 Ryd(3p) 0.000988247 - 0.520992400
265 O11 Ryd(4p) 0.000015242 - 1.090201846
266 O11 Ryd(5p) 0.000015391 - 4.774921409
267 O11 Ryd(3d) 0.005670795 - 1.982426516
268 O11 Ryd(4d) 0.000039872 - 6.998799728
269 O11 Ryd(3d) 0.000993711 - 1.508998215
270 O11 Ryd(4d) 0.000001885 - 6.745624358
271 O11 Ryd(3d) 0.004022152 - 1.575331333
272 O11 Ryd(4d) 0.000030639 - 6.826596192
273 O11 Ryd(3d) 0.005509742 - 1.846351034
274 O11 Ryd(4d) 0.000079139 - 6.971450760
275 O11 Ryd(3d) 0.002044819 - 1.731973752
276 O11 Ryd(4d) 0.000007171 - 6.862171690
277 H12 Val(1S) 0.890761131 - -0.026708109
278 H12 Ryd(2S) 0.002473019 - 0.511886645
279 H12 Ryd(3S) 0.000130934 - 2.177421879
280 H12 Ryd(2p) 0.000386098 - 2.339578060
281 H12 Ryd(2p) 0.000381776 - 2.643475537
282 H12 Ryd(2p) 0.000078722 - 1.701264556
283 H13 Val(1S) 0.786789568 - 0.030400285
284 H13 Ryd(2S) 0.000970610 - 1.429095898
285 H13 Ryd(3S) 0.000163861 - 1.601977130
286 H13 Ryd(2p) 0.000182945 - 2.721853450
287 H13 Ryd(2p) 0.000274298 - 2.777053754
288 H13 Ryd(2p) 0.000213986 - 1.908273893
289 H14 Val(1S) 0.772605817 - 0.026829616
290 H14 Ryd(2S) 0.000856629 - 1.276023302
291 H14 Ryd(3S) 0.000167519 - 1.691248432
292 H14 Ryd(2p) 0.000092545 - 2.632514109
293 H14 Ryd(2p) 0.000376482 - 2.854339823
294 H14 Ryd(2p) 0.000228003 - 1.954816984
295 O15 Cor(1S) 1.999734896 - -18.987055013
296 O15 Val(2S) 1.617431116 - -0.918806749
297 O15 Ryd(4S) 0.002251063 - 1.769140667
298 O15 Ryd(3S) 0.000028680 - 1.105356682
299 O15 Ryd(5S) 0.000000598 - 49.375933097
300 O15 Val(2p) 1.496975936 - -0.353921433
301 O15 Ryd(3p) 0.001923203 - 0.829332394
302 O15 Ryd(4p) 0.000746699 - 0.862098945
303 O15 Ryd(5p) 0.000057909 - 5.002054132
304 O15 Val(2p) 1.559507247 - -0.353886673
305 O15 Ryd(3p) 0.002365778 - 1.009772704
306 O15 Ryd(4p) 0.000770575 - 1.044856754
307 O15 Ryd(5p) 0.000032471 - 4.999786413
308 O15 Val(2p) 1.838433076 - -0.349648160
309 O15 Ryd(3p) 0.001461411 - 0.536273629
310 O15 Ryd(4p) 0.000729587 - 0.772796873
311 O15 Ryd(5p) 0.000006895 - 4.929071834
312 O15 Ryd(3d) 0.002322895 - 2.024007336
313 O15 Ryd(4d) 0.000080006 - 7.074073804
314 O15 Ryd(3d) 0.001768757 - 1.751853037
315 O15 Ryd(4d) 0.000041531 - 6.899467813
316 O15 Ryd(3d) 0.001755766 - 1.713465321
317 O15 Ryd(4d) 0.000035576 - 6.880401625
318 O15 Ryd(3d) 0.004721905 - 2.290495341
319 O15 Ryd(4d) 0.000037300 - 7.151046430
320 O15 Ryd(3d) 0.002665814 - 1.812372801
321 O15 Ryd(4d) 0.000010437 - 6.895738016
322 H16 Val(1S) 0.839692721 - -0.032628715
323 H16 Ryd(2S) 0.001338989 - 0.611649855
324 H16 Ryd(3S) 0.000173092 - 2.183166801
325 H16 Ryd(2p) 0.000156059 - 2.302647647
326 H16 Ryd(2p) 0.000063984 - 2.183921267
327 H16 Ryd(2p) 0.000344858 - 2.658671923
328 H17 Val(1S) 0.828883504 - -0.028828730
329 H17 Ryd(2S) 0.000913469 - 0.519764638
330 H17 Ryd(3S) 0.000167576 - 2.247855358
331 H17 Ryd(2p) 0.000243743 - 2.543376323
332 H17 Ryd(2p) 0.000070299 - 2.224410308
333 H17 Ryd(2p) 0.000241238 - 2.434762967

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(O2) 1s(22.43%)p3.45(77.35%)d0.01(0.21%) 0.653599448 - -0.124001159
2 BD(1)O2(C1) 2s(25.54%)p2.90(74.17%)d0.01(0.29%) 1.362152564 - -0.487378349
3 BD(1)C1(O15) 1s(21.97%)p3.54(77.81%)d0.01(0.22%) 0.648844242 - -0.126425634
4 BD(1)O15(C1) 15s(25.23%)p2.95(74.49%)d0.01(0.28%) 1.369560266 - -0.490530679
5 BD(1)C1(H16) 1s(27.78%)p2.60(72.10%)d0.00(0.12%) 1.185527278 - -0.203819969
6 BD(1)H16(C1) 16s(99.96%)p0.00(0.04%) 0.840027497 - -0.029125775
7 BD(1)C1(H17) 1s(27.89%)p2.58(71.99%)d0.00(0.11%) 1.187876413 - -0.203256486
8 BD(1)H17(C1) 17s(99.96%)p0.00(0.04%) 0.829244915 - -0.026078288
9 BD(1)O2(C3) 2s(31.88%)p2.13(67.88%)d0.01(0.24%) 1.349026775 - -0.506396518
10 BD(1)C3(O2) 3s(23.69%)p3.21(76.17%)d0.01(0.14%) 0.667371274 - -0.087108320
11 BD(1)C3(C4) 3s(34.12%)p1.93(65.79%)d0.00(0.09%) 1.005481950 - -0.104423376
12 BD(1)C4(C3) 4s(34.50%)p1.90(65.41%)d0.00(0.09%) 1.008756835 - -0.106679881
13 BD(1)C3(C8) 3s(41.86%)p1.39(58.09%)d0.00(0.05%) 1.021912966 - -0.104799062
14 BD(1)C8(C3) 8s(34.57%)p1.89(65.30%)d0.00(0.13%) 0.971573560 - -0.070848341
15 BD(2)C3(C8) 3s(0.00%)p1.00(99.94%)d0.00(0.06%) 1.023705749 - -0.147013844
16 BD(2)C8(C3) 8s(0.00%)p1.00(99.92%)d0.00(0.08%) 0.997568634 - -0.126847994
17 BD(1)C4(C5) 4s(41.38%)p1.42(58.57%)d0.00(0.05%) 1.023330754 - -0.113659981
18 BD(1)C5(C4) 5s(33.99%)p1.94(65.88%)d0.00(0.14%) 0.971893974 - -0.080137617
19 BD(2)C4(C5) 4s(0.00%)p1.00(99.95%)d0.00(0.05%) 0.987979443 - -0.149346089
20 BD(2)C5(C4) 5s(0.00%)p1.00(99.93%)d0.00(0.07%) 1.051744009 - -0.135981964
21 BD(1)C4(O15) 4s(23.79%)p3.20(76.06%)d0.01(0.14%) 0.665156710 - -0.086473274
22 BD(1)O15(C4) 15s(32.56%)p2.06(67.20%)d0.01(0.24%) 1.350401173 - -0.516006225
23 BD(1)C5(C6) 5s(36.02%)p1.77(63.87%)d0.00(0.11%) 1.003919715 - -0.087380318
24 BD(1)C6(C5) 6s(35.31%)p1.83(64.57%)d0.00(0.12%) 0.980242408 - -0.085870638
25 BD(1)C5(H14) 5s(29.87%)p2.35(70.09%)d0.00(0.04%) 1.218983641 - -0.166695761
26 BD(1)H14(C5) 14s(99.95%)p0.00(0.05%) 0.772988991 - 0.029413965
27 BD(1)C6(C7) 6s(36.04%)p1.77(63.85%)d0.00(0.11%) 0.979457635 - -0.070686223
28 BD(1)C7(C6) 7s(35.15%)p1.84(64.77%)d0.00(0.08%) 1.016365392 - -0.089264718
29 BD(2)C6(C7) 6s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.983600849 - -0.131356739
30 BD(2)C7(C6) 7s(0.00%)p1.00(99.98%)d0.00(0.02%) 1.063490686 - -0.125072587
31 BD(1)C6(H13) 6s(28.50%)p2.51(71.46%)d0.00(0.04%) 1.204557720 - -0.150500926
32 BD(1)H13(C6) 13s(99.96%)p0.00(0.04%) 0.787144731 - 0.033333417
33 BD(1)C7(C8) 7s(34.04%)p1.94(65.89%)d0.00(0.07%) 1.003333917 - -0.091741677
34 BD(1)C8(C7) 8s(34.97%)p1.86(64.91%)d0.00(0.11%) 0.985485735 - -0.071414808
35 BD(1)C7(C10) 7s(30.70%)p2.26(69.25%)d0.00(0.05%) 1.074403736 - -0.135350972
36 BD(1)C10(C7) 10s(37.99%)p1.63(61.96%)d0.00(0.05%) 0.963956620 - -0.094264670
37 BD(1)C8(H9) 8s(30.31%)p2.30(69.65%)d0.00(0.04%) 1.236861752 - -0.162240914
38 BD(1)H9(C8) 9s(99.95%)p0.00(0.05%) 0.753997472 - 0.050495338
39 BD(1)C10(O11) 10s(32.29%)p2.09(67.60%)d0.00(0.11%) 0.696301330 - 0.019680414
40 BD(1)O11(C10) 11s(41.55%)p1.39(57.96%)d0.01(0.50%) 1.303223191 - -0.491491060
41 BD(2)C10(O11) 10s(0.00%)p1.00(99.87%)d0.00(0.13%) 0.735337979 - -0.125073681
42 BD(2)O11(C10) 11s(0.00%)p1.00(99.65%)d0.00(0.35%) 1.375102057 - -0.254942161
43 BD(1)C10(H12) 10s(30.04%)p2.33(69.91%)d0.00(0.06%) 1.161662786 - -0.165926943
44 BD(1)H12(C10) 12s(99.94%)p0.00(0.06%) 0.891273314 - -0.021047783
45 CR(1)C1 s(100.00%)p0.00(0.00%) 1.999291607 - -10.201286751
46 CR(1)O2 s(100.00%) 1.999737392 - -18.983173387
47 CR(1)C3 s(100.00%)p0.00(0.00%) 1.998660533 - -10.118949380
48 CR(1)C4 s(100.00%)p0.00(0.00%) 1.998687676 - -10.125337612
49 CR(1)C5 s(100.00%)p0.00(0.00%) 1.999046168 - -10.052966111
50 CR(1)C6 s(100.00%)p0.00(0.00%) 1.999109376 - -10.054386077
51 CR(1)C7 s(100.00%) 1.998991192 - -10.053601439
52 CR(1)C8 s(100.00%)p0.00(0.00%) 1.998948141 - -10.046904646
53 CR(1)C10 s(100.00%)p0.00(0.00%) 1.999350567 - -10.134354783
54 CR(1)O11 s(100.00%)p0.00(0.00%) 1.999765437 - -18.861227918
55 CR(1)O15 s(100.00%) 1.999734934 - -18.987647831
56 LP(1)O2 s(42.54%)p1.35(57.34%)d0.00(0.12%) 1.963080230 - -0.616247221
57 LP(2)O2 s(0.04%)p99.99(99.78%)d4.28(0.18%) 1.859952380 - -0.347314157
58 LP(1)O11 s(58.46%)p0.71(41.45%)d0.00(0.09%) 1.985001380 - -0.699033296
59 LP(2)O11 s(0.03%)p99.99(99.71%)d9.70(0.26%) 1.880289917 - -0.270566468
60 LP(1)O15 s(42.16%)p1.37(57.72%)d0.00(0.12%) 1.964577719 - -0.620065118
61 LP(2)O15 s(0.05%)p99.99(99.77%)d3.40(0.18%) 1.844129913 - -0.351970225
62 RY*(1)C1 s(0.01%)p1.00(91.50%)d0.09(8.49%) 0.005324144 - 0.877427674
63 RY*(2)C1 s(24.88%)p1.93(47.93%)d1.09(27.19%) 0.002814382 - 1.051287842
64 RY*(3)C1 s(0.65%)p37.75(24.36%)d99.99(75.00%) 0.001829573 - 1.551899414
65 RY*(4)C1 s(0.00%)p1.00(0.85%)d99.99(99.14%) 0.001236165 - 1.343869625
66 RY*(5)C1 s(6.83%)p9.96(67.99%)d3.69(25.18%) 0.000809801 - 0.971758314
67 RY*(6)C1 s(42.16%)p0.49(20.72%)d0.88(37.12%) 0.000506159 - 1.643816361
68 RY*(7)C1 s(2.17%)p10.18(22.10%)d34.87(75.72%) 0.000315700 - 2.278172988
69 RY*(8)C1 s(9.33%)p5.16(48.17%)d4.56(42.51%) 0.000300670 - 1.823754474
70 RY*(9)C1 s(0.11%)p99.99(19.72%)d99.99(80.17%) 0.000034109 - 2.513354527
71 RY*(10)C1 s(16.78%)p0.32(5.42%)d4.64(77.81%) 0.000033078 - 2.879497738
72 RY*(11)C1 s(88.76%)p0.03(2.43%)d0.10(8.81%) 0.000008376 - 1.063095499
73 RY*(12)C1 s(1.34%)p62.06(83.00%)d11.71(15.66%) 0.000014815 - 1.179469588
74 RY*(13)C1 s(3.00%)p30.63(91.93%)d1.69(5.07%) 0.000008122 - 0.980149756
75 RY*(14)C1 s(1.91%)p2.24(4.28%)d49.02(93.81%) 0.000004646 - 2.659091171
76 RY*(15)C1 s(2.35%)p38.46(90.50%)d3.04(7.15%) 0.000005466 - 2.118124123
77 RY*(16)C1 s(0.38%)p24.97(9.52%)d99.99(90.10%) 0.000001885 - 2.950668855
78 RY*(17)C1 s(92.72%)p0.02(1.41%)d0.06(5.86%) 0.000000888 - 21.729694826
79 RY*(18)C1 s(0.19%)p99.99(80.56%)d99.99(19.25%) 0.000003343 - 0.794972406
80 RY*(19)C1 s(0.51%)p99.99(85.99%)d26.74(13.50%) 0.000008097 - 2.500856833
81 RY*(20)C1 s(3.50%)p1.82(6.35%)d25.76(90.15%) 0.000002993 - 2.884664264
82 RY*(21)C1 s(1.27%)p75.14(95.31%)d2.70(3.42%) 0.000000561 - 2.598406545
83 RY*(22)C1 s(1.08%)p0.63(0.68%)d90.68(98.24%) 0.000001834 - 2.912196279
84 RY*(1)O2 s(0.16%)p99.99(98.18%)d10.16(1.66%) 0.002332650 - 0.975812324
85 RY*(2)O2 s(24.45%)p2.98(72.97%)d0.11(2.58%) 0.002259691 - 0.897219792
86 RY*(3)O2 s(50.82%)p0.76(38.38%)d0.21(10.80%) 0.000842350 - 1.829017160
87 RY*(4)O2 s(2.06%)p42.11(86.75%)d5.43(11.19%) 0.000641896 - 1.101242360
88 RY*(5)O2 s(0.81%)p99.99(86.14%)d16.20(13.05%) 0.000463258 - 1.050284074
89 RY*(6)O2 s(5.28%)p11.27(59.58%)d6.65(35.14%) 0.000187851 - 1.696658149
90 RY*(7)O2 s(0.25%)p99.99(42.94%)d99.99(56.82%) 0.000196112 - 1.553304350
91 RY*(8)O2 s(3.34%)p5.85(19.54%)d23.08(77.11%) 0.000103118 - 3.243605591
92 RY*(9)O2 s(10.48%)p2.37(24.84%)d6.17(64.68%) 0.000063312 - 2.017945878
93 RY*(10)O2 s(7.53%)p11.90(89.67%)d0.37(2.80%) 0.000040621 - 4.801410649
94 RY*(11)O2 s(3.02%)p6.87(20.77%)d25.21(76.20%) 0.000031751 - 3.014799884
95 RY*(12)O2 s(0.14%)p99.99(14.56%)d99.99(85.30%) 0.000033282 - 2.024394896
96 RY*(13)O2 s(0.01%)p1.00(93.07%)d0.07(6.92%) 0.000006695 - 4.728035388
97 RY*(14)O2 s(1.22%)p3.35(4.09%)d77.56(94.68%) 0.000002899 - 6.438691388
98 RY*(15)O2 s(99.60%)p0.00(0.34%)d0.00(0.05%) 0.000000109 - 49.362242841
99 RY*(16)O2 s(0.16%)p2.62(0.42%)d99.99(99.42%) 0.000007386 - 4.620706260
100 RY*(17)O2 s(0.14%)p99.99(33.52%)d99.99(66.35%) 0.000005955 - 1.494812145
101 RY*(18)O2 s(0.02%)p99.99(2.05%)d99.99(97.93%) 0.000000585 - 6.741506227
102 RY*(19)O2 s(90.47%)p0.08(7.61%)d0.02(1.92%) 0.000006654 - 1.374811845
103 RY*(20)O2 s(0.03%)p99.99(4.96%)d99.99(95.01%) 0.000000882 - 6.223706274
104 RY*(21)O2 s(0.01%)p99.99(99.76%)d17.81(0.23%) 0.000000082 - 4.909199937
105 RY*(22)O2 s(0.00%)p1.00(0.69%)d99.99(99.31%) 0.000000646 - 6.734405564
106 RY*(1)C3 s(0.58%)p99.99(95.66%)d6.50(3.76%) 0.005075139 - 1.194862905
107 RY*(2)C3 s(0.72%)p99.99(79.45%)d27.61(19.83%) 0.003195914 - 1.944197751
108 RY*(3)C3 s(0.03%)p99.99(8.59%)d99.99(91.38%) 0.002074668 - 1.576144335
109 RY*(4)C3 s(14.44%)p1.14(16.43%)d4.79(69.13%) 0.001846293 - 1.875519400
110 RY*(5)C3 s(21.81%)p0.17(3.68%)d3.42(74.51%) 0.000700993 - 2.153698527
111 RY*(6)C3 s(0.12%)p99.99(34.37%)d99.99(65.51%) 0.000586557 - 1.588030889
112 RY*(7)C3 s(0.18%)p99.99(49.35%)d99.99(50.47%) 0.000359488 - 3.013020840
113 RY*(8)C3 s(1.04%)p54.26(56.37%)d40.99(42.59%) 0.000313346 - 1.854481305
114 RY*(9)C3 s(40.00%)p0.07(2.97%)d1.43(57.02%) 0.000217422 - 2.256393889
115 RY*(10)C3 s(18.41%)p1.40(25.72%)d3.04(55.88%) 0.000187042 - 2.745996942
116 RY*(11)C3 s(42.08%)p0.82(34.57%)d0.56(23.35%) 0.000088495 - 5.376904190
117 RY*(12)C3 s(0.05%)p99.99(9.67%)d99.99(90.28%) 0.000082134 - 2.737023169
118 RY*(13)C3 s(0.85%)p33.62(28.47%)d83.47(70.68%) 0.000054931 - 2.903246527
119 RY*(14)C3 s(6.50%)p8.67(56.39%)d5.71(37.11%) 0.000032173 - 3.695266111
120 RY*(15)C3 s(3.14%)p25.19(79.00%)d5.70(17.86%) 0.000034665 - 1.503839904
121 RY*(16)C3 s(0.14%)p99.99(90.55%)d67.06(9.31%) 0.000002182 - 0.709321087
122 RY*(17)C3 s(0.02%)p99.99(96.61%)d99.99(3.37%) 0.000000630 - 2.637701427
123 RY*(18)C3 s(0.20%)p96.73(19.81%)d99.99(79.98%) 0.000003297 - 2.062616625
124 RY*(19)C3 s(1.55%)p50.49(78.42%)d12.89(20.03%) 0.000007175 - 1.377544109
125 RY*(20)C3 s(55.71%)p0.52(28.96%)d0.28(15.33%) 0.000010314 - 4.765820114
126 RY*(21)C3 s(92.54%)p0.04(3.94%)d0.04(3.51%) 0.000008837 - 12.793965671
127 RY*(22)C3 s(0.21%)p4.80(1.02%)d99.99(98.76%) 0.000004342 - 3.553846099
128 RY*(1)C4 s(0.46%)p99.99(96.40%)d6.85(3.14%) 0.005378349 - 1.171884966
129 RY*(2)C4 s(0.69%)p99.99(72.90%)d38.00(26.41%) 0.003313129 - 1.863516999
130 RY*(3)C4 s(0.14%)p55.65(7.80%)d99.99(92.06%) 0.002136316 - 1.574456901
131 RY*(4)C4 s(17.58%)p1.31(23.11%)d3.37(59.32%) 0.001880057 - 1.714670208
132 RY*(5)C4 s(24.41%)p0.14(3.45%)d2.96(72.14%) 0.000827588 - 2.158398914
133 RY*(6)C4 s(0.60%)p9.24(5.53%)d99.99(93.88%) 0.000568603 - 2.196719027
134 RY*(7)C4 s(0.47%)p99.99(75.60%)d51.44(23.93%) 0.000410182 - 1.385241705
135 RY*(8)C4 s(1.46%)p34.63(50.70%)d32.68(47.84%) 0.000338984 - 2.909933459
136 RY*(9)C4 s(49.92%)p0.10(4.85%)d0.91(45.23%) 0.000218125 - 1.893386706
137 RY*(10)C4 s(2.53%)p10.90(27.53%)d27.70(69.95%) 0.000192503 - 3.126930874
138 RY*(11)C4 s(39.59%)p0.80(31.62%)d0.73(28.79%) 0.000087719 - 4.626909276
139 RY*(12)C4 s(0.08%)p99.99(14.28%)d99.99(85.64%) 0.000094468 - 2.507287161
140 RY*(13)C4 s(6.39%)p6.14(39.23%)d8.51(54.38%) 0.000047248 - 3.294353210
141 RY*(14)C4 s(10.37%)p7.17(74.33%)d1.48(15.30%) 0.000038636 - 3.023970961
142 RY*(15)C4 s(1.85%)p22.83(42.15%)d30.33(56.00%) 0.000026608 - 2.937952898
143 RY*(16)C4 s(40.57%)p1.09(44.24%)d0.37(15.20%) 0.000013052 - 4.388470333
144 RY*(17)C4 s(0.59%)p99.99(89.01%)d17.66(10.40%) 0.000000818 - 0.705686046
145 RY*(18)C4 s(0.28%)p54.19(14.95%)d99.99(84.77%) 0.000003997 - 2.267064551
146 RY*(19)C4 s(14.45%)p5.12(73.93%)d0.80(11.62%) 0.000003427 - 1.055262193
147 RY*(20)C4 s(0.01%)p99.99(97.30%)d99.99(2.68%) 0.000000321 - 2.654470778
148 RY*(21)C4 s(87.45%)p0.12(10.39%)d0.02(2.15%) 0.000005401 - 13.166546414
149 RY*(22)C4 s(0.43%)p1.70(0.73%)d99.99(98.84%) 0.000003799 - 3.556423310
150 RY*(1)C5 s(1.36%)p62.47(84.92%)d10.09(13.72%) 0.005200094 - 1.351225725
151 RY*(2)C5 s(0.03%)p99.99(98.58%)d42.38(1.39%) 0.002551970 - 1.189366607
152 RY*(3)C5 s(4.70%)p18.98(89.18%)d1.30(6.12%) 0.000886755 - 0.688671812
153 RY*(4)C5 s(65.18%)p0.26(17.12%)d0.27(17.70%) 0.000824319 - 2.187121561
154 RY*(5)C5 s(1.94%)p7.81(15.17%)d42.64(82.88%) 0.000571108 - 1.683868876
155 RY*(6)C5 s(3.82%)p10.65(40.65%)d14.55(55.53%) 0.000274329 - 2.079927156
156 RY*(7)C5 s(0.24%)p14.98(3.66%)d99.99(96.10%) 0.000170597 - 1.804339991
157 RY*(8)C5 s(14.68%)p1.33(19.46%)d4.49(65.86%) 0.000172162 - 2.612894295
158 RY*(9)C5 s(32.71%)p0.38(12.48%)d1.68(54.81%) 0.000105612 - 1.744381181
159 RY*(10)C5 s(0.08%)p99.99(63.34%)d99.99(36.58%) 0.000076531 - 1.363384762
160 RY*(11)C5 s(3.70%)p5.04(18.65%)d21.01(77.66%) 0.000084686 - 1.713983077
161 RY*(12)C5 s(5.80%)p6.92(40.17%)d9.31(54.03%) 0.000050639 - 4.042646884
162 RY*(13)C5 s(2.66%)p19.22(51.19%)d17.33(46.15%) 0.000026452 - 2.258573371
163 RY*(14)C5 s(3.71%)p22.65(83.99%)d3.32(12.30%) 0.000009315 - 0.898321014
164 RY*(15)C5 s(0.02%)p99.99(25.61%)d99.99(74.37%) 0.000007289 - 1.115601371
165 RY*(16)C5 s(5.04%)p13.87(69.92%)d4.97(25.04%) 0.000007481 - 3.119260091
166 RY*(17)C5 s(12.48%)p4.87(60.72%)d2.15(26.80%) 0.000011674 - 1.903798378
167 RY*(18)C5 s(49.44%)p0.09(4.56%)d0.93(46.00%) 0.000013241 - 2.179553123
168 RY*(19)C5 s(90.48%)p0.02(2.10%)d0.08(7.42%) 0.000001222 - 19.340651606
169 RY*(20)C5 s(0.12%)p99.99(95.97%)d32.52(3.91%) 0.000000339 - 2.680574037
170 RY*(21)C5 s(0.11%)p16.46(1.74%)d99.99(98.16%) 0.000000185 - 3.230768232
171 RY*(22)C5 s(1.82%)p0.58(1.05%)d53.22(97.12%) 0.000001739 - 3.446270425
172 RY*(1)C6 s(0.07%)p99.99(91.11%)d99.99(8.82%) 0.005849938 - 1.327992651
173 RY*(2)C6 s(0.16%)p99.99(97.02%)d17.60(2.82%) 0.002229436 - 0.950968515
174 RY*(3)C6 s(0.03%)p99.99(57.02%)d99.99(42.95%) 0.001011861 - 0.626716900
175 RY*(4)C6 s(9.46%)p1.57(14.86%)d8.00(75.68%) 0.000691769 - 2.107367854
176 RY*(5)C6 s(0.03%)p99.99(15.38%)d99.99(84.60%) 0.000550931 - 2.236480188
177 RY*(6)C6 s(27.54%)p1.05(28.97%)d1.58(43.49%) 0.000438096 - 2.203738723
178 RY*(7)C6 s(18.10%)p2.45(44.38%)d2.07(37.52%) 0.000216684 - 2.434801769
179 RY*(8)C6 s(22.19%)p0.86(19.00%)d2.65(58.81%) 0.000156388 - 2.583764646
180 RY*(9)C6 s(0.14%)p99.99(33.42%)d99.99(66.44%) 0.000129098 - 1.228948236
181 RY*(10)C6 s(13.69%)p4.51(61.79%)d1.79(24.53%) 0.000082664 - 1.127930440
182 RY*(11)C6 s(44.43%)p0.32(14.10%)d0.93(41.47%) 0.000091949 - 2.597615684
183 RY*(12)C6 s(23.86%)p0.84(20.12%)d2.35(56.01%) 0.000052298 - 2.331429927
184 RY*(13)C6 s(21.28%)p2.89(61.56%)d0.81(17.16%) 0.000016337 - 4.216728860
185 RY*(14)C6 s(25.98%)p0.80(20.87%)d2.05(53.15%) 0.000006884 - 2.733709285
186 RY*(15)C6 s(2.54%)p17.40(44.26%)d20.92(53.20%) 0.000010636 - 2.690153687
187 RY*(16)C6 s(0.04%)p99.99(95.37%)d99.99(4.59%) 0.000002333 - 0.343860266
188 RY*(17)C6 s(0.02%)p59.81(1.18%)d99.99(98.80%) 0.000003537 - 2.382369810
189 RY*(18)C6 s(0.00%)p1.00(0.21%)d99.99(99.79%) 0.000006459 - 2.693826488
190 RY*(19)C6 s(7.37%)p9.40(69.24%)d3.17(23.39%) 0.000011963 - 2.292807802
191 RY*(20)C6 s(81.52%)p0.12(9.92%)d0.11(8.57%) 0.000002386 - 17.334735524
192 RY*(21)C6 s(0.01%)p1.00(97.62%)d0.02(2.38%) 0.000001807 - 2.825719680
193 RY*(22)C6 s(1.70%)p1.64(2.78%)d56.35(95.53%) 0.000001773 - 3.425398540
194 RY*(1)C7 s(3.13%)p29.13(91.30%)d1.78(5.57%) 0.007344565 - 1.387985676
195 RY*(2)C7 s(0.16%)p99.99(89.88%)d62.81(9.96%) 0.003713624 - 1.443530218
196 RY*(3)C7 s(65.17%)p0.12(7.51%)d0.42(27.32%) 0.001095347 - 1.438547148
197 RY*(4)C7 s(0.04%)p99.99(69.80%)d99.99(30.16%) 0.000787022 - 0.870509554
198 RY*(5)C7 s(17.40%)p1.38(24.05%)d3.37(58.55%) 0.000654381 - 2.257999823
199 RY*(6)C7 s(0.36%)p9.51(3.47%)d99.99(96.17%) 0.000610720 - 2.127776876
200 RY*(7)C7 s(0.30%)p47.17(14.29%)d99.99(85.40%) 0.000590772 - 2.732298736
201 RY*(8)C7 s(0.03%)p99.99(9.24%)d99.99(90.73%) 0.000263030 - 1.870708465
202 RY*(9)C7 s(10.44%)p4.55(47.52%)d4.02(42.03%) 0.000183786 - 1.755325379
203 RY*(10)C7 s(14.75%)p0.29(4.29%)d5.49(80.96%) 0.000129304 - 4.218056891
204 RY*(11)C7 s(2.82%)p10.14(28.61%)d24.31(68.57%) 0.000083494 - 2.889122839
205 RY*(12)C7 s(3.03%)p24.09(73.04%)d7.89(23.93%) 0.000059866 - 2.397719575
206 RY*(13)C7 s(1.28%)p18.29(23.48%)d58.58(75.23%) 0.000045482 - 2.015488930
207 RY*(14)C7 s(72.68%)p0.09(6.23%)d0.29(21.09%) 0.000024704 - 1.324394702
208 RY*(15)C7 s(9.70%)p3.08(29.85%)d6.23(60.45%) 0.000033146 - 3.872873197
209 RY*(16)C7 s(4.48%)p18.39(82.33%)d2.95(13.19%) 0.000026624 - 3.066127935
210 RY*(17)C7 s(3.92%)p23.28(91.36%)d1.20(4.72%) 0.000010868 - 0.970418362
211 RY*(18)C7 s(0.00%)p1.00(10.67%)d8.37(89.33%) 0.000000179 - 1.999926735
212 RY*(19)C7 s(83.73%)p0.11(9.08%)d0.09(7.19%) 0.000002760 - 18.229695759
213 RY*(20)C7 s(0.75%)p99.99(82.83%)d21.83(16.42%) 0.000007437 - 0.873970711
214 RY*(21)C7 s(0.00%)p1.00(99.91%)d0.00(0.09%) 0.000000072 - 2.813127853
215 RY*(22)C7 s(5.91%)p0.23(1.38%)d15.68(92.71%) 0.000001413 - 3.493761128
216 RY*(1)C8 s(1.71%)p52.06(88.86%)d5.53(9.44%) 0.005030679 - 1.351585817
217 RY*(2)C8 s(0.26%)p99.99(95.75%)d15.65(3.99%) 0.003814568 - 1.130318445
218 RY*(3)C8 s(5.41%)p14.37(77.78%)d3.10(16.81%) 0.000994793 - 0.949410572
219 RY*(4)C8 s(60.54%)p0.28(17.12%)d0.37(22.34%) 0.000891894 - 2.253798528
220 RY*(5)C8 s(0.17%)p99.99(20.12%)d99.99(79.71%) 0.000473268 - 1.258534953
221 RY*(6)C8 s(16.96%)p1.15(19.55%)d3.74(63.50%) 0.000344704 - 1.929186946
222 RY*(7)C8 s(9.15%)p3.57(32.67%)d6.36(58.19%) 0.000290195 - 2.596680786
223 RY*(8)C8 s(0.23%)p46.48(10.77%)d99.99(88.99%) 0.000212038 - 2.294989774
224 RY*(9)C8 s(6.47%)p10.24(66.31%)d4.20(27.21%) 0.000220928 - 1.111818888
225 RY*(10)C8 s(0.05%)p99.99(68.18%)d99.99(31.77%) 0.000089734 - 0.707357112
226 RY*(11)C8 s(12.20%)p1.77(21.59%)d5.42(66.20%) 0.000098401 - 4.669957527
227 RY*(12)C8 s(11.90%)p3.37(40.03%)d4.04(48.07%) 0.000042981 - 2.642437540
228 RY*(13)C8 s(26.30%)p0.87(22.98%)d1.93(50.72%) 0.000041434 - 2.206964469
229 RY*(14)C8 s(8.16%)p5.30(43.25%)d5.95(48.58%) 0.000041961 - 2.853710314
230 RY*(15)C8 s(24.60%)p1.57(38.61%)d1.50(36.79%) 0.000021024 - 5.087458156
231 RY*(16)C8 s(0.05%)p99.99(16.30%)d99.99(83.65%) 0.000006887 - 1.445697364
232 RY*(17)C8 s(0.12%)p99.99(99.25%)d5.48(0.64%) 0.000000994 - 2.754616792
233 RY*(18)C8 s(0.06%)p24.30(1.40%)d99.99(98.54%) 0.000001996 - 3.221622905
234 RY*(19)C8 s(11.03%)p7.70(84.98%)d0.36(3.99%) 0.000009998 - 2.596561854
235 RY*(20)C8 s(62.77%)p0.15(9.63%)d0.44(27.59%) 0.000005008 - 14.110564883
236 RY*(21)C8 s(40.79%)p0.48(19.75%)d0.97(39.46%) 0.000007372 - 3.139745206
237 RY*(22)C8 s(1.22%)p4.36(5.34%)d76.28(93.43%) 0.000001478 - 3.508918330
238 RY*(1)H9 s(98.43%)p0.02(1.57%) 0.001524217 - 1.372925726
239 RY*(2)H9 s(0.19%)p99.99(99.81%) 0.000217803 - 1.978652986
240 RY*(3)H9 s(91.76%)p0.09(8.24%) 0.000179157 - 1.816900540
241 RY*(4)H9 s(5.67%)p16.64(94.33%) 0.000051066 - 2.753832820
242 RY*(5)H9 s(4.00%)p24.03(96.00%) 0.000042708 - 2.572519640
243 RY*(1)C10 s(16.05%)p5.22(83.73%)d0.01(0.22%) 0.012009292 - 1.191985994
244 RY*(2)C10 s(46.32%)p0.31(14.43%)d0.85(39.25%) 0.004287692 - 1.808066197
245 RY*(3)C10 s(4.87%)p17.03(82.97%)d2.50(12.16%) 0.002183158 - 1.189815273
246 RY*(4)C10 s(0.00%)p1.00(9.06%)d10.03(90.94%) 0.001335321 - 1.953690929
247 RY*(5)C10 s(0.21%)p99.99(92.46%)d34.09(7.33%) 0.000327028 - 0.541147194
248 RY*(6)C10 s(27.11%)p1.67(45.15%)d1.02(27.74%) 0.000286959 - 1.742399456
249 RY*(7)C10 s(5.07%)p14.24(72.13%)d4.50(22.80%) 0.000160584 - 3.792613717
250 RY*(8)C10 s(8.04%)p5.72(45.98%)d5.72(45.98%) 0.000108662 - 3.065087204
251 RY*(9)C10 s(34.98%)p0.96(33.66%)d0.90(31.36%) 0.000030624 - 5.354669068
252 RY*(10)C10 s(29.60%)p2.31(68.51%)d0.06(1.89%) 0.000003099 - 1.333370758
253 RY*(11)C10 s(0.01%)p1.00(90.84%)d0.10(9.15%) 0.000003883 - 0.957363628
254 RY*(12)C10 s(8.04%)p1.85(14.85%)d9.60(77.12%) 0.000011532 - 2.907893471
255 RY*(13)C10 s(0.00%)p1.00(95.69%)d0.04(4.30%) 0.000000396 - 2.412111741
256 RY*(14)C10 s(1.36%)p9.38(12.77%)d63.11(85.87%) 0.000004131 - 2.746254411
257 RY*(15)C10 s(17.70%)p3.52(62.35%)d1.13(19.95%) 0.000003712 - 1.742482406
258 RY*(16)C10 s(6.71%)p3.53(23.65%)d10.38(69.64%) 0.000010258 - 3.091386922
259 RY*(17)C10 s(0.00%)p1.00(6.45%)d14.49(93.54%) 0.000001449 - 2.386201774
260 RY*(18)C10 s(0.00%)p1.00(2.69%)d36.13(97.31%) 0.000005113 - 2.192450010
261 RY*(19)C10 s(63.91%)p0.01(0.63%)d0.55(35.46%) 0.000001565 - 12.542066118
262 RY*(20)C10 s(2.61%)p5.32(13.89%)d31.99(83.50%) 0.000004447 - 2.694297721
263 RY*(21)C10 s(27.09%)p0.97(26.26%)d1.72(46.65%) 0.000009116 - 5.789205301
264 RY*(22)C10 s(0.00%)p1.00(2.49%)d39.11(97.51%) 0.000000241 - 2.756203451
265 RY*(1)O11 s(0.57%)p99.99(96.90%)d4.47(2.53%) 0.004223169 - 0.906424971
266 RY*(2)O11 s(0.03%)p99.99(91.28%)d99.99(8.70%) 0.000972033 - 0.809903284
267 RY*(3)O11 s(74.60%)p0.30(22.69%)d0.04(2.72%) 0.000718539 - 1.027899681
268 RY*(4)O11 s(6.32%)p9.14(57.76%)d5.69(35.93%) 0.000122210 - 1.291478713
269 RY*(5)O11 s(14.12%)p1.40(19.83%)d4.68(66.05%) 0.000095826 - 2.278864750
270 RY*(6)O11 s(0.00%)p1.00(31.73%)d2.15(68.27%) 0.000046740 - 1.454156423
271 RY*(7)O11 s(11.04%)p3.03(33.47%)d5.03(55.49%) 0.000051950 - 1.882938519
272 RY*(8)O11 s(2.14%)p30.31(65.00%)d15.32(32.86%) 0.000027177 - 2.064622510
273 RY*(9)O11 s(29.36%)p2.29(67.09%)d0.12(3.55%) 0.000004846 - 3.502858629
274 RY*(10)O11 s(39.46%)p0.67(26.32%)d0.87(34.22%) 0.000005028 - 2.208830543
275 RY*(11)O11 s(18.93%)p3.92(74.15%)d0.37(6.91%) 0.000010860 - 1.491282421
276 RY*(12)O11 s(0.00%)p1.00(98.60%)d0.01(1.40%) 0.000000186 - 4.852093246
277 RY*(13)O11 s(1.16%)p28.79(33.49%)d56.18(65.35%) 0.000002488 - 1.500590753
278 RY*(14)O11 s(0.35%)p13.53(4.79%)d99.99(94.85%) 0.000000168 - 6.518182069
279 RY*(15)O11 s(1.17%)p82.19(96.38%)d2.09(2.45%) 0.000001482 - 4.941921763
280 RY*(16)O11 s(0.00%)p1.00(0.58%)d99.99(99.42%) 0.000000007 - 6.736357505
281 RY*(17)O11 s(0.00%)p1.00(6.21%)d15.11(93.79%) 0.000001309 - 1.516925591
282 RY*(18)O11 s(0.00%)p1.00(3.28%)d29.48(96.72%) 0.000000156 - 6.455246915
283 RY*(19)O11 s(99.97%)p0.00(0.02%)d0.00(0.01%) 0.000000018 - 49.574439886
284 RY*(20)O11 s(0.60%)p3.88(2.31%)d99.99(97.09%) 0.000000124 - 6.698340637
285 RY*(21)O11 s(0.00%)p1.00(68.65%)d0.46(31.35%) 0.000000582 - 1.220116210
286 RY*(22)O11 s(0.14%)p5.10(0.71%)d99.99(99.15%) 0.000000231 - 6.792844903
287 RY*(1)H12 s(98.51%)p0.02(1.49%) 0.002591043 - 0.546871810
288 RY*(2)H12 s(79.18%)p0.26(20.82%) 0.000142260 - 2.216509681
289 RY*(3)H12 s(22.18%)p3.51(77.82%) 0.000091416 - 2.262060790
290 RY*(4)H12 s(0.00%)p1.00(100.00%) 0.000078682 - 1.701918786
291 RY*(5)H12 s(0.19%)p99.99(99.81%) 0.000034964 - 2.640605285
292 RY*(1)H13 s(99.95%)p0.00(0.05%) 0.000975427 - 1.437668391
293 RY*(2)H13 s(0.04%)p99.99(99.96%) 0.000214008 - 1.908065955
294 RY*(3)H13 s(89.38%)p0.12(10.62%) 0.000179490 - 1.914244070
295 RY*(4)H13 s(3.32%)p29.15(96.68%) 0.000054168 - 2.618992594
296 RY*(5)H13 s(7.36%)p12.59(92.64%) 0.000027442 - 2.556349983
297 RY*(1)H14 s(99.85%)p0.00(0.15%) 0.000859216 - 1.295222591
298 RY*(2)H14 s(0.04%)p99.99(99.96%) 0.000228031 - 1.954629159
299 RY*(3)H14 s(95.35%)p0.05(4.65%) 0.000174237 - 1.823191207
300 RY*(4)H14 s(4.76%)p20.01(95.24%) 0.000045067 - 2.728521337
301 RY*(5)H14 s(0.05%)p99.99(99.95%) 0.000031453 - 2.604794006
302 RY*(1)O15 s(16.82%)p4.79(80.58%)d0.15(2.59%) 0.002581061 - 0.740003425
303 RY*(2)O15 s(7.80%)p11.64(90.84%)d0.17(1.36%) 0.002196210 - 1.108103376
304 RY*(3)O15 s(46.93%)p0.85(39.85%)d0.28(13.22%) 0.000811310 - 1.927884184
305 RY*(4)O15 s(4.04%)p20.66(83.53%)d3.07(12.43%) 0.000645496 - 0.980107032
306 RY*(5)O15 s(1.48%)p62.03(91.91%)d4.46(6.61%) 0.000577110 - 1.142048013
307 RY*(6)O15 s(0.55%)p82.60(45.32%)d98.68(54.14%) 0.000213691 - 1.556962119
308 RY*(7)O15 s(4.49%)p13.34(59.92%)d7.93(35.59%) 0.000183776 - 1.653077047
309 RY*(8)O15 s(3.19%)p5.69(18.14%)d24.70(78.68%) 0.000098366 - 3.015727360
310 RY*(9)O15 s(8.31%)p3.49(29.02%)d7.54(62.67%) 0.000059317 - 2.669833134
311 RY*(10)O15 s(5.38%)p5.67(30.54%)d11.90(64.08%) 0.000046453 - 2.442744003
312 RY*(11)O15 s(5.71%)p3.24(18.49%)d13.27(75.80%) 0.000025180 - 3.371913959
313 RY*(12)O15 s(1.06%)p56.75(60.11%)d36.66(38.83%) 0.000023632 - 3.902658059
314 RY*(13)O15 s(0.06%)p99.99(90.01%)d99.99(9.93%) 0.000006469 - 4.577840216
315 RY*(14)O15 s(0.00%)p1.00(4.86%)d19.56(95.13%) 0.000000921 - 6.306192112
316 RY*(15)O15 s(99.46%)p0.00(0.44%)d0.00(0.10%) 0.000000122 - 49.227800156
317 RY*(16)O15 s(0.05%)p99.99(8.11%)d99.99(91.84%) 0.000002168 - 5.000575328
318 RY*(17)O15 s(0.47%)p75.55(35.60%)d99.99(63.93%) 0.000009385 - 2.001775778
319 RY*(18)O15 s(0.18%)p32.20(5.86%)d99.99(93.96%) 0.000003313 - 5.978478786
320 RY*(19)O15 s(92.60%)p0.02(2.05%)d0.06(5.35%) 0.000006205 - 1.181718730
321 RY*(20)O15 s(1.38%)p3.39(4.68%)d68.04(93.94%) 0.000002368 - 6.360002702
322 RY*(21)O15 s(0.00%)p1.00(99.78%)d0.00(0.22%) 0.000000109 - 4.902326358
323 RY*(22)O15 s(0.02%)p47.96(1.18%)d99.99(98.79%) 0.000000459 - 6.684525820
324 RY*(1)H16 s(99.71%)p0.00(0.29%) 0.001365969 - 0.605042071
325 RY*(2)H16 s(78.65%)p0.27(21.35%) 0.000206735 - 2.144997180
326 RY*(3)H16 s(5.33%)p17.77(94.67%) 0.000078167 - 2.212531382
327 RY*(4)H16 s(1.03%)p95.75(98.97%) 0.000048965 - 2.210236017
328 RY*(5)H16 s(15.32%)p5.53(84.68%) 0.000042371 - 2.763747904
329 RY*(1)H17 s(99.57%)p0.00(0.43%) 0.000928470 - 0.513629258
330 RY*(2)H17 s(82.75%)p0.21(17.25%) 0.000197033 - 2.235685620
331 RY*(3)H17 s(0.45%)p99.99(99.55%) 0.000076811 - 2.205036650
332 RY*(4)H17 s(0.01%)p99.99(99.99%) 0.000045204 - 2.179962009
333 RY*(5)H17 s(17.25%)p4.80(82.75%) 0.000027397 - 2.833105616

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-O2 1, 2 1.988684150 - -0.837949881
2 BD(1)C1-O15 3, 4 1.988233564 - -0.833055781
3 BD(1)C1-H16 5, 6 1.991463962 - -0.570891134
4 BD(1)C1-H17 7, 8 1.990464999 - -0.573668831
5 BD(1)O2-C3 9, 10 1.986350640 - -0.912315286
6 BD(1)C3-C4 11, 12 1.974474436 - -0.734186297
7 BD(1)C3-C8 13, 14 1.974367594 - -0.749290128
8 BD(2)C3-C8 15, 16 1.700949459 - -0.286929469
9 BD(1)C4-C5 17, 18 1.974247328 - -0.747855647
10 BD(2)C4-C5 19, 20 1.676623096 - -0.288583782
11 BD(1)C4-O15 21, 22 1.987473749 - -0.928472600
12 BD(1)C5-C6 23, 24 1.972385988 - -0.713894515
13 BD(1)C5-H14 25, 26 1.978381799 - -0.543375550
14 BD(1)C6-C7 27, 28 1.975431691 - -0.716747357
15 BD(2)C6-C7 29, 30 1.672923673 - -0.269727104
16 BD(1)C6-H13 31, 32 1.977125057 - -0.535468877
17 BD(1)C7-C8 33, 34 1.965996086 - -0.697188279
18 BD(1)C7-C10 35, 36 1.980263669 - -0.675996797
19 BD(1)C8-H9 37, 38 1.976298099 - -0.533124496
20 BD(1)C10-O11 39, 40 1.995885756 - -1.077421644
21 BD(2)C10-O11 41, 42 1.980149156 - -0.383359613
22 BD(1)C10-H12 43, 44 1.985457129 - -0.536130240
23 CR(1)C1 45 1.999291607 - -10.201286751
24 CR(1)O2 46 1.999737392 - -18.983173387
25 CR(1)C3 47 1.998660533 - -10.118949380
26 CR(1)C4 48 1.998687676 - -10.125337612
27 CR(1)C5 49 1.999046168 - -10.052966111
28 CR(1)C6 50 1.999109376 - -10.054386077
29 CR(1)C7 51 1.998991192 - -10.053601439
30 CR(1)C8 52 1.998948141 - -10.046904646
31 CR(1)C10 53 1.999350567 - -10.134354783
32 CR(1)O11 54 1.999765437 - -18.861227918
33 CR(1)O15 55 1.999734934 - -18.987647831
34 LP(1)O2 56 1.963080230 - -0.616247221
35 LP(2)O2 57 1.859952380 - -0.347314157
36 LP(1)O11 58 1.985001380 - -0.699033296
37 LP(2)O11 59 1.880289917 - -0.270566468
38 LP(1)O15 60 1.964577718 - -0.620065118
39 LP(2)O15 61 1.844129913 - -0.351970225
40 RY*(1)C1 62 0.005324144 - 0.877427674
41 RY*(2)C1 63 0.002814382 - 1.051287842
42 RY*(3)C1 64 0.001829573 - 1.551899414
43 RY*(4)C1 65 0.001236165 - 1.343869625
44 RY*(5)C1 66 0.000809801 - 0.971758314
45 RY*(6)C1 67 0.000506159 - 1.643816361
46 RY*(7)C1 68 0.000315700 - 2.278172988
47 RY*(8)C1 69 0.000300670 - 1.823754474
48 RY*(9)C1 70 0.000034109 - 2.513354527
49 RY*(10)C1 71 0.000033078 - 2.879497738
50 RY*(11)C1 72 0.000008376 - 1.063095499
51 RY*(12)C1 73 0.000014815 - 1.179469588
52 RY*(13)C1 74 0.000008122 - 0.980149756
53 RY*(14)C1 75 0.000004646 - 2.659091171
54 RY*(15)C1 76 0.000005466 - 2.118124123
55 RY*(16)C1 77 0.000001885 - 2.950668855
56 RY*(17)C1 78 0.000000888 - 21.729694826
57 RY*(18)C1 79 0.000003343 - 0.794972406
58 RY*(19)C1 80 0.000008097 - 2.500856833
59 RY*(20)C1 81 0.000002993 - 2.884664264
60 RY*(21)C1 82 0.000000561 - 2.598406545
61 RY*(22)C1 83 0.000001834 - 2.912196279
62 RY*(1)O2 84 0.002332650 - 0.975812324
63 RY*(2)O2 85 0.002259691 - 0.897219792
64 RY*(3)O2 86 0.000842350 - 1.829017160
65 RY*(4)O2 87 0.000641896 - 1.101242360
66 RY*(5)O2 88 0.000463258 - 1.050284074
67 RY*(6)O2 89 0.000187851 - 1.696658149
68 RY*(7)O2 90 0.000196112 - 1.553304350
69 RY*(8)O2 91 0.000103118 - 3.243605591
70 RY*(9)O2 92 0.000063312 - 2.017945878
71 RY*(10)O2 93 0.000040621 - 4.801410649
72 RY*(11)O2 94 0.000031751 - 3.014799884
73 RY*(12)O2 95 0.000033282 - 2.024394896
74 RY*(13)O2 96 0.000006695 - 4.728035388
75 RY*(14)O2 97 0.000002899 - 6.438691388
76 RY*(15)O2 98 0.000000109 - 49.362242841
77 RY*(16)O2 99 0.000007386 - 4.620706260
78 RY*(17)O2 100 0.000005955 - 1.494812145
79 RY*(18)O2 101 0.000000585 - 6.741506227
80 RY*(19)O2 102 0.000006654 - 1.374811845
81 RY*(20)O2 103 0.000000882 - 6.223706274
82 RY*(21)O2 104 0.000000082 - 4.909199937
83 RY*(22)O2 105 0.000000646 - 6.734405564
84 RY*(1)C3 106 0.005075139 - 1.194862905
85 RY*(2)C3 107 0.003195914 - 1.944197751
86 RY*(3)C3 108 0.002074668 - 1.576144335
87 RY*(4)C3 109 0.001846293 - 1.875519400
88 RY*(5)C3 110 0.000700993 - 2.153698527
89 RY*(6)C3 111 0.000586557 - 1.588030889
90 RY*(7)C3 112 0.000359488 - 3.013020840
91 RY*(8)C3 113 0.000313346 - 1.854481305
92 RY*(9)C3 114 0.000217422 - 2.256393889
93 RY*(10)C3 115 0.000187042 - 2.745996942
94 RY*(11)C3 116 0.000088495 - 5.376904190
95 RY*(12)C3 117 0.000082134 - 2.737023169
96 RY*(13)C3 118 0.000054931 - 2.903246527
97 RY*(14)C3 119 0.000032173 - 3.695266111
98 RY*(15)C3 120 0.000034665 - 1.503839904
99 RY*(16)C3 121 0.000002182 - 0.709321087
100 RY*(17)C3 122 0.000000630 - 2.637701427
101 RY*(18)C3 123 0.000003297 - 2.062616625
102 RY*(19)C3 124 0.000007175 - 1.377544109
103 RY*(20)C3 125 0.000010314 - 4.765820114
104 RY*(21)C3 126 0.000008837 - 12.793965671
105 RY*(22)C3 127 0.000004342 - 3.553846099
106 RY*(1)C4 128 0.005378349 - 1.171884966
107 RY*(2)C4 129 0.003313129 - 1.863516999
108 RY*(3)C4 130 0.002136316 - 1.574456901
109 RY*(4)C4 131 0.001880057 - 1.714670208
110 RY*(5)C4 132 0.000827588 - 2.158398914
111 RY*(6)C4 133 0.000568603 - 2.196719027
112 RY*(7)C4 134 0.000410182 - 1.385241705
113 RY*(8)C4 135 0.000338984 - 2.909933459
114 RY*(9)C4 136 0.000218125 - 1.893386706
115 RY*(10)C4 137 0.000192503 - 3.126930874
116 RY*(11)C4 138 0.000087719 - 4.626909276
117 RY*(12)C4 139 0.000094468 - 2.507287161
118 RY*(13)C4 140 0.000047248 - 3.294353210
119 RY*(14)C4 141 0.000038636 - 3.023970961
120 RY*(15)C4 142 0.000026608 - 2.937952898
121 RY*(16)C4 143 0.000013052 - 4.388470333
122 RY*(17)C4 144 0.000000818 - 0.705686046
123 RY*(18)C4 145 0.000003997 - 2.267064551
124 RY*(19)C4 146 0.000003427 - 1.055262193
125 RY*(20)C4 147 0.000000321 - 2.654470778
126 RY*(21)C4 148 0.000005401 - 13.166546414
127 RY*(22)C4 149 0.000003799 - 3.556423310
128 RY*(1)C5 150 0.005200094 - 1.351225725
129 RY*(2)C5 151 0.002551970 - 1.189366607
130 RY*(3)C5 152 0.000886755 - 0.688671812
131 RY*(4)C5 153 0.000824319 - 2.187121561
132 RY*(5)C5 154 0.000571108 - 1.683868876
133 RY*(6)C5 155 0.000274329 - 2.079927156
134 RY*(7)C5 156 0.000170597 - 1.804339991
135 RY*(8)C5 157 0.000172162 - 2.612894295
136 RY*(9)C5 158 0.000105612 - 1.744381181
137 RY*(10)C5 159 0.000076531 - 1.363384762
138 RY*(11)C5 160 0.000084686 - 1.713983077
139 RY*(12)C5 161 0.000050639 - 4.042646884
140 RY*(13)C5 162 0.000026452 - 2.258573371
141 RY*(14)C5 163 0.000009315 - 0.898321014
142 RY*(15)C5 164 0.000007289 - 1.115601371
143 RY*(16)C5 165 0.000007481 - 3.119260091
144 RY*(17)C5 166 0.000011674 - 1.903798378
145 RY*(18)C5 167 0.000013241 - 2.179553123
146 RY*(19)C5 168 0.000001222 - 19.340651606
147 RY*(20)C5 169 0.000000339 - 2.680574037
148 RY*(21)C5 170 0.000000185 - 3.230768232
149 RY*(22)C5 171 0.000001739 - 3.446270425
150 RY*(1)C6 172 0.005849938 - 1.327992651
151 RY*(2)C6 173 0.002229436 - 0.950968515
152 RY*(3)C6 174 0.001011861 - 0.626716900
153 RY*(4)C6 175 0.000691769 - 2.107367854
154 RY*(5)C6 176 0.000550931 - 2.236480188
155 RY*(6)C6 177 0.000438096 - 2.203738723
156 RY*(7)C6 178 0.000216684 - 2.434801769
157 RY*(8)C6 179 0.000156388 - 2.583764646
158 RY*(9)C6 180 0.000129098 - 1.228948236
159 RY*(10)C6 181 0.000082664 - 1.127930440
160 RY*(11)C6 182 0.000091949 - 2.597615684
161 RY*(12)C6 183 0.000052298 - 2.331429927
162 RY*(13)C6 184 0.000016337 - 4.216728860
163 RY*(14)C6 185 0.000006884 - 2.733709285
164 RY*(15)C6 186 0.000010636 - 2.690153687
165 RY*(16)C6 187 0.000002333 - 0.343860266
166 RY*(17)C6 188 0.000003537 - 2.382369810
167 RY*(18)C6 189 0.000006459 - 2.693826488
168 RY*(19)C6 190 0.000011963 - 2.292807802
169 RY*(20)C6 191 0.000002386 - 17.334735524
170 RY*(21)C6 192 0.000001807 - 2.825719680
171 RY*(22)C6 193 0.000001773 - 3.425398540
172 RY*(1)C7 194 0.007344565 - 1.387985676
173 RY*(2)C7 195 0.003713624 - 1.443530218
174 RY*(3)C7 196 0.001095347 - 1.438547148
175 RY*(4)C7 197 0.000787022 - 0.870509554
176 RY*(5)C7 198 0.000654381 - 2.257999823
177 RY*(6)C7 199 0.000610720 - 2.127776876
178 RY*(7)C7 200 0.000590772 - 2.732298736
179 RY*(8)C7 201 0.000263030 - 1.870708465
180 RY*(9)C7 202 0.000183786 - 1.755325379
181 RY*(10)C7 203 0.000129304 - 4.218056891
182 RY*(11)C7 204 0.000083494 - 2.889122839
183 RY*(12)C7 205 0.000059866 - 2.397719575
184 RY*(13)C7 206 0.000045482 - 2.015488930
185 RY*(14)C7 207 0.000024704 - 1.324394702
186 RY*(15)C7 208 0.000033146 - 3.872873197
187 RY*(16)C7 209 0.000026624 - 3.066127935
188 RY*(17)C7 210 0.000010868 - 0.970418362
189 RY*(18)C7 211 0.000000179 - 1.999926735
190 RY*(19)C7 212 0.000002760 - 18.229695759
191 RY*(20)C7 213 0.000007437 - 0.873970711
192 RY*(21)C7 214 0.000000072 - 2.813127853
193 RY*(22)C7 215 0.000001413 - 3.493761128
194 RY*(1)C8 216 0.005030679 - 1.351585817
195 RY*(2)C8 217 0.003814568 - 1.130318445
196 RY*(3)C8 218 0.000994793 - 0.949410572
197 RY*(4)C8 219 0.000891894 - 2.253798528
198 RY*(5)C8 220 0.000473268 - 1.258534953
199 RY*(6)C8 221 0.000344704 - 1.929186946
200 RY*(7)C8 222 0.000290195 - 2.596680786
201 RY*(8)C8 223 0.000212038 - 2.294989774
202 RY*(9)C8 224 0.000220928 - 1.111818888
203 RY*(10)C8 225 0.000089734 - 0.707357112
204 RY*(11)C8 226 0.000098401 - 4.669957527
205 RY*(12)C8 227 0.000042981 - 2.642437540
206 RY*(13)C8 228 0.000041434 - 2.206964469
207 RY*(14)C8 229 0.000041961 - 2.853710314
208 RY*(15)C8 230 0.000021024 - 5.087458156
209 RY*(16)C8 231 0.000006887 - 1.445697364
210 RY*(17)C8 232 0.000000994 - 2.754616792
211 RY*(18)C8 233 0.000001996 - 3.221622905
212 RY*(19)C8 234 0.000009998 - 2.596561854
213 RY*(20)C8 235 0.000005008 - 14.110564883
214 RY*(21)C8 236 0.000007372 - 3.139745206
215 RY*(22)C8 237 0.000001478 - 3.508918330
216 RY*(1)H9 238 0.001524217 - 1.372925726
217 RY*(2)H9 239 0.000217803 - 1.978652986
218 RY*(3)H9 240 0.000179157 - 1.816900540
219 RY*(4)H9 241 0.000051066 - 2.753832820
220 RY*(5)H9 242 0.000042708 - 2.572519640
221 RY*(1)C10 243 0.012009292 - 1.191985994
222 RY*(2)C10 244 0.004287692 - 1.808066197
223 RY*(3)C10 245 0.002183158 - 1.189815273
224 RY*(4)C10 246 0.001335321 - 1.953690929
225 RY*(5)C10 247 0.000327028 - 0.541147194
226 RY*(6)C10 248 0.000286959 - 1.742399456
227 RY*(7)C10 249 0.000160584 - 3.792613717
228 RY*(8)C10 250 0.000108662 - 3.065087204
229 RY*(9)C10 251 0.000030624 - 5.354669068
230 RY*(10)C10 252 0.000003099 - 1.333370758
231 RY*(11)C10 253 0.000003883 - 0.957363628
232 RY*(12)C10 254 0.000011532 - 2.907893471
233 RY*(13)C10 255 0.000000396 - 2.412111741
234 RY*(14)C10 256 0.000004131 - 2.746254411
235 RY*(15)C10 257 0.000003712 - 1.742482406
236 RY*(16)C10 258 0.000010258 - 3.091386922
237 RY*(17)C10 259 0.000001449 - 2.386201774
238 RY*(18)C10 260 0.000005113 - 2.192450010
239 RY*(19)C10 261 0.000001565 - 12.542066118
240 RY*(20)C10 262 0.000004447 - 2.694297721
241 RY*(21)C10 263 0.000009116 - 5.789205301
242 RY*(22)C10 264 0.000000241 - 2.756203451
243 RY*(1)O11 265 0.004223169 - 0.906424971
244 RY*(2)O11 266 0.000972033 - 0.809903284
245 RY*(3)O11 267 0.000718539 - 1.027899681
246 RY*(4)O11 268 0.000122210 - 1.291478713
247 RY*(5)O11 269 0.000095826 - 2.278864750
248 RY*(6)O11 270 0.000046740 - 1.454156423
249 RY*(7)O11 271 0.000051950 - 1.882938519
250 RY*(8)O11 272 0.000027177 - 2.064622510
251 RY*(9)O11 273 0.000004846 - 3.502858629
252 RY*(10)O11 274 0.000005028 - 2.208830543
253 RY*(11)O11 275 0.000010860 - 1.491282421
254 RY*(12)O11 276 0.000000186 - 4.852093246
255 RY*(13)O11 277 0.000002488 - 1.500590753
256 RY*(14)O11 278 0.000000168 - 6.518182069
257 RY*(15)O11 279 0.000001482 - 4.941921763
258 RY*(16)O11 280 0.000000007 - 6.736357505
259 RY*(17)O11 281 0.000001309 - 1.516925591
260 RY*(18)O11 282 0.000000156 - 6.455246915
261 RY*(19)O11 283 0.000000018 - 49.574439886
262 RY*(20)O11 284 0.000000124 - 6.698340637
263 RY*(21)O11 285 0.000000582 - 1.220116210
264 RY*(22)O11 286 0.000000231 - 6.792844903
265 RY*(1)H12 287 0.002591043 - 0.546871810
266 RY*(2)H12 288 0.000142260 - 2.216509681
267 RY*(3)H12 289 0.000091416 - 2.262060790
268 RY*(4)H12 290 0.000078682 - 1.701918786
269 RY*(5)H12 291 0.000034964 - 2.640605285
270 RY*(1)H13 292 0.000975427 - 1.437668391
271 RY*(2)H13 293 0.000214008 - 1.908065955
272 RY*(3)H13 294 0.000179490 - 1.914244070
273 RY*(4)H13 295 0.000054168 - 2.618992594
274 RY*(5)H13 296 0.000027442 - 2.556349983
275 RY*(1)H14 297 0.000859216 - 1.295222591
276 RY*(2)H14 298 0.000228031 - 1.954629159
277 RY*(3)H14 299 0.000174237 - 1.823191207
278 RY*(4)H14 300 0.000045067 - 2.728521337
279 RY*(5)H14 301 0.000031453 - 2.604794006
280 RY*(1)O15 302 0.002581061 - 0.740003425
281 RY*(2)O15 303 0.002196210 - 1.108103376
282 RY*(3)O15 304 0.000811310 - 1.927884184
283 RY*(4)O15 305 0.000645496 - 0.980107032
284 RY*(5)O15 306 0.000577110 - 1.142048013
285 RY*(6)O15 307 0.000213691 - 1.556962119
286 RY*(7)O15 308 0.000183776 - 1.653077047
287 RY*(8)O15 309 0.000098366 - 3.015727360
288 RY*(9)O15 310 0.000059317 - 2.669833134
289 RY*(10)O15 311 0.000046453 - 2.442744003
290 RY*(11)O15 312 0.000025180 - 3.371913959
291 RY*(12)O15 313 0.000023632 - 3.902658059
292 RY*(13)O15 314 0.000006469 - 4.577840216
293 RY*(14)O15 315 0.000000921 - 6.306192112
294 RY*(15)O15 316 0.000000122 - 49.227800156
295 RY*(16)O15 317 0.000002168 - 5.000575328
296 RY*(17)O15 318 0.000009385 - 2.001775778
297 RY*(18)O15 319 0.000003313 - 5.978478786
298 RY*(19)O15 320 0.000006205 - 1.181718730
299 RY*(20)O15 321 0.000002368 - 6.360002702
300 RY*(21)O15 322 0.000000109 - 4.902326358
301 RY*(22)O15 323 0.000000459 - 6.684525820
302 RY*(1)H16 324 0.001365969 - 0.605042071
303 RY*(2)H16 325 0.000206735 - 2.144997180
304 RY*(3)H16 326 0.000078167 - 2.212531382
305 RY*(4)H16 327 0.000048965 - 2.210236017
306 RY*(5)H16 328 0.000042371 - 2.763747904
307 RY*(1)H17 329 0.000928470 - 0.513629258
308 RY*(2)H17 330 0.000197033 - 2.235685620
309 RY*(3)H17 331 0.000076811 - 2.205036650
310 RY*(4)H17 332 0.000045204 - 2.179962009
311 RY*(5)H17 333 0.000027397 - 2.833105616
312 BD*(1)C1-O2 0.027067862 - 0.226570373
313 BD*(1)C1-O15 0.030170944 - 0.216099468
314 BD*(1)C1-H16 0.034090813 - 0.337945390
315 BD*(1)C1-H17 0.026656329 - 0.344334057
316 BD*(1)O2-C3 0.030047409 - 0.318810449
317 BD*(1)C3-C4 0.039764348 - 0.523083040
318 BD*(1)C3-C8 0.019118931 - 0.573642725
319 BD*(2)C3-C8 0.320324924 - 0.013067631
320 BD*(1)C4-C5 0.020977399 - 0.554058049
321 BD*(2)C4-C5 0.363100355 - 0.003255729
322 BD*(1)C4-O15 0.028084133 - 0.325993101
323 BD*(1)C5-C6 0.011776134 - 0.540643559
324 BD*(1)C5-H14 0.013590833 - 0.406093754
325 BD*(1)C6-C7 0.020391336 - 0.556796416
326 BD*(2)C6-C7 0.374167862 - 0.013297777
327 BD*(1)C6-H13 0.014577393 - 0.418301368
328 BD*(1)C7-C8 0.022823565 - 0.534031795
329 BD*(1)C7-C10 0.058096686 - 0.446381155
330 BD*(1)C8-H9 0.014561124 - 0.421378920
331 BD*(1)C10-O11 0.003638765 - 0.605610998
332 BD*(2)C10-O11 0.130290880 - 0.003343771
333 BD*(1)C10-H12 0.067478971 - 0.349155513

Quote

WE'RE IN THE POSITION OF A VISITOR FROM ANOTHER DIMENSION WHO COMES TO EARTH AND SEES A CHESS MATCH. ASSUMING HE KNOWS IT'S A GAME, HE'S GOT TWO PROBLEMS: FIRST, FIGURE OUT THE RULES, AND SECOND, FIGURE OUT HOW TO WIN. NINETY PERCENT OF SCIENCE (INCLUDING VIRTUALLY ALL OF CHEMISRY) IS IN THAT SECOND CATEGORY. THEY'RE TRYING TO APPLY THE LAWS THAT ARE ALREADY KNOWN. -- SHELDON GLASHOW, 1979