WebMO Job Summary

165339: C7H5NF3(-1) meta benzyne + NH2 anion, 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 C7H5F3N(1-)
Symmetry C1
Basis 6-311+G(2d,p)
RB3LYP Energy -624.23104635 Hartree
Dipole Moment 3.0234 Debye
Server class (166219)
CPU time 440.6 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 2.1177492 0.07064050958
b 0.7422582 0.02475906849
c 0.6092120 0.02032112496

Partial Charges

Atom Symbol Charge
1 C 1.002134  
2 C -0.247922  
3 C -0.544836  
4 C -0.307436  
5 C -0.294719  
6 C 0.088082  
7 C 0.259574  
8 N -0.433494  
9 H 0.173347  
10 H 0.212434  
11 H 0.029136  
12 H 0.035968  
13 H 0.056068  
14 F -0.312489  
15 F -0.402755  
16 F -0.313093  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -24.55698
2 - 2 - -24.55163
3 - 2 - -24.55148
4 - 2 - -14.15759
5 - 2 - -10.26052
6 - 2 - -10.03807
7 - 2 - -10.02004
8 - 2 - -10.01693
9 - 2 - -10.01569
10 - 2 - -10.01561
11 - 2 - -9.95511
12 - 2 - -1.15322
13 - 2 - -1.06701
14 - 2 - -1.06485
15 - 2 - -0.7515
16 - 2 - -0.68436
17 - 2 - -0.61314
18 - 2 - -0.5602
19 - 2 - -0.53908
20 - 2 - -0.4632
21 - 2 - -0.44801
22 - 2 - -0.43528
23 - 2 - -0.42285
24 - 2 - -0.39234
25 - 2 - -0.34567
26 - 2 - -0.33135
27 - 2 - -0.31901
28 - 2 - -0.31741
29 - 2 - -0.30296
30 - 2 - -0.28216
31 - 2 - -0.27713
32 - 2 - -0.25784
33 - 2 - -0.25724
34 - 2 - -0.25297
35 - 2 - -0.22565
36 - 2 - -0.21938
37 - 2 - -0.19407
38 - 2 - -0.157
39 - 2 - -0.09226
40 - 2 - -0.05365
41 - 2 - -0.01637
42 - 0 - 0.11305
43 - 0 - 0.12607
44 - 0 - 0.13526
45 - 0 - 0.13811
46 - 0 - 0.15157
47 - 0 - 0.15601
48 - 0 - 0.16629
49 - 0 - 0.16917
50 - 0 - 0.18346
51 - 0 - 0.18946
52 - 0 - 0.19314
53 - 0 - 0.19712
54 - 0 - 0.21209
55 - 0 - 0.22191
56 - 0 - 0.23631
57 - 0 - 0.23983
58 - 0 - 0.24618
59 - 0 - 0.25305
60 - 0 - 0.25905
61 - 0 - 0.26897
62 - 0 - 0.27388
63 - 0 - 0.27508
64 - 0 - 0.27918
65 - 0 - 0.28873
66 - 0 - 0.29539
67 - 0 - 0.30232
68 - 0 - 0.30461
69 - 0 - 0.31217
70 - 0 - 0.31496
71 - 0 - 0.31975
72 - 0 - 0.32783
73 - 0 - 0.33776
74 - 0 - 0.33893
75 - 0 - 0.34816
76 - 0 - 0.35003
77 - 0 - 0.35982
78 - 0 - 0.36743
79 - 0 - 0.3765
80 - 0 - 0.37999
81 - 0 - 0.38582
82 - 0 - 0.39605
83 - 0 - 0.4037
84 - 0 - 0.40982
85 - 0 - 0.41669
86 - 0 - 0.42517
87 - 0 - 0.43641
88 - 0 - 0.44295
89 - 0 - 0.46159
90 - 0 - 0.46888
91 - 0 - 0.47722
92 - 0 - 0.48196
93 - 0 - 0.49044
94 - 0 - 0.49595
95 - 0 - 0.50567
96 - 0 - 0.54092
97 - 0 - 0.54672
98 - 0 - 0.55779
99 - 0 - 0.57331
100 - 0 - 0.57578
101 - 0 - 0.58989
102 - 0 - 0.61417
103 - 0 - 0.62765
104 - 0 - 0.64297
105 - 0 - 0.65167
106 - 0 - 0.67173
107 - 0 - 0.67806
108 - 0 - 0.6871
109 - 0 - 0.69248
110 - 0 - 0.70302
111 - 0 - 0.71636
112 - 0 - 0.72925
113 - 0 - 0.73685
114 - 0 - 0.7583
115 - 0 - 0.76619
116 - 0 - 0.77061
117 - 0 - 0.78339
118 - 0 - 0.78863
119 - 0 - 0.8042
120 - 0 - 0.8124
121 - 0 - 0.82696
122 - 0 - 0.83172
123 - 0 - 0.85024
124 - 0 - 0.85957
125 - 0 - 0.86764
126 - 0 - 0.8855
127 - 0 - 0.89707
128 - 0 - 0.90594
129 - 0 - 0.91568
130 - 0 - 0.92646
131 - 0 - 0.93025
132 - 0 - 0.9387
133 - 0 - 0.94946
134 - 0 - 0.95642
135 - 0 - 0.97072
136 - 0 - 0.9823
137 - 0 - 0.99522
138 - 0 - 1.01708
139 - 0 - 1.02439
140 - 0 - 1.03553
141 - 0 - 1.05766
142 - 0 - 1.065
143 - 0 - 1.08424
144 - 0 - 1.15271
145 - 0 - 1.16369
146 - 0 - 1.19622
147 - 0 - 1.20725
148 - 0 - 1.21133
149 - 0 - 1.23169
150 - 0 - 1.25605
151 - 0 - 1.30624
152 - 0 - 1.33423
153 - 0 - 1.33945
154 - 0 - 1.35702
155 - 0 - 1.37446
156 - 0 - 1.38485
157 - 0 - 1.40496
158 - 0 - 1.4304
159 - 0 - 1.4428
160 - 0 - 1.44794
161 - 0 - 1.465
162 - 0 - 1.4814
163 - 0 - 1.49196
164 - 0 - 1.51234
165 - 0 - 1.51635
166 - 0 - 1.54633
167 - 0 - 1.54716
168 - 0 - 1.56202
169 - 0 - 1.57087
170 - 0 - 1.57443
171 - 0 - 1.58584
172 - 0 - 1.59858
173 - 0 - 1.61777
174 - 0 - 1.62607
175 - 0 - 1.64649
176 - 0 - 1.64819
177 - 0 - 1.6553
178 - 0 - 1.66893
179 - 0 - 1.69467
180 - 0 - 1.71439
181 - 0 - 1.74297
182 - 0 - 1.74972
183 - 0 - 1.79756
184 - 0 - 1.81311
185 - 0 - 1.8393
186 - 0 - 1.85303
187 - 0 - 1.88562
188 - 0 - 1.94776
189 - 0 - 2.00045
190 - 0 - 2.00437
191 - 0 - 2.03924
192 - 0 - 2.07965
193 - 0 - 2.09083
194 - 0 - 2.10383
195 - 0 - 2.12378
196 - 0 - 2.12443
197 - 0 - 2.14425
198 - 0 - 2.15224
199 - 0 - 2.21749
200 - 0 - 2.22963
201 - 0 - 2.28395
202 - 0 - 2.28757
203 - 0 - 2.30488
204 - 0 - 2.31322
205 - 0 - 2.3497
206 - 0 - 2.37848
207 - 0 - 2.42432
208 - 0 - 2.43649
209 - 0 - 2.4527
210 - 0 - 2.46
211 - 0 - 2.5447
212 - 0 - 2.6596
213 - 0 - 2.68732
214 - 0 - 2.70642
215 - 0 - 2.72587
216 - 0 - 2.75454
217 - 0 - 2.77502
218 - 0 - 2.78404
219 - 0 - 2.79028
220 - 0 - 2.82174
221 - 0 - 2.8646
222 - 0 - 2.87142
223 - 0 - 2.88379
224 - 0 - 2.91313
225 - 0 - 2.93332
226 - 0 - 2.96704
227 - 0 - 2.99512
228 - 0 - 3.01456
229 - 0 - 3.03316
230 - 0 - 3.08446
231 - 0 - 3.14509
232 - 0 - 3.19412
233 - 0 - 3.22534
234 - 0 - 3.27456
235 - 0 - 3.29989
236 - 0 - 3.31671
237 - 0 - 3.33508
238 - 0 - 3.36876
239 - 0 - 3.37145
240 - 0 - 3.37854
241 - 0 - 3.41898
242 - 0 - 3.42199
243 - 0 - 3.45959
244 - 0 - 3.48037
245 - 0 - 3.53249
246 - 0 - 3.55304
247 - 0 - 3.56436
248 - 0 - 3.58335
249 - 0 - 3.61793
250 - 0 - 3.62474
251 - 0 - 3.6408
252 - 0 - 3.65275
253 - 0 - 3.66693
254 - 0 - 3.68053
255 - 0 - 3.70854
256 - 0 - 3.74448
257 - 0 - 3.75358
258 - 0 - 3.77964
259 - 0 - 3.78479
260 - 0 - 3.8079
261 - 0 - 3.82727
262 - 0 - 3.83458
263 - 0 - 3.85197
264 - 0 - 3.87061
265 - 0 - 3.91775
266 - 0 - 3.9385
267 - 0 - 3.95064
268 - 0 - 3.96134
269 - 0 - 4.01537
270 - 0 - 4.07205
271 - 0 - 4.09168
272 - 0 - 4.11783
273 - 0 - 4.12829
274 - 0 - 4.20578
275 - 0 - 4.23508
276 - 0 - 4.28978
277 - 0 - 4.34611
278 - 0 - 4.35072
279 - 0 - 4.38924
280 - 0 - 4.47858
281 - 0 - 4.63547
282 - 0 - 4.76607
283 - 0 - 4.85882
284 - 0 - 5.00479
285 - 0 - 5.0088
286 - 0 - 5.1409
287 - 0 - 5.16729
288 - 0 - 5.23212
289 - 0 - 5.31549
290 - 0 - 5.3863
291 - 0 - 5.4659
292 - 0 - 5.48828
293 - 0 - 6.4782
294 - 0 - 6.51196
295 - 0 - 6.52903
296 - 0 - 6.54931
297 - 0 - 6.57091
298 - 0 - 6.61118
299 - 0 - 6.65152
300 - 0 - 6.85156
301 - 0 - 6.88461
302 - 0 - 9.1616
303 - 0 - 9.18196
304 - 0 - 9.19784
305 - 0 - 9.28571
306 - 0 - 9.30152
307 - 0 - 9.30375
308 - 0 - 9.3238
309 - 0 - 9.39205
310 - 0 - 9.43239
311 - 0 - 9.60602
312 - 0 - 9.72341
313 - 0 - 9.74452
314 - 0 - 9.80624
315 - 0 - 9.91578
316 - 0 - 9.96857
317 - 0 - 23.77606
318 - 0 - 24.0013
319 - 0 - 24.16203
320 - 0 - 24.19995
321 - 0 - 24.23336
322 - 0 - 24.26402
323 - 0 - 24.32921
324 - 0 - 35.8479
325 - 0 - 66.97245
326 - 0 - 67.00289
327 - 0 - 67.04699
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C 1.08435  
2 C -0.23445  
3 C -0.25478  
4 C -0.24776  
5 C -0.27640  
6 C 0.08617  
7 C -0.39343  
8 N -0.84329  
9 H 0.33750  
10 H 0.36467  
11 H 0.17332  
12 H 0.17786  
13 H 0.19359  
14 F -0.38052  
15 F -0.40396  
16 F -0.38287  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.999003692 - -10.169595481
2 C1 Val(2S) 0.811472635 - -0.101931998
3 C1 Ryd(4S) 0.004207294 - 1.171044549
4 C1 Ryd(3S) 0.000092760 - 0.872419907
5 C1 Ryd(5S) 0.000038099 - 22.880055703
6 C1 Val(2p) 0.884650162 - 0.023091282
7 C1 Ryd(4p) 0.009320415 - 1.493353342
8 C1 Ryd(3p) 0.000476729 - 0.590083532
9 C1 Ryd(5p) 0.000109115 - 1.820176620
10 C1 Val(2p) 0.582952776 - 0.036328979
11 C1 Ryd(4p) 0.012899834 - 1.451826792
12 C1 Ryd(3p) 0.000673785 - 0.732312827
13 C1 Ryd(5p) 0.000119413 - 2.106007351
14 C1 Val(2p) 0.583299856 - 0.039358648
15 C1 Ryd(4p) 0.010699204 - 1.353537605
16 C1 Ryd(3p) 0.000730877 - 0.708897534
17 C1 Ryd(5p) 0.000075725 - 2.045146037
18 C1 Ryd(3d) 0.002246626 - 3.010128388
19 C1 Ryd(4d) 0.000181486 - 3.194812582
20 C1 Ryd(3d) 0.002625664 - 2.612051927
21 C1 Ryd(4d) 0.000080315 - 3.107169188
22 C1 Ryd(3d) 0.003667158 - 2.824221315
23 C1 Ryd(4d) 0.000290074 - 2.990507016
24 C1 Ryd(3d) 0.002101530 - 2.933139431
25 C1 Ryd(4d) 0.000160945 - 3.286425677
26 C1 Ryd(3d) 0.003241248 - 2.797331561
27 C1 Ryd(4d) 0.000233577 - 3.218777545
28 C2 Cor(1S) 1.998871694 - -9.874747806
29 C2 Val(2S) 0.916088464 - 0.006135723
30 C2 Ryd(3S) 0.001798010 - 1.152645765
31 C2 Ryd(4S) 0.000115899 - 1.580666642
32 C2 Ryd(5S) 0.000013476 - 21.556456152
33 C2 Val(2p) 1.050427442 - 0.069501969
34 C2 Ryd(4p) 0.006442467 - 1.230043982
35 C2 Ryd(3p) 0.000197845 - 0.917183063
36 C2 Ryd(5p) 0.000164846 - 3.617645054
37 C2 Val(2p) 1.132124617 - 0.087185441
38 C2 Ryd(4p) 0.007113870 - 1.194618051
39 C2 Ryd(3p) 0.000185108 - 0.904800196
40 C2 Ryd(5p) 0.000196185 - 3.677630787
41 C2 Val(2p) 1.109492247 - 0.049960280
42 C2 Ryd(4p) 0.002160175 - 0.764835845
43 C2 Ryd(3p) 0.000397574 - 0.587367782
44 C2 Ryd(5p) 0.000042189 - 2.961153317
45 C2 Ryd(3d) 0.001113484 - 1.914070746
46 C2 Ryd(4d) 0.000604652 - 3.892217530
47 C2 Ryd(3d) 0.001027303 - 1.265130240
48 C2 Ryd(4d) 0.000193471 - 3.597058063
49 C2 Ryd(3d) 0.000321442 - 1.270358304
50 C2 Ryd(4d) 0.000295135 - 3.574263065
51 C2 Ryd(3d) 0.001814711 - 2.138216067
52 C2 Ryd(4d) 0.000763165 - 3.928191299
53 C2 Ryd(3d) 0.002418769 - 1.799658573
54 C2 Ryd(4d) 0.000062738 - 3.742408982
55 C3 Cor(1S) 1.999037412 - -9.866659556
56 C3 Val(2S) 0.941400304 - 0.001675000
57 C3 Ryd(3S) 0.001382510 - 1.295598601
58 C3 Ryd(4S) 0.000154635 - 2.540795406
59 C3 Ryd(5S) 0.000009982 - 20.271678314
60 C3 Val(2p) 1.118754642 - 0.098219978
61 C3 Ryd(4p) 0.005229055 - 1.179892173
62 C3 Ryd(3p) 0.000613962 - 0.665132766
63 C3 Ryd(5p) 0.000132315 - 3.553108269
64 C3 Val(2p) 1.120761990 - 0.104502459
65 C3 Ryd(4p) 0.006075850 - 1.012517341
66 C3 Ryd(3p) 0.000526409 - 0.709090758
67 C3 Ryd(5p) 0.000109940 - 3.508314902
68 C3 Val(2p) 1.051705118 - 0.044790682
69 C3 Ryd(4p) 0.002996836 - 0.626193993
70 C3 Ryd(3p) 0.000748205 - 0.490087082
71 C3 Ryd(5p) 0.000029050 - 2.950437915
72 C3 Ryd(3d) 0.000785429 - 2.273602323
73 C3 Ryd(4d) 0.000875406 - 3.866345092
74 C3 Ryd(3d) 0.000206299 - 1.435877145
75 C3 Ryd(4d) 0.000216304 - 3.270728086
76 C3 Ryd(3d) 0.000377059 - 1.464750466
77 C3 Ryd(4d) 0.000090608 - 3.303629625
78 C3 Ryd(3d) 0.000729743 - 2.177009259
79 C3 Ryd(4d) 0.000415125 - 3.791016638
80 C3 Ryd(3d) 0.001345969 - 1.898564648
81 C3 Ryd(4d) 0.000068804 - 3.532189192
82 C4 Cor(1S) 1.999142672 - -9.872787804
83 C4 Val(2S) 0.939718802 - -0.007588588
84 C4 Ryd(3S) 0.001517227 - 1.268706722
85 C4 Ryd(4S) 0.000165927 - 1.575653456
86 C4 Ryd(5S) 0.000008786 - 20.949915654
87 C4 Val(2p) 1.075075853 - 0.099989114
88 C4 Ryd(4p) 0.005159848 - 0.925731994
89 C4 Ryd(3p) 0.000393826 - 0.728446995
90 C4 Ryd(5p) 0.000187574 - 3.517402396
91 C4 Val(2p) 1.145069979 - 0.099931052
92 C4 Ryd(4p) 0.006221042 - 1.218325703
93 C4 Ryd(3p) 0.000513939 - 0.542808491
94 C4 Ryd(5p) 0.000073572 - 3.509892406
95 C4 Val(2p) 1.065923396 - 0.040295963
96 C4 Ryd(4p) 0.002640843 - 0.608309726
97 C4 Ryd(3p) 0.000644335 - 0.489330578
98 C4 Ryd(5p) 0.000018917 - 2.900276291
99 C4 Ryd(3d) 0.000728594 - 2.125396099
100 C4 Ryd(4d) 0.000554791 - 3.830967580
101 C4 Ryd(3d) 0.000150358 - 1.411880376
102 C4 Ryd(4d) 0.000252363 - 3.382887655
103 C4 Ryd(3d) 0.000378077 - 1.301292343
104 C4 Ryd(4d) 0.000136159 - 3.311618709
105 C4 Ryd(3d) 0.000900537 - 2.239708487
106 C4 Ryd(4d) 0.000760840 - 3.857624111
107 C4 Ryd(3d) 0.001370664 - 1.849321655
108 C4 Ryd(4d) 0.000052260 - 3.597849009
109 C5 Cor(1S) 1.999002371 - -9.866851299
110 C5 Val(2S) 0.942038388 - -0.000465957
111 C5 Ryd(3S) 0.001292958 - 1.302811708
112 C5 Ryd(4S) 0.000085809 - 2.772213319
113 C5 Ryd(5S) 0.000013189 - 20.098176217
114 C5 Val(2p) 1.147446403 - 0.098156458
115 C5 Ryd(4p) 0.006148911 - 1.209579852
116 C5 Ryd(3p) 0.000408558 - 0.613514396
117 C5 Ryd(5p) 0.000072009 - 3.498008363
118 C5 Val(2p) 1.090812888 - 0.098287382
119 C5 Ryd(4p) 0.005541575 - 0.913740231
120 C5 Ryd(3p) 0.000549483 - 0.756354417
121 C5 Ryd(5p) 0.000183384 - 3.478035986
122 C5 Val(2p) 1.074530796 - 0.041723577
123 C5 Ryd(4p) 0.002403786 - 0.617064022
124 C5 Ryd(3p) 0.000682942 - 0.491473468
125 C5 Ryd(5p) 0.000038140 - 2.913755175
126 C5 Ryd(3d) 0.000692050 - 2.178150443
127 C5 Ryd(4d) 0.000434408 - 3.808454362
128 C5 Ryd(3d) 0.000368096 - 1.358720499
129 C5 Ryd(4d) 0.000155875 - 3.262379074
130 C5 Ryd(3d) 0.000241527 - 1.473211803
131 C5 Ryd(4d) 0.000165948 - 3.344956070
132 C5 Ryd(3d) 0.000914531 - 2.190724949
133 C5 Ryd(4d) 0.000835073 - 3.843693922
134 C5 Ryd(3d) 0.001303637 - 1.884097353
135 C5 Ryd(4d) 0.000040631 - 3.561359634
136 C6 Cor(1S) 1.998955611 - -9.898776603
137 C6 Val(2S) 0.872209601 - 0.026852541
138 C6 Ryd(3S) 0.005150068 - 0.759129188
139 C6 Ryd(4S) 0.000783612 - 1.021208655
140 C6 Ryd(5S) 0.000017826 - 21.799493330
141 C6 Val(2p) 1.034102965 - 0.101384595
142 C6 Ryd(4p) 0.005777777 - 1.127259798
143 C6 Ryd(3p) 0.000652164 - 0.779724260
144 C6 Ryd(5p) 0.000208291 - 3.611950740
145 C6 Val(2p) 0.985916437 - 0.117785503
146 C6 Ryd(4p) 0.008327613 - 1.094780746
147 C6 Ryd(3p) 0.000228290 - 0.598786190
148 C6 Ryd(5p) 0.000198484 - 3.648768402
149 C6 Val(2p) 0.993023297 - 0.060474730
150 C6 Ryd(4p) 0.001322267 - 0.731328882
151 C6 Ryd(3p) 0.000561735 - 0.493215357
152 C6 Ryd(5p) 0.000056858 - 2.919735428
153 C6 Ryd(3d) 0.001242064 - 2.391596130
154 C6 Ryd(4d) 0.000810581 - 3.791144416
155 C6 Ryd(3d) 0.000493135 - 1.890471519
156 C6 Ryd(4d) 0.000151838 - 3.046106017
157 C6 Ryd(3d) 0.000315846 - 1.895669762
158 C6 Ryd(4d) 0.000311967 - 3.030404930
159 C6 Ryd(3d) 0.000706123 - 2.306213104
160 C6 Ryd(4d) 0.000675462 - 3.723079091
161 C6 Ryd(3d) 0.001289487 - 2.301878768
162 C6 Ryd(4d) 0.000340645 - 3.430780997
163 C7 Cor(1S) 1.999016648 - -9.803095859
164 C7 Val(2S) 1.193718670 - -0.014603676
165 C7 Ryd(3S) 0.019606861 - 0.636479365
166 C7 Ryd(4S) 0.000437406 - 1.718149490
167 C7 Ryd(5S) 0.000007325 - 22.449284239
168 C7 Val(2p) 0.964460340 - 0.195059689
169 C7 Ryd(4p) 0.005248581 - 1.182632565
170 C7 Ryd(3p) 0.000348851 - 0.714088157
171 C7 Ryd(5p) 0.000131465 - 3.718161642
172 C7 Val(2p) 1.448497779 - 0.115715799
173 C7 Ryd(4p) 0.007939417 - 0.917705459
174 C7 Ryd(3p) 0.000214241 - 0.697339123
175 C7 Ryd(5p) 0.000058748 - 3.603616506
176 C7 Val(2p) 0.738540386 - 0.126284511
177 C7 Ryd(4p) 0.001003095 - 0.800984289
178 C7 Ryd(3p) 0.000297584 - 0.515951068
179 C7 Ryd(5p) 0.000030441 - 3.009206809
180 C7 Ryd(3d) 0.002629028 - 2.006571973
181 C7 Ryd(4d) 0.000368593 - 4.001548045
182 C7 Ryd(3d) 0.000264885 - 1.290854597
183 C7 Ryd(4d) 0.000193980 - 3.596564647
184 C7 Ryd(3d) 0.002332155 - 1.246695264
185 C7 Ryd(4d) 0.000062058 - 3.592262902
186 C7 Ryd(3d) 0.003637320 - 1.885812869
187 C7 Ryd(4d) 0.000467041 - 3.987580887
188 C7 Ryd(3d) 0.003904409 - 1.639078404
189 C7 Ryd(4d) 0.000010597 - 3.728709424
190 N8 Cor(1S) 1.999459544 - -13.982498671
191 N8 Val(2S) 1.393232801 - -0.415914298
192 N8 Ryd(4S) 0.000289018 - 1.912851085
193 N8 Ryd(3S) 0.000106625 - 0.987412374
194 N8 Ryd(5S) 0.000001582 - 35.275980790
195 N8 Val(2p) 1.384110472 - -0.052405202
196 N8 Ryd(3p) 0.004506826 - 0.635158278
197 N8 Ryd(4p) 0.000715868 - 0.939748423
198 N8 Ryd(5p) 0.000051652 - 4.598468054
199 N8 Val(2p) 1.325815892 - -0.048463829
200 N8 Ryd(3p) 0.003645208 - 0.728488661
201 N8 Ryd(4p) 0.000654476 - 0.928001358
202 N8 Ryd(5p) 0.000042828 - 4.634533792
203 N8 Val(2p) 1.709679266 - -0.075732823
204 N8 Ryd(3p) 0.007922946 - 0.521362879
205 N8 Ryd(4p) 0.000246811 - 0.861838434
206 N8 Ryd(5p) 0.000023889 - 4.136835163
207 N8 Ryd(3d) 0.002634235 - 1.852179450
208 N8 Ryd(4d) 0.000029027 - 5.231306279
209 N8 Ryd(3d) 0.003761141 - 1.662137649
210 N8 Ryd(4d) 0.000061055 - 5.132563340
211 N8 Ryd(3d) 0.002230234 - 1.457068608
212 N8 Ryd(4d) 0.000015073 - 5.010657300
213 N8 Ryd(3d) 0.000354200 - 1.658570299
214 N8 Ryd(4d) 0.000132475 - 5.184631909
215 N8 Ryd(3d) 0.003516065 - 1.570733945
216 N8 Ryd(4d) 0.000045824 - 5.056104305
217 H9 Val(1S) 0.660196616 - 0.210529995
218 H9 Ryd(2S) 0.001061059 - 0.768650305
219 H9 Ryd(3S) 0.000338492 - 2.434743357
220 H9 Ryd(2p) 0.000244575 - 2.649907975
221 H9 Ryd(2p) 0.000224838 - 2.255863289
222 H9 Ryd(2p) 0.000432745 - 2.425750117
223 H10 Val(1S) 0.627453162 - 0.241951894
224 H10 Ryd(2S) 0.006805610 - 0.542879535
225 H10 Ryd(3S) 0.000340793 - 2.315137924
226 H10 Ryd(2p) 0.000236551 - 2.431400326
227 H10 Ryd(2p) 0.000176356 - 2.782359760
228 H10 Ryd(2p) 0.000320048 - 2.148442046
229 H11 Val(1S) 0.824404958 - 0.173266937
230 H11 Ryd(2S) 0.001335130 - 1.397365064
231 H11 Ryd(3S) 0.000192797 - 1.918250019
232 H11 Ryd(2p) 0.000444226 - 3.007907950
233 H11 Ryd(2p) 0.000065632 - 2.733243165
234 H11 Ryd(2p) 0.000236554 - 2.084081598
235 H12 Val(1S) 0.820470342 - 0.176054262
236 H12 Ryd(2S) 0.000801793 - 1.196513918
237 H12 Ryd(3S) 0.000150032 - 2.126219831
238 H12 Ryd(2p) 0.000087912 - 2.726790090
239 H12 Ryd(2p) 0.000402810 - 2.989102660
240 H12 Ryd(2p) 0.000227950 - 2.056029255
241 H13 Val(1S) 0.804297683 - 0.193974217
242 H13 Ryd(2S) 0.001191774 - 1.425302486
243 H13 Ryd(3S) 0.000158385 - 1.939360127
244 H13 Ryd(2p) 0.000256883 - 2.880875169
245 H13 Ryd(2p) 0.000268874 - 2.893853465
246 H13 Ryd(2p) 0.000234260 - 2.087433688
247 F14 Cor(1S) 1.999914111 - -24.289823045
248 F14 Val(2S) 1.851635008 - -1.150727966
249 F14 Ryd(3S) 0.001064860 - 1.006965405
250 F14 Ryd(4S) 0.000305657 - 2.450168185
251 F14 Ryd(5S) 0.000000182 - 66.751402474
252 F14 Val(2p) 1.925725564 - -0.282915513
253 F14 Ryd(3p) 0.001380883 - 0.735861609
254 F14 Ryd(4p) 0.000052376 - 1.768619665
255 F14 Ryd(5p) 0.000017018 - 6.204154724
256 F14 Val(2p) 1.847647118 - -0.286829505
257 F14 Ryd(3p) 0.000697204 - 0.677659492
258 F14 Ryd(4p) 0.000092039 - 1.809437392
259 F14 Ryd(5p) 0.000017573 - 6.166027408
260 F14 Val(2p) 1.745628962 - -0.293377656
261 F14 Ryd(3p) 0.000737156 - 0.692342416
262 F14 Ryd(4p) 0.000141550 - 1.833825139
263 F14 Ryd(5p) 0.000032846 - 6.123597583
264 F14 Ryd(3d) 0.000616828 - 2.388679354
265 F14 Ryd(4d) 0.000007024 - 9.296697675
266 F14 Ryd(3d) 0.001042424 - 2.543019721
267 F14 Ryd(4d) 0.000009871 - 9.374688434
268 F14 Ryd(3d) 0.001515456 - 2.767518676
269 F14 Ryd(4d) 0.000021767 - 9.488651839
270 F14 Ryd(3d) 0.000632589 - 2.398468173
271 F14 Ryd(4d) 0.000007848 - 9.300637708
272 F14 Ryd(3d) 0.001558468 - 2.674983831
273 F14 Ryd(4d) 0.000020453 - 9.452013150
274 F15 Cor(1S) 1.999922693 - -24.300208020
275 F15 Val(2S) 1.855429888 - -1.157966782
276 F15 Ryd(3S) 0.001378058 - 1.046541090
277 F15 Ryd(4S) 0.000153501 - 2.551490620
278 F15 Ryd(5S) 0.000000201 - 66.747007784
279 F15 Val(2p) 1.837577770 - -0.295875488
280 F15 Ryd(3p) 0.001042671 - 0.715864598
281 F15 Ryd(4p) 0.000075164 - 1.861560218
282 F15 Ryd(5p) 0.000019391 - 6.140218792
283 F15 Val(2p) 1.753530357 - -0.299788256
284 F15 Ryd(3p) 0.000920404 - 0.631074987
285 F15 Ryd(4p) 0.000182865 - 1.901250502
286 F15 Ryd(5p) 0.000022210 - 6.153111446
287 F15 Val(2p) 1.947717133 - -0.290611551
288 F15 Ryd(3p) 0.000879466 - 0.555080026
289 F15 Ryd(4p) 0.000069558 - 1.829681220
290 F15 Ryd(5p) 0.000009202 - 6.134615898
291 F15 Ryd(3d) 0.001482958 - 2.834276414
292 F15 Ryd(4d) 0.000017103 - 9.514670697
293 F15 Ryd(3d) 0.000642851 - 2.318350571
294 F15 Ryd(4d) 0.000007727 - 9.254760154
295 F15 Ryd(3d) 0.000935073 - 2.435282364
296 F15 Ryd(4d) 0.000010416 - 9.333297656
297 F15 Ryd(3d) 0.001370072 - 2.584458931
298 F15 Ryd(4d) 0.000012926 - 9.416461949
299 F15 Ryd(3d) 0.000539913 - 2.466513143
300 F15 Ryd(4d) 0.000009853 - 9.327641887
301 F16 Cor(1S) 1.999914944 - -24.290320608
302 F16 Val(2S) 1.852560575 - -1.150875110
303 F16 Ryd(3S) 0.001062001 - 1.017736214
304 F16 Ryd(4S) 0.000302468 - 2.423610034
305 F16 Ryd(5S) 0.000000180 - 66.755063091
306 F16 Val(2p) 1.927155148 - -0.282936161
307 F16 Ryd(3p) 0.001403259 - 0.724938773
308 F16 Ryd(4p) 0.000050189 - 1.768451970
309 F16 Ryd(5p) 0.000016919 - 6.210353176
310 F16 Val(2p) 1.851711089 - -0.286624284
311 F16 Ryd(3p) 0.000720312 - 0.670519581
312 F16 Ryd(4p) 0.000092282 - 1.803142829
313 F16 Ryd(5p) 0.000016586 - 6.170661091
314 F16 Val(2p) 1.741534812 - -0.293493795
315 F16 Ryd(3p) 0.000745104 - 0.683400658
316 F16 Ryd(4p) 0.000144955 - 1.834505855
317 F16 Ryd(5p) 0.000034008 - 6.131647133
318 F16 Ryd(3d) 0.000592224 - 2.381524343
319 F16 Ryd(4d) 0.000006787 - 9.292983849
320 F16 Ryd(3d) 0.001054460 - 2.543433211
321 F16 Ryd(4d) 0.000009671 - 9.375723941
322 F16 Ryd(3d) 0.001519571 - 2.762117051
323 F16 Ryd(4d) 0.000021324 - 9.486171221
324 F16 Ryd(3d) 0.000607878 - 2.391714480
325 F16 Ryd(4d) 0.000007445 - 9.297060666
326 F16 Ryd(3d) 0.001569739 - 2.683400279
327 F16 Ryd(4d) 0.000020520 - 9.455505386

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(C2) 1s(39.16%)p1.55(60.80%)d0.00(0.03%) 1.060853661 - -0.011558263
2 BD(1)C2(C1) 2s(24.88%)p3.01(74.97%)d0.01(0.14%) 0.994458532 - 0.023244448
3 BD(1)C1(F14) 1s(20.65%)p3.83(78.99%)d0.02(0.36%) 0.605402186 - 0.019181512
4 BD(1)F14(C1) 14s(27.43%)p2.64(72.45%)d0.00(0.12%) 1.487743755 - -0.516278311
5 BD(1)C1(F15) 1s(19.53%)p4.10(80.13%)d0.02(0.33%) 0.591953106 - 0.013305980
6 BD(1)F15(C1) 15s(27.28%)p2.66(72.60%)d0.00(0.12%) 1.497403317 - -0.520010899
7 BD(1)C1(F16) 1s(20.56%)p3.85(79.08%)d0.02(0.36%) 0.606034871 - 0.018416749
8 BD(1)F16(C1) 16s(27.31%)p2.66(72.56%)d0.00(0.13%) 1.488814934 - -0.515096394
9 BD(1)C2(C3) 2s(36.32%)p1.75(63.61%)d0.00(0.07%) 1.017006549 - 0.083398744
10 BD(1)C3(C2) 3s(35.55%)p1.81(64.36%)d0.00(0.09%) 1.001030842 - 0.099062226
11 BD(1)C2(C7) 2s(38.63%)p1.59(61.26%)d0.00(0.11%) 1.091832923 - 0.066594918
12 BD(1)C7(C2) 7s(34.70%)p1.87(65.03%)d0.01(0.28%) 0.887561535 - 0.187624693
13 BD(2)C2(C7) 2s(0.00%)p1.00(99.99%)d0.00(0.01%) 1.109725100 - 0.049884945
14 BD(2)C7(C2) 7s(0.01%)p99.99(99.68%)d27.71(0.31%) 0.741538733 - 0.131023931
15 BD(1)C3(C4) 3s(35.98%)p1.78(63.91%)d0.00(0.11%) 0.995081090 - 0.098087802
16 BD(1)C4(C3) 4s(36.38%)p1.75(63.50%)d0.00(0.12%) 0.998170513 - 0.095171899
17 BD(2)C3(C4) 3s(0.00%)p1.00(99.98%)d0.00(0.02%) 1.052980572 - 0.043672362
18 BD(2)C4(C3) 4s(0.00%)p1.00(99.98%)d0.00(0.02%) 1.067512134 - 0.038769860
19 BD(1)C3(H13) 3s(28.33%)p2.53(71.63%)d0.00(0.04%) 1.190964764 - 0.026907603
20 BD(1)H13(C3) 13s(99.96%)p0.00(0.04%) 0.804662068 - 0.196837616
21 BD(1)C4(C5) 4s(35.91%)p1.78(63.98%)d0.00(0.11%) 0.995444921 - 0.092323810
22 BD(1)C5(C4) 5s(35.97%)p1.78(63.92%)d0.00(0.11%) 0.997566790 - 0.092879583
23 BD(1)C4(H12) 4s(27.58%)p2.62(72.38%)d0.00(0.04%) 1.173699283 - 0.024226714
24 BD(1)H12(C4) 12s(99.96%)p0.00(0.04%) 0.820849707 - 0.178235126
25 BD(1)C5(C6) 5s(36.43%)p1.74(63.48%)d0.00(0.09%) 1.015493064 - 0.096755862
26 BD(1)C6(C5) 6s(35.79%)p1.79(64.14%)d0.00(0.07%) 1.003782198 - 0.095096933
27 BD(2)C5(C6) 5s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.076316533 - 0.039748923
28 BD(2)C6(C5) 6s(0.01%)p99.99(99.96%)d2.33(0.03%) 0.993998096 - 0.060383979
29 BD(1)C5(H11) 5s(27.46%)p2.64(72.49%)d0.00(0.04%) 1.173457532 - 0.025925002
30 BD(1)H11(C5) 11s(99.96%)p0.00(0.04%) 0.824796046 - 0.176308132
31 BD(1)C6(C7) 6s(38.07%)p1.62(61.85%)d0.00(0.09%) 1.085933772 - 0.069565609
32 BD(1)C7(C6) 7s(32.81%)p2.04(66.87%)d0.01(0.32%) 0.899938977 - 0.181650870
33 BD(1)C6(N8) 6s(25.91%)p2.86(74.00%)d0.00(0.09%) 0.807200790 - 0.094398555
34 BD(1)N8(C6) 8s(35.96%)p1.78(63.85%)d0.01(0.19%) 1.226549306 - -0.145264353
35 BD(1)N8(H9) 8s(22.93%)p3.35(76.82%)d0.01(0.25%) 1.335384225 - -0.134593939
36 BD(1)H9(N8) 9s(99.97%)p0.00(0.03%) 0.660410685 - 0.214573255
37 BD(1)N8(H10) 8s(24.14%)p3.13(75.62%)d0.01(0.24%) 1.375815920 - -0.139453447
38 BD(1)H10(N8) 10s(99.97%)p0.00(0.03%) 0.627571673 - 0.249539505
39 CR(1)C1 s(100.00%)p0.00(0.00%) 1.999012416 - -10.169563393
40 CR(1)C2 s(100.00%)p0.00(0.00%) 1.998874253 - -9.875003797
41 CR(1)C3 s(100.00%)p0.00(0.00%) 1.999040520 - -9.866951957
42 CR(1)C4 s(100.00%)p0.00(0.00%) 1.999145896 - -9.873033504
43 CR(1)C5 s(100.00%)p0.00(0.00%) 1.999005507 - -9.867235507
44 CR(1)C6 s(100.00%)p0.00(0.00%) 1.998961546 - -9.898795217
45 CR(1)C7 s(100.00%)p0.00(0.00%) 1.999013947 - -9.802886973
46 CR(1)N8 s(100.00%)p0.00(0.00%) 1.999457051 - -13.982616996
47 CR(1)F14 s(100.00%) 1.999913835 - -24.290546893
48 CR(1)F15 s(100.00%) 1.999922465 - -24.300849301
49 CR(1)F16 s(100.00%) 1.999914672 - -24.291038846
50 LP(1)C7 s(33.67%)p1.96(66.10%)d0.01(0.23%) 1.852546148 - -0.036172845
51 LP(1)N8 s(16.81%)p4.94(83.03%)d0.01(0.15%) 1.898254651 - -0.166416904
52 LP(1)F14 s(72.52%)p0.38(27.48%)d0.00(0.00%) 1.989613025 - -0.932966541
53 LP(2)F14 s(0.05%)p99.99(99.88%)d1.53(0.07%) 1.958056167 - -0.283144216
54 LP(3)F14 s(0.00%)p1.00(99.92%)d0.00(0.08%) 1.941198857 - -0.282647100
55 LP(1)F15 s(72.64%)p0.38(27.36%)d0.00(0.00%) 1.990178107 - -0.941753893
56 LP(2)F15 s(0.08%)p99.99(99.86%)d0.76(0.06%) 1.963047747 - -0.292201056
57 LP(3)F15 s(0.00%)p1.00(99.93%)d0.00(0.07%) 1.949213409 - -0.291307531
58 LP(1)F16 s(72.63%)p0.38(27.37%)d0.00(0.00%) 1.989671016 - -0.933956566
59 LP(2)F16 s(0.06%)p99.99(99.87%)d1.22(0.07%) 1.958579155 - -0.283374539
60 LP(3)F16 s(0.00%)p1.00(99.92%)d0.00(0.08%) 1.941814225 - -0.282704166
61 RY*(1)C1 s(0.05%)p99.99(95.23%)d93.02(4.72%) 0.013457258 - 1.385949438
62 RY*(2)C1 s(0.00%)p1.00(86.36%)d0.16(13.64%) 0.012517782 - 1.357853700
63 RY*(3)C1 s(11.14%)p7.50(83.52%)d0.48(5.34%) 0.010286137 - 1.336543910
64 RY*(4)C1 s(52.51%)p0.27(14.22%)d0.63(33.27%) 0.004112202 - 1.348526248
65 RY*(5)C1 s(7.06%)p2.53(17.84%)d10.64(75.10%) 0.003818975 - 2.162511241
66 RY*(6)C1 s(0.03%)p99.99(35.59%)d99.99(64.38%) 0.003287919 - 2.135464388
67 RY*(7)C1 s(0.00%)p1.00(0.53%)d99.99(99.47%) 0.002352944 - 2.359355333
68 RY*(8)C1 s(0.21%)p7.67(1.62%)d99.99(98.17%) 0.001467216 - 2.929649115
69 RY*(9)C1 s(29.15%)p0.74(21.62%)d1.69(49.23%) 0.000741748 - 2.403862260
70 RY*(10)C1 s(5.39%)p13.61(73.34%)d3.95(21.27%) 0.000150310 - 2.997483435
71 RY*(11)C1 s(4.36%)p17.30(75.40%)d4.64(20.24%) 0.000075947 - 2.750273902
72 RY*(12)C1 s(0.66%)p99.99(74.12%)d38.03(25.21%) 0.000059544 - 1.623367456
73 RY*(13)C1 s(12.36%)p5.49(67.82%)d1.60(19.83%) 0.000020032 - 2.713894736
74 RY*(14)C1 s(0.68%)p8.08(5.51%)d99.99(93.80%) 0.000005496 - 3.033457888
75 RY*(15)C1 s(85.71%)p0.12(10.28%)d0.05(4.01%) 0.000003143 - 1.001471001
76 RY*(16)C1 s(0.01%)p1.00(10.06%)d8.94(89.93%) 0.000006348 - 2.938303160
77 RY*(17)C1 s(81.95%)p0.13(10.96%)d0.09(7.09%) 0.000005715 - 18.731629618
78 RY*(18)C1 s(0.01%)p1.00(2.16%)d45.32(97.83%) 0.000002689 - 3.034293021
79 RY*(19)C1 s(0.00%)p1.00(91.06%)d0.10(8.94%) 0.000010927 - 2.175307779
80 RY*(20)C1 s(0.35%)p98.98(34.17%)d99.99(65.48%) 0.000001299 - 2.578430706
81 RY*(21)C1 s(8.37%)p9.37(78.41%)d1.58(13.22%) 0.000005409 - 2.883998683
82 RY*(22)C1 s(0.10%)p99.99(11.17%)d99.99(88.73%) 0.000005714 - 3.275268258
83 RY*(1)C2 s(0.38%)p99.99(97.92%)d4.41(1.69%) 0.007403329 - 1.373601941
84 RY*(2)C2 s(8.26%)p9.57(79.05%)d1.54(12.69%) 0.006665715 - 1.341131140
85 RY*(3)C2 s(0.00%)p1.00(82.15%)d0.22(17.85%) 0.002633667 - 0.836237806
86 RY*(4)C2 s(10.00%)p1.15(11.46%)d7.85(78.54%) 0.001415882 - 1.855936892
87 RY*(5)C2 s(62.66%)p0.16(10.03%)d0.44(27.31%) 0.001058252 - 1.609422069
88 RY*(6)C2 s(5.58%)p2.01(11.19%)d14.92(83.23%) 0.000965812 - 1.639504654
89 RY*(7)C2 s(3.03%)p3.37(10.23%)d28.60(86.73%) 0.000875891 - 2.174841037
90 RY*(8)C2 s(3.80%)p3.23(12.26%)d22.11(83.94%) 0.000404551 - 2.735618359
91 RY*(9)C2 s(1.14%)p52.65(60.01%)d34.09(38.85%) 0.000221536 - 1.993973508
92 RY*(10)C2 s(0.09%)p99.99(34.29%)d99.99(65.62%) 0.000230191 - 2.466803904
93 RY*(11)C2 s(12.71%)p0.81(10.29%)d6.06(77.00%) 0.000204553 - 2.818032219
94 RY*(12)C2 s(4.42%)p1.49(6.57%)d20.13(89.01%) 0.000186721 - 1.859496761
95 RY*(13)C2 s(0.65%)p99.99(71.90%)d42.30(27.45%) 0.000090632 - 2.906525425
96 RY*(14)C2 s(2.48%)p22.62(56.03%)d16.75(41.50%) 0.000070301 - 2.073139359
97 RY*(15)C2 s(20.18%)p1.66(33.47%)d2.30(46.35%) 0.000040031 - 2.110028300
98 RY*(16)C2 s(1.49%)p42.73(63.67%)d23.38(34.84%) 0.000020604 - 2.398612987
99 RY*(17)C2 s(16.01%)p4.11(65.88%)d1.13(18.11%) 0.000020617 - 2.919436778
100 RY*(18)C2 s(41.72%)p0.78(32.68%)d0.61(25.60%) 0.000021820 - 2.050547043
101 RY*(19)C2 s(0.57%)p99.99(57.60%)d73.42(41.83%) 0.000002267 - 3.197584744
102 RY*(20)C2 s(7.65%)p11.17(85.48%)d0.90(6.87%) 0.000009261 - 2.011498278
103 RY*(21)C2 s(96.21%)p0.01(0.86%)d0.03(2.93%) 0.000003953 - 21.273032857
104 RY*(22)C2 s(1.13%)p6.33(7.15%)d81.11(91.72%) 0.000004030 - 3.611529792
105 RY*(1)C3 s(1.35%)p65.47(88.67%)d7.37(9.98%) 0.006602855 - 1.503170015
106 RY*(2)C3 s(5.62%)p16.56(93.06%)d0.24(1.33%) 0.003244508 - 1.095441453
107 RY*(3)C3 s(0.03%)p99.99(87.93%)d99.99(12.04%) 0.002579815 - 0.540891436
108 RY*(4)C3 s(55.26%)p0.19(10.76%)d0.62(33.99%) 0.001140112 - 1.802472667
109 RY*(5)C3 s(0.58%)p39.92(22.96%)d99.99(76.46%) 0.000598230 - 2.455087052
110 RY*(6)C3 s(5.66%)p9.17(51.88%)d7.51(42.46%) 0.000581047 - 1.939337709
111 RY*(7)C3 s(0.37%)p99.99(52.48%)d99.99(47.15%) 0.000269048 - 1.857122308
112 RY*(8)C3 s(14.80%)p3.04(44.94%)d2.72(40.25%) 0.000225245 - 2.479610571
113 RY*(9)C3 s(16.55%)p1.46(24.20%)d3.58(59.25%) 0.000160263 - 1.987803609
114 RY*(10)C3 s(17.28%)p1.06(18.25%)d3.73(64.47%) 0.000078794 - 1.775409027
115 RY*(11)C3 s(13.17%)p2.03(26.72%)d4.56(60.11%) 0.000052523 - 4.262384256
116 RY*(12)C3 s(0.33%)p55.24(18.05%)d99.99(81.62%) 0.000048062 - 1.391412941
117 RY*(13)C3 s(0.34%)p64.19(21.63%)d99.99(78.04%) 0.000027751 - 2.252486975
118 RY*(14)C3 s(7.82%)p1.33(10.43%)d10.45(81.75%) 0.000029146 - 3.064040420
119 RY*(15)C3 s(8.70%)p7.23(62.86%)d3.27(28.44%) 0.000005188 - 2.978005466
120 RY*(16)C3 s(0.01%)p1.00(17.61%)d4.68(82.38%) 0.000002600 - 2.968167014
121 RY*(17)C3 s(6.80%)p11.18(75.96%)d2.54(17.24%) 0.000011780 - 3.122350120
122 RY*(18)C3 s(0.04%)p99.99(44.63%)d99.99(55.33%) 0.000008705 - 1.031189581
123 RY*(19)C3 s(0.01%)p1.00(91.63%)d0.09(8.36%) 0.000000271 - 2.877399976
124 RY*(20)C3 s(51.71%)p0.61(31.53%)d0.32(16.76%) 0.000007914 - 2.006008568
125 RY*(21)C3 s(93.41%)p0.02(1.61%)d0.05(4.97%) 0.000004353 - 18.751562818
126 RY*(22)C3 s(0.31%)p7.60(2.35%)d99.99(97.34%) 0.000002962 - 3.656956539
127 RY*(1)C4 s(0.83%)p99.99(86.07%)d15.84(13.10%) 0.006693906 - 1.372170888
128 RY*(2)C4 s(0.19%)p99.99(99.54%)d1.37(0.27%) 0.002240759 - 1.380295105
129 RY*(3)C4 s(0.21%)p99.99(83.93%)d77.12(15.87%) 0.001999856 - 0.535086685
130 RY*(4)C4 s(60.28%)p0.11(6.33%)d0.55(33.39%) 0.001341376 - 1.808577923
131 RY*(5)C4 s(0.14%)p36.41(5.17%)d99.99(94.69%) 0.000503684 - 2.947675059
132 RY*(6)C4 s(0.27%)p99.99(38.57%)d99.99(61.16%) 0.000416165 - 2.246589797
133 RY*(7)C4 s(42.25%)p0.55(23.22%)d0.82(34.53%) 0.000170142 - 2.443362223
134 RY*(8)C4 s(23.51%)p1.15(27.11%)d2.10(49.37%) 0.000102179 - 1.817288019
135 RY*(9)C4 s(9.47%)p3.55(33.62%)d6.01(56.91%) 0.000081717 - 1.750733992
136 RY*(10)C4 s(21.82%)p1.30(28.45%)d2.28(49.73%) 0.000058487 - 2.038476355
137 RY*(11)C4 s(5.56%)p6.19(34.42%)d10.80(60.02%) 0.000033736 - 3.230916424
138 RY*(12)C4 s(16.64%)p3.50(58.27%)d1.51(25.08%) 0.000041739 - 2.167778333
139 RY*(13)C4 s(0.23%)p32.25(7.35%)d99.99(92.42%) 0.000028609 - 1.413124427
140 RY*(14)C4 s(1.00%)p19.09(19.12%)d79.74(79.88%) 0.000035256 - 2.706755296
141 RY*(15)C4 s(1.57%)p43.20(67.95%)d19.38(30.47%) 0.000016491 - 2.275620917
142 RY*(16)C4 s(0.03%)p99.99(94.39%)d99.99(5.58%) 0.000003148 - 2.925120684
143 RY*(17)C4 s(10.32%)p5.22(53.90%)d3.47(35.78%) 0.000002040 - 3.167984755
144 RY*(18)C4 s(0.03%)p99.99(6.64%)d99.99(93.33%) 0.000001094 - 3.325336294
145 RY*(19)C4 s(93.42%)p0.04(3.76%)d0.03(2.82%) 0.000002296 - 19.894636420
146 RY*(20)C4 s(0.34%)p99.99(61.68%)d99.99(37.98%) 0.000004047 - 0.876828570
147 RY*(21)C4 s(11.27%)p5.19(58.44%)d2.69(30.29%) 0.000010778 - 1.146125713
148 RY*(22)C4 s(0.73%)p3.03(2.21%)d99.99(97.06%) 0.000000932 - 3.655243518
149 RY*(1)C5 s(0.67%)p99.99(89.35%)d14.96(9.98%) 0.006499272 - 1.426641327
150 RY*(2)C5 s(6.09%)p14.86(90.53%)d0.55(3.38%) 0.003428534 - 1.161865224
151 RY*(3)C5 s(0.85%)p99.99(87.06%)d14.14(12.09%) 0.001503965 - 0.626582043
152 RY*(4)C5 s(39.81%)p0.49(19.44%)d1.02(40.74%) 0.001081132 - 1.779463408
153 RY*(5)C5 s(4.92%)p4.69(23.06%)d14.63(72.02%) 0.000668342 - 1.983898732
154 RY*(6)C5 s(20.83%)p1.92(39.92%)d1.88(39.25%) 0.000530519 - 1.775318362
155 RY*(7)C5 s(7.67%)p2.94(22.54%)d9.10(69.79%) 0.000317632 - 2.140914347
156 RY*(8)C5 s(6.64%)p7.64(50.67%)d6.43(42.69%) 0.000198412 - 2.670170599
157 RY*(9)C5 s(8.76%)p2.90(25.38%)d7.51(65.86%) 0.000098382 - 1.816047723
158 RY*(10)C5 s(9.10%)p0.99(9.04%)d8.99(81.86%) 0.000092925 - 1.932338306
159 RY*(11)C5 s(8.56%)p6.71(57.40%)d3.98(34.04%) 0.000051177 - 3.693561466
160 RY*(12)C5 s(4.38%)p10.41(45.57%)d11.44(50.05%) 0.000036394 - 2.423198353
161 RY*(13)C5 s(3.27%)p6.92(22.61%)d22.69(74.12%) 0.000014531 - 3.092190296
162 RY*(14)C5 s(16.60%)p3.31(54.88%)d1.72(28.51%) 0.000006501 - 2.741159888
163 RY*(15)C5 s(60.57%)p0.53(32.36%)d0.12(7.07%) 0.000010666 - 2.833836349
164 RY*(16)C5 s(22.64%)p1.65(37.23%)d1.77(40.13%) 0.000014428 - 5.029382611
165 RY*(17)C5 s(0.16%)p99.99(61.62%)d99.99(38.23%) 0.000001660 - 0.801037466
166 RY*(18)C5 s(2.22%)p3.26(7.25%)d40.70(90.53%) 0.000004687 - 2.178023632
167 RY*(19)C5 s(0.52%)p99.99(93.45%)d11.53(6.03%) 0.000000686 - 2.991709405
168 RY*(20)C5 s(73.75%)p0.22(15.98%)d0.14(10.27%) 0.000001938 - 15.397017583
169 RY*(21)C5 s(0.43%)p31.00(13.18%)d99.99(86.40%) 0.000001020 - 3.146861016
170 RY*(22)C5 s(1.70%)p0.95(1.62%)d56.80(96.68%) 0.000001139 - 3.912033424
171 RY*(1)C6 s(35.98%)p1.53(55.05%)d0.25(8.97%) 0.009156870 - 1.141537439
172 RY*(2)C6 s(13.52%)p6.13(82.85%)d0.27(3.63%) 0.007077183 - 1.169381630
173 RY*(3)C6 s(27.31%)p2.42(66.09%)d0.24(6.60%) 0.002927926 - 1.041836148
174 RY*(4)C6 s(3.72%)p5.03(18.74%)d20.82(77.54%) 0.001621669 - 2.201439601
175 RY*(5)C6 s(4.44%)p11.71(52.00%)d9.81(43.56%) 0.000949168 - 1.979923031
176 RY*(6)C6 s(7.86%)p5.35(42.09%)d6.37(50.05%) 0.000547788 - 1.667338160
177 RY*(7)C6 s(18.01%)p0.79(14.17%)d3.76(67.82%) 0.000477254 - 2.710662142
178 RY*(8)C6 s(6.09%)p0.99(6.03%)d14.43(87.88%) 0.000435669 - 2.975043648
179 RY*(9)C6 s(14.17%)p0.84(11.84%)d5.22(73.99%) 0.000268284 - 2.361954962
180 RY*(10)C6 s(31.26%)p0.63(19.54%)d1.57(49.19%) 0.000200074 - 1.748402834
181 RY*(11)C6 s(30.76%)p1.65(50.61%)d0.61(18.63%) 0.000109683 - 1.668346525
182 RY*(12)C6 s(2.12%)p35.26(74.61%)d11.00(23.27%) 0.000049610 - 3.448869171
183 RY*(13)C6 s(2.24%)p15.05(33.70%)d28.60(64.06%) 0.000045975 - 2.625483223
184 RY*(14)C6 s(0.05%)p99.99(14.26%)d99.99(85.69%) 0.000021376 - 2.291054922
185 RY*(15)C6 s(2.76%)p29.51(81.47%)d5.71(15.77%) 0.000021632 - 3.401676555
186 RY*(16)C6 s(0.06%)p99.99(97.47%)d41.50(2.47%) 0.000003917 - 2.986791051
187 RY*(17)C6 s(2.06%)p7.44(15.34%)d40.05(82.59%) 0.000011784 - 2.265434314
188 RY*(18)C6 s(0.44%)p99.99(86.73%)d28.83(12.83%) 0.000009545 - 1.273928107
189 RY*(19)C6 s(95.86%)p0.03(2.93%)d0.01(1.21%) 0.000003210 - 20.857970924
190 RY*(20)C6 s(0.66%)p96.56(64.03%)d53.24(35.30%) 0.000005866 - 1.607921630
191 RY*(21)C6 s(0.00%)p1.00(6.58%)d14.19(93.41%) 0.000001674 - 1.339407135
192 RY*(22)C6 s(0.83%)p4.71(3.91%)d99.99(95.26%) 0.000007480 - 3.615393462
193 RY*(1)C7 s(25.45%)p2.36(60.14%)d0.57(14.41%) 0.005493200 - 0.996814634
194 RY*(2)C7 s(3.94%)p23.45(92.29%)d0.96(3.77%) 0.002739953 - 1.276791418
195 RY*(3)C7 s(58.67%)p0.66(38.65%)d0.05(2.68%) 0.001826741 - 1.188166038
196 RY*(4)C7 s(1.02%)p81.66(83.03%)d15.70(15.96%) 0.000766034 - 1.061514055
197 RY*(5)C7 s(43.30%)p0.19(8.13%)d1.12(48.57%) 0.000627171 - 1.814489101
198 RY*(6)C7 s(13.85%)p2.65(36.65%)d3.57(49.50%) 0.000359836 - 1.779192507
199 RY*(7)C7 s(4.49%)p7.39(33.16%)d13.89(62.35%) 0.000289428 - 1.796745148
200 RY*(8)C7 s(4.81%)p6.26(30.13%)d13.51(65.06%) 0.000205134 - 2.460946917
201 RY*(9)C7 s(7.80%)p2.81(21.91%)d9.01(70.29%) 0.000138514 - 2.360916037
202 RY*(10)C7 s(12.22%)p0.53(6.51%)d6.65(81.26%) 0.000111171 - 2.375893404
203 RY*(11)C7 s(7.43%)p9.51(70.60%)d2.96(21.97%) 0.000088111 - 1.592948691
204 RY*(12)C7 s(3.30%)p25.72(84.86%)d3.59(11.84%) 0.000048720 - 2.223211578
205 RY*(13)C7 s(5.83%)p4.40(25.63%)d11.76(68.54%) 0.000040316 - 1.899020186
206 RY*(14)C7 s(0.80%)p65.46(52.60%)d57.99(46.59%) 0.000018894 - 1.168553741
207 RY*(15)C7 s(1.85%)p46.95(86.68%)d6.22(11.48%) 0.000017605 - 3.335579063
208 RY*(16)C7 s(6.48%)p4.54(29.45%)d9.88(64.07%) 0.000016402 - 3.625796951
209 RY*(17)C7 s(2.78%)p7.79(21.67%)d27.17(75.55%) 0.000011887 - 3.957550745
210 RY*(18)C7 s(11.20%)p3.02(33.86%)d4.90(54.94%) 0.000021404 - 2.858758814
211 RY*(19)C7 s(3.26%)p22.27(72.55%)d7.43(24.20%) 0.000005417 - 3.483871094
212 RY*(20)C7 s(78.97%)p0.06(4.65%)d0.21(16.38%) 0.000001294 - 18.253523517
213 RY*(21)C7 s(0.06%)p35.82(2.28%)d99.99(97.66%) 0.000000268 - 3.518347420
214 RY*(22)C7 s(1.30%)p5.32(6.91%)d70.76(91.80%) 0.000001064 - 3.868767453
215 RY*(1)N8 s(2.45%)p37.59(92.01%)d2.26(5.54%) 0.003771949 - 0.710279843
216 RY*(2)N8 s(0.28%)p99.99(93.76%)d21.62(5.96%) 0.002325763 - 0.925719280
217 RY*(3)N8 s(6.63%)p11.06(73.39%)d3.01(19.98%) 0.001026980 - 0.995715999
218 RY*(4)N8 s(14.59%)p2.32(33.79%)d3.54(51.62%) 0.000277899 - 1.536699371
219 RY*(5)N8 s(5.85%)p4.89(28.58%)d11.21(65.57%) 0.000141287 - 1.724737265
220 RY*(6)N8 s(9.29%)p8.10(75.26%)d1.66(15.45%) 0.000084341 - 1.966035447
221 RY*(7)N8 s(0.51%)p61.06(30.91%)d99.99(68.58%) 0.000082456 - 1.383721061
222 RY*(8)N8 s(59.44%)p0.15(9.05%)d0.53(31.52%) 0.000054147 - 1.789733714
223 RY*(9)N8 s(85.97%)p0.09(7.57%)d0.08(6.45%) 0.000012166 - 1.068092032
224 RY*(10)N8 s(1.03%)p88.15(90.83%)d7.90(8.14%) 0.000010633 - 4.384807467
225 RY*(11)N8 s(2.55%)p10.70(27.27%)d27.53(70.18%) 0.000015550 - 1.813937875
226 RY*(12)N8 s(3.15%)p29.13(91.67%)d1.65(5.19%) 0.000000835 - 3.896969471
227 RY*(13)N8 s(0.64%)p91.11(58.02%)d64.91(41.34%) 0.000005952 - 1.899565838
228 RY*(14)N8 s(3.05%)p0.13(0.40%)d31.65(96.55%) 0.000000985 - 5.225304699
229 RY*(15)N8 s(2.07%)p5.56(11.50%)d41.79(86.43%) 0.000002682 - 1.664252721
230 RY*(16)N8 s(0.23%)p5.69(1.34%)d99.99(98.43%) 0.000000275 - 5.041072551
231 RY*(17)N8 s(99.54%)p0.00(0.41%)d0.00(0.05%) 0.000000057 - 35.320091179
232 RY*(18)N8 s(0.14%)p9.77(1.32%)d99.99(98.54%) 0.000000134 - 5.013723759
233 RY*(19)N8 s(0.15%)p99.99(92.71%)d46.47(7.13%) 0.000003192 - 2.686738895
234 RY*(20)N8 s(0.98%)p3.94(3.85%)d97.41(95.17%) 0.000002456 - 4.752368348
235 RY*(21)N8 s(1.30%)p58.03(75.61%)d17.72(23.08%) 0.000003760 - 1.096998827
236 RY*(22)N8 s(0.34%)p4.10(1.40%)d99.99(98.26%) 0.000000378 - 5.073397550
237 RY*(1)H9 s(94.18%)p0.06(5.82%) 0.001127010 - 0.975966727
238 RY*(2)H9 s(45.89%)p1.18(54.11%) 0.000538988 - 2.249326587
239 RY*(3)H9 s(18.08%)p4.53(81.92%) 0.000262635 - 2.159434817
240 RY*(4)H9 s(35.49%)p1.82(64.51%) 0.000140765 - 2.412297772
241 RY*(5)H9 s(6.40%)p14.63(93.60%) 0.000018241 - 2.733845881
242 RY*(1)H10 s(99.81%)p0.00(0.19%) 0.006904656 - 0.545705729
243 RY*(2)H10 s(55.90%)p0.79(44.10%) 0.000504544 - 2.210191285
244 RY*(3)H10 s(14.94%)p5.70(85.06%) 0.000189193 - 2.230236948
245 RY*(4)H10 s(23.82%)p3.20(76.18%) 0.000119539 - 2.335179883
246 RY*(5)H10 s(5.56%)p16.99(94.44%) 0.000042915 - 2.891318134
247 RY*(1)H11 s(99.07%)p0.01(0.93%) 0.001352390 - 1.373683040
248 RY*(2)H11 s(27.48%)p2.64(72.52%) 0.000244917 - 2.064351280
249 RY*(3)H11 s(63.77%)p0.57(36.23%) 0.000192504 - 2.153883964
250 RY*(4)H11 s(0.73%)p99.99(99.27%) 0.000044627 - 2.717803242
251 RY*(5)H11 s(9.00%)p10.11(91.00%) 0.000048812 - 2.828085074
252 RY*(1)H12 s(99.76%)p0.00(0.24%) 0.000804320 - 1.230821677
253 RY*(2)H12 s(0.27%)p99.99(99.73%) 0.000228197 - 2.056176806
254 RY*(3)H12 s(94.67%)p0.06(5.33%) 0.000156084 - 2.246952527
255 RY*(4)H12 s(0.37%)p99.99(99.63%) 0.000059157 - 2.716816580
256 RY*(5)H12 s(4.98%)p19.09(95.02%) 0.000043373 - 2.841707299
257 RY*(1)H13 s(99.57%)p0.00(0.43%) 0.001200315 - 1.435720045
258 RY*(2)H13 s(0.36%)p99.99(99.64%) 0.000234431 - 2.086884954
259 RY*(3)H13 s(96.64%)p0.03(3.36%) 0.000161626 - 2.043550613
260 RY*(4)H13 s(0.43%)p99.99(99.57%) 0.000091365 - 2.708547521
261 RY*(5)H13 s(3.05%)p31.84(96.95%) 0.000058054 - 2.949258402
262 RY*(1)F14 s(17.22%)p4.61(79.31%)d0.20(3.46%) 0.001568649 - 0.746273375
263 RY*(2)F14 s(38.18%)p1.47(56.18%)d0.15(5.63%) 0.000853304 - 1.137024805
264 RY*(3)F14 s(17.62%)p4.32(76.04%)d0.36(6.34%) 0.000626806 - 1.509852152
265 RY*(4)F14 s(51.08%)p0.89(45.52%)d0.07(3.41%) 0.000403620 - 1.353496021
266 RY*(5)F14 s(2.64%)p16.79(44.33%)d20.09(53.03%) 0.000209920 - 2.262695524
267 RY*(6)F14 s(0.62%)p25.92(15.99%)d99.99(83.40%) 0.000115754 - 2.263926833
268 RY*(7)F14 s(0.79%)p24.07(19.12%)d99.99(80.08%) 0.000069349 - 3.231529767
269 RY*(8)F14 s(11.40%)p4.76(54.28%)d3.01(34.32%) 0.000071662 - 2.190172103
270 RY*(9)F14 s(9.86%)p2.08(20.48%)d7.06(69.66%) 0.000030037 - 2.515125386
271 RY*(10)F14 s(8.50%)p1.44(12.21%)d9.33(79.29%) 0.000014902 - 2.957491545
272 RY*(11)F14 s(0.26%)p99.99(95.15%)d17.84(4.59%) 0.000001337 - 6.175200143
273 RY*(12)F14 s(0.67%)p99.99(94.01%)d7.91(5.31%) 0.000000568 - 5.978357442
274 RY*(13)F14 s(8.99%)p4.36(39.18%)d5.76(51.83%) 0.000009101 - 2.031300071
275 RY*(14)F14 s(0.15%)p6.48(0.96%)d99.99(98.89%) 0.000000532 - 9.020606673
276 RY*(15)F14 s(11.56%)p6.14(70.97%)d1.51(17.48%) 0.000005860 - 1.895307942
277 RY*(16)F14 s(0.38%)p3.67(1.41%)d99.99(98.21%) 0.000001434 - 8.976482597
278 RY*(17)F14 s(19.65%)p3.72(73.12%)d0.37(7.23%) 0.000007543 - 1.905552584
279 RY*(18)F14 s(0.32%)p3.17(1.03%)d99.99(98.65%) 0.000001696 - 9.177813156
280 RY*(19)F14 s(0.02%)p99.99(97.13%)d99.99(2.85%) 0.000000787 - 6.158984719
281 RY*(20)F14 s(0.12%)p12.71(1.47%)d99.99(98.41%) 0.000002038 - 8.767597067
282 RY*(21)F14 s(99.96%)p0.00(0.03%)d0.00(0.01%) 0.000000027 - 66.744141260
283 RY*(22)F14 s(0.02%)p99.99(2.34%)d99.99(97.65%) 0.000002268 - 8.908398263
284 RY*(1)F15 s(46.39%)p1.11(51.72%)d0.04(1.88%) 0.001600514 - 0.768037653
285 RY*(2)F15 s(0.34%)p99.99(96.46%)d9.29(3.19%) 0.000812551 - 0.627038252
286 RY*(3)F15 s(24.46%)p2.69(65.72%)d0.40(9.83%) 0.000792555 - 1.132440521
287 RY*(4)F15 s(14.71%)p5.13(75.46%)d0.67(9.84%) 0.000374928 - 1.089444064
288 RY*(5)F15 s(41.07%)p0.95(39.19%)d0.48(19.74%) 0.000188140 - 2.763263414
289 RY*(6)F15 s(0.02%)p99.99(11.98%)d99.99(88.00%) 0.000124397 - 2.282603976
290 RY*(7)F15 s(0.19%)p99.99(55.88%)d99.99(43.93%) 0.000096832 - 2.348712359
291 RY*(8)F15 s(0.73%)p35.32(25.84%)d99.99(73.43%) 0.000081479 - 2.835008878
292 RY*(9)F15 s(30.70%)p0.63(19.21%)d1.63(50.09%) 0.000054574 - 2.638854536
293 RY*(10)F15 s(0.02%)p99.99(30.39%)d99.99(69.59%) 0.000025098 - 2.612039323
294 RY*(11)F15 s(18.68%)p1.02(18.98%)d3.34(62.34%) 0.000023695 - 2.526244113
295 RY*(12)F15 s(0.00%)p1.00(99.39%)d0.01(0.61%) 0.000000066 - 6.355689205
296 RY*(13)F15 s(99.98%)p0.00(0.01%)d0.00(0.01%) 0.000000037 - 66.600738322
297 RY*(14)F15 s(0.12%)p4.88(0.59%)d99.99(99.28%) 0.000000449 - 9.297970353
298 RY*(15)F15 s(18.95%)p2.73(51.69%)d1.55(29.36%) 0.000008134 - 2.156913456
299 RY*(16)F15 s(0.00%)p1.00(3.07%)d31.62(96.93%) 0.000000358 - 8.839434769
300 RY*(17)F15 s(0.07%)p99.99(96.41%)d48.74(3.52%) 0.000000542 - 6.149025762
301 RY*(18)F15 s(0.00%)p1.00(2.52%)d38.69(97.48%) 0.000000876 - 8.805993491
302 RY*(19)F15 s(0.53%)p99.99(58.43%)d77.57(41.04%) 0.000005817 - 2.043370756
303 RY*(20)F15 s(1.20%)p0.84(1.00%)d81.76(97.80%) 0.000001939 - 8.623422482
304 RY*(21)F15 s(1.60%)p59.50(95.36%)d1.90(3.04%) 0.000001005 - 6.110935155
305 RY*(22)F15 s(0.25%)p3.85(0.96%)d99.99(98.79%) 0.000000388 - 9.147702694
306 RY*(1)F16 s(17.07%)p4.66(79.61%)d0.19(3.32%) 0.001578551 - 0.738415284
307 RY*(2)F16 s(36.99%)p1.57(58.18%)d0.13(4.83%) 0.000921107 - 1.102016028
308 RY*(3)F16 s(17.34%)p4.41(76.45%)d0.36(6.21%) 0.000634544 - 1.479701540
309 RY*(4)F16 s(51.60%)p0.88(45.17%)d0.06(3.23%) 0.000393416 - 1.316577628
310 RY*(5)F16 s(3.84%)p11.24(43.13%)d13.82(53.03%) 0.000219166 - 2.303523589
311 RY*(6)F16 s(0.62%)p25.91(16.15%)d99.99(83.22%) 0.000115641 - 2.263992359
312 RY*(7)F16 s(0.61%)p33.48(20.31%)d99.99(79.08%) 0.000068210 - 3.184158233
313 RY*(8)F16 s(11.29%)p4.57(51.55%)d3.29(37.16%) 0.000072242 - 2.231315461
314 RY*(9)F16 s(10.70%)p1.87(20.04%)d6.47(69.26%) 0.000029875 - 2.522339802
315 RY*(10)F16 s(8.53%)p1.30(11.10%)d9.42(80.36%) 0.000014170 - 3.000552646
316 RY*(11)F16 s(0.22%)p99.99(95.43%)d19.88(4.35%) 0.000001368 - 6.188647200
317 RY*(12)F16 s(0.55%)p99.99(94.14%)d9.73(5.31%) 0.000000520 - 5.979776906
318 RY*(13)F16 s(8.46%)p4.56(38.56%)d6.26(52.97%) 0.000008881 - 2.065384196
319 RY*(14)F16 s(0.15%)p6.18(0.93%)d99.99(98.92%) 0.000000577 - 9.022781641
320 RY*(15)F16 s(10.49%)p7.04(73.79%)d1.50(15.72%) 0.000005787 - 1.864384929
321 RY*(16)F16 s(0.39%)p3.58(1.39%)d99.99(98.22%) 0.000001477 - 8.957603176
322 RY*(17)F16 s(20.66%)p3.46(71.46%)d0.38(7.88%) 0.000007990 - 1.954310544
323 RY*(18)F16 s(0.34%)p3.53(1.19%)d99.99(98.47%) 0.000001726 - 9.165295178
324 RY*(19)F16 s(0.03%)p99.99(97.68%)d73.04(2.29%) 0.000000914 - 6.127989446
325 RY*(20)F16 s(0.14%)p10.42(1.46%)d99.99(98.40%) 0.000001960 - 8.727938547
326 RY*(21)F16 s(99.96%)p0.00(0.03%)d0.00(0.01%) 0.000000026 - 66.749032127
327 RY*(22)F16 s(0.03%)p77.63(2.50%)d99.99(97.47%) 0.000002299 - 8.919848923

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-C2 1, 2 1.985802063 - -0.516096675
2 BD(1)C1-F14 3, 4 1.993702484 - -0.859283043
3 BD(1)C1-F15 5, 6 1.993933542 - -0.849081491
4 BD(1)C1-F16 7, 8 1.993637714 - -0.856463238
5 BD(1)C2-C3 9, 10 1.973022880 - -0.528962762
6 BD(1)C2-C7 11, 12 1.962528304 - -0.506290131
7 BD(2)C2-C7 13, 14 1.602698474 - -0.057655092
8 BD(1)C3-C4 15, 16 1.976608310 - -0.541056272
9 BD(2)C3-C4 17, 18 1.739506671 - -0.099449199
10 BD(1)C3-H13 19, 20 1.978305798 - -0.363072827
11 BD(1)C4-C5 21, 22 1.976184512 - -0.535593702
12 BD(1)C4-H12 23, 24 1.979975914 - -0.368322423
13 BD(1)C5-C6 25, 26 1.975198876 - -0.535364353
14 BD(2)C5-C6 27, 28 1.686273845 - -0.091455650
15 BD(1)C5-H11 29, 30 1.978969711 - -0.364110393
16 BD(1)C6-C7 31, 32 1.967027731 - -0.496303960
17 BD(1)C6-N8 33, 34 1.991753640 - -0.600207608
18 BD(1)N8-H9 35, 36 1.984396638 - -0.475832287
19 BD(1)N8-H10 37, 38 1.989371870 - -0.465041365
20 CR(1)C1 39 1.999012416 - -10.169563393
21 CR(1)C2 40 1.998874253 - -9.875003797
22 CR(1)C3 41 1.999040520 - -9.866951957
23 CR(1)C4 42 1.999145896 - -9.873033504
24 CR(1)C5 43 1.999005507 - -9.867235507
25 CR(1)C6 44 1.998961546 - -9.898795217
26 CR(1)C7 45 1.999013947 - -9.802886973
27 CR(1)N8 46 1.999457051 - -13.982616996
28 CR(1)F14 47 1.999913835 - -24.290546893
29 CR(1)F15 48 1.999922464 - -24.300849288
30 CR(1)F16 49 1.999914672 - -24.291038846
31 LP(1)C7 50 1.852546148 - -0.036172845
32 LP(1)N8 51 1.898254650 - -0.166416904
33 LP(1)F14 52 1.989613025 - -0.932966541
34 LP(2)F14 53 1.958056167 - -0.283144216
35 LP(3)F14 54 1.941198857 - -0.282647100
36 LP(1)F15 55 1.990178106 - -0.941753893
37 LP(2)F15 56 1.963047747 - -0.292201056
38 LP(3)F15 57 1.949213409 - -0.291307531
39 LP(1)F16 58 1.989671016 - -0.933956566
40 LP(2)F16 59 1.958579155 - -0.283374539
41 LP(3)F16 60 1.941814225 - -0.282704166
42 RY*(1)C1 61 0.013457258 - 1.385949438
43 RY*(2)C1 62 0.012517782 - 1.357853700
44 RY*(3)C1 63 0.010286137 - 1.336543910
45 RY*(4)C1 64 0.004112202 - 1.348526248
46 RY*(5)C1 65 0.003818975 - 2.162511241
47 RY*(6)C1 66 0.003287919 - 2.135464388
48 RY*(7)C1 67 0.002352944 - 2.359355333
49 RY*(8)C1 68 0.001467216 - 2.929649115
50 RY*(9)C1 69 0.000741748 - 2.403862260
51 RY*(10)C1 70 0.000150310 - 2.997483435
52 RY*(11)C1 71 0.000075947 - 2.750273902
53 RY*(12)C1 72 0.000059544 - 1.623367456
54 RY*(13)C1 73 0.000020032 - 2.713894736
55 RY*(14)C1 74 0.000005496 - 3.033457888
56 RY*(15)C1 75 0.000003143 - 1.001471001
57 RY*(16)C1 76 0.000006348 - 2.938303160
58 RY*(17)C1 77 0.000005715 - 18.731629618
59 RY*(18)C1 78 0.000002689 - 3.034293021
60 RY*(19)C1 79 0.000010927 - 2.175307779
61 RY*(20)C1 80 0.000001299 - 2.578430706
62 RY*(21)C1 81 0.000005409 - 2.883998683
63 RY*(22)C1 82 0.000005714 - 3.275268258
64 RY*(1)C2 83 0.007403329 - 1.373601941
65 RY*(2)C2 84 0.006665715 - 1.341131140
66 RY*(3)C2 85 0.002633667 - 0.836237806
67 RY*(4)C2 86 0.001415882 - 1.855936892
68 RY*(5)C2 87 0.001058252 - 1.609422069
69 RY*(6)C2 88 0.000965812 - 1.639504654
70 RY*(7)C2 89 0.000875891 - 2.174841037
71 RY*(8)C2 90 0.000404551 - 2.735618359
72 RY*(9)C2 91 0.000221536 - 1.993973508
73 RY*(10)C2 92 0.000230191 - 2.466803904
74 RY*(11)C2 93 0.000204553 - 2.818032219
75 RY*(12)C2 94 0.000186721 - 1.859496761
76 RY*(13)C2 95 0.000090632 - 2.906525425
77 RY*(14)C2 96 0.000070301 - 2.073139359
78 RY*(15)C2 97 0.000040031 - 2.110028300
79 RY*(16)C2 98 0.000020604 - 2.398612987
80 RY*(17)C2 99 0.000020617 - 2.919436778
81 RY*(18)C2 100 0.000021820 - 2.050547043
82 RY*(19)C2 101 0.000002267 - 3.197584744
83 RY*(20)C2 102 0.000009261 - 2.011498278
84 RY*(21)C2 103 0.000003953 - 21.273032857
85 RY*(22)C2 104 0.000004030 - 3.611529792
86 RY*(1)C3 105 0.006602855 - 1.503170015
87 RY*(2)C3 106 0.003244508 - 1.095441453
88 RY*(3)C3 107 0.002579815 - 0.540891436
89 RY*(4)C3 108 0.001140112 - 1.802472667
90 RY*(5)C3 109 0.000598230 - 2.455087052
91 RY*(6)C3 110 0.000581047 - 1.939337709
92 RY*(7)C3 111 0.000269048 - 1.857122308
93 RY*(8)C3 112 0.000225245 - 2.479610571
94 RY*(9)C3 113 0.000160263 - 1.987803609
95 RY*(10)C3 114 0.000078794 - 1.775409027
96 RY*(11)C3 115 0.000052523 - 4.262384256
97 RY*(12)C3 116 0.000048062 - 1.391412941
98 RY*(13)C3 117 0.000027751 - 2.252486975
99 RY*(14)C3 118 0.000029146 - 3.064040420
100 RY*(15)C3 119 0.000005188 - 2.978005466
101 RY*(16)C3 120 0.000002600 - 2.968167014
102 RY*(17)C3 121 0.000011780 - 3.122350120
103 RY*(18)C3 122 0.000008705 - 1.031189581
104 RY*(19)C3 123 0.000000271 - 2.877399976
105 RY*(20)C3 124 0.000007914 - 2.006008568
106 RY*(21)C3 125 0.000004353 - 18.751562818
107 RY*(22)C3 126 0.000002962 - 3.656956539
108 RY*(1)C4 127 0.006693906 - 1.372170888
109 RY*(2)C4 128 0.002240759 - 1.380295105
110 RY*(3)C4 129 0.001999856 - 0.535086685
111 RY*(4)C4 130 0.001341376 - 1.808577923
112 RY*(5)C4 131 0.000503684 - 2.947675059
113 RY*(6)C4 132 0.000416165 - 2.246589797
114 RY*(7)C4 133 0.000170142 - 2.443362223
115 RY*(8)C4 134 0.000102179 - 1.817288019
116 RY*(9)C4 135 0.000081717 - 1.750733992
117 RY*(10)C4 136 0.000058487 - 2.038476355
118 RY*(11)C4 137 0.000033736 - 3.230916424
119 RY*(12)C4 138 0.000041739 - 2.167778333
120 RY*(13)C4 139 0.000028609 - 1.413124427
121 RY*(14)C4 140 0.000035256 - 2.706755296
122 RY*(15)C4 141 0.000016491 - 2.275620917
123 RY*(16)C4 142 0.000003148 - 2.925120684
124 RY*(17)C4 143 0.000002040 - 3.167984755
125 RY*(18)C4 144 0.000001094 - 3.325336294
126 RY*(19)C4 145 0.000002296 - 19.894636420
127 RY*(20)C4 146 0.000004047 - 0.876828570
128 RY*(21)C4 147 0.000010778 - 1.146125713
129 RY*(22)C4 148 0.000000932 - 3.655243518
130 RY*(1)C5 149 0.006499272 - 1.426641327
131 RY*(2)C5 150 0.003428534 - 1.161865224
132 RY*(3)C5 151 0.001503965 - 0.626582043
133 RY*(4)C5 152 0.001081132 - 1.779463408
134 RY*(5)C5 153 0.000668342 - 1.983898732
135 RY*(6)C5 154 0.000530519 - 1.775318362
136 RY*(7)C5 155 0.000317632 - 2.140914347
137 RY*(8)C5 156 0.000198412 - 2.670170599
138 RY*(9)C5 157 0.000098382 - 1.816047723
139 RY*(10)C5 158 0.000092925 - 1.932338306
140 RY*(11)C5 159 0.000051177 - 3.693561466
141 RY*(12)C5 160 0.000036394 - 2.423198353
142 RY*(13)C5 161 0.000014531 - 3.092190296
143 RY*(14)C5 162 0.000006501 - 2.741159888
144 RY*(15)C5 163 0.000010666 - 2.833836349
145 RY*(16)C5 164 0.000014428 - 5.029382611
146 RY*(17)C5 165 0.000001660 - 0.801037466
147 RY*(18)C5 166 0.000004687 - 2.178023632
148 RY*(19)C5 167 0.000000686 - 2.991709405
149 RY*(20)C5 168 0.000001938 - 15.397017583
150 RY*(21)C5 169 0.000001020 - 3.146861016
151 RY*(22)C5 170 0.000001139 - 3.912033424
152 RY*(1)C6 171 0.009156870 - 1.141537439
153 RY*(2)C6 172 0.007077183 - 1.169381630
154 RY*(3)C6 173 0.002927926 - 1.041836148
155 RY*(4)C6 174 0.001621669 - 2.201439601
156 RY*(5)C6 175 0.000949168 - 1.979923031
157 RY*(6)C6 176 0.000547788 - 1.667338160
158 RY*(7)C6 177 0.000477254 - 2.710662142
159 RY*(8)C6 178 0.000435669 - 2.975043648
160 RY*(9)C6 179 0.000268284 - 2.361954962
161 RY*(10)C6 180 0.000200074 - 1.748402834
162 RY*(11)C6 181 0.000109683 - 1.668346525
163 RY*(12)C6 182 0.000049610 - 3.448869171
164 RY*(13)C6 183 0.000045975 - 2.625483223
165 RY*(14)C6 184 0.000021376 - 2.291054922
166 RY*(15)C6 185 0.000021632 - 3.401676555
167 RY*(16)C6 186 0.000003917 - 2.986791051
168 RY*(17)C6 187 0.000011784 - 2.265434314
169 RY*(18)C6 188 0.000009545 - 1.273928107
170 RY*(19)C6 189 0.000003210 - 20.857970924
171 RY*(20)C6 190 0.000005866 - 1.607921630
172 RY*(21)C6 191 0.000001674 - 1.339407135
173 RY*(22)C6 192 0.000007480 - 3.615393462
174 RY*(1)C7 193 0.005493200 - 0.996814634
175 RY*(2)C7 194 0.002739953 - 1.276791418
176 RY*(3)C7 195 0.001826741 - 1.188166038
177 RY*(4)C7 196 0.000766034 - 1.061514055
178 RY*(5)C7 197 0.000627171 - 1.814489101
179 RY*(6)C7 198 0.000359836 - 1.779192507
180 RY*(7)C7 199 0.000289428 - 1.796745148
181 RY*(8)C7 200 0.000205134 - 2.460946917
182 RY*(9)C7 201 0.000138514 - 2.360916037
183 RY*(10)C7 202 0.000111171 - 2.375893404
184 RY*(11)C7 203 0.000088111 - 1.592948691
185 RY*(12)C7 204 0.000048720 - 2.223211578
186 RY*(13)C7 205 0.000040316 - 1.899020186
187 RY*(14)C7 206 0.000018894 - 1.168553741
188 RY*(15)C7 207 0.000017605 - 3.335579063
189 RY*(16)C7 208 0.000016402 - 3.625796951
190 RY*(17)C7 209 0.000011887 - 3.957550745
191 RY*(18)C7 210 0.000021404 - 2.858758814
192 RY*(19)C7 211 0.000005417 - 3.483871094
193 RY*(20)C7 212 0.000001294 - 18.253523517
194 RY*(21)C7 213 0.000000268 - 3.518347420
195 RY*(22)C7 214 0.000001064 - 3.868767453
196 RY*(1)N8 215 0.003771949 - 0.710279843
197 RY*(2)N8 216 0.002325763 - 0.925719280
198 RY*(3)N8 217 0.001026980 - 0.995715999
199 RY*(4)N8 218 0.000277899 - 1.536699371
200 RY*(5)N8 219 0.000141287 - 1.724737265
201 RY*(6)N8 220 0.000084341 - 1.966035447
202 RY*(7)N8 221 0.000082456 - 1.383721061
203 RY*(8)N8 222 0.000054147 - 1.789733714
204 RY*(9)N8 223 0.000012166 - 1.068092032
205 RY*(10)N8 224 0.000010633 - 4.384807467
206 RY*(11)N8 225 0.000015550 - 1.813937875
207 RY*(12)N8 226 0.000000835 - 3.896969471
208 RY*(13)N8 227 0.000005952 - 1.899565838
209 RY*(14)N8 228 0.000000985 - 5.225304699
210 RY*(15)N8 229 0.000002682 - 1.664252721
211 RY*(16)N8 230 0.000000275 - 5.041072551
212 RY*(17)N8 231 0.000000057 - 35.320091179
213 RY*(18)N8 232 0.000000134 - 5.013723759
214 RY*(19)N8 233 0.000003192 - 2.686738895
215 RY*(20)N8 234 0.000002456 - 4.752368348
216 RY*(21)N8 235 0.000003760 - 1.096998827
217 RY*(22)N8 236 0.000000378 - 5.073397550
218 RY*(1)H9 237 0.001127010 - 0.975966727
219 RY*(2)H9 238 0.000538988 - 2.249326587
220 RY*(3)H9 239 0.000262635 - 2.159434817
221 RY*(4)H9 240 0.000140765 - 2.412297772
222 RY*(5)H9 241 0.000018241 - 2.733845881
223 RY*(1)H10 242 0.006904656 - 0.545705729
224 RY*(2)H10 243 0.000504544 - 2.210191285
225 RY*(3)H10 244 0.000189193 - 2.230236948
226 RY*(4)H10 245 0.000119539 - 2.335179883
227 RY*(5)H10 246 0.000042915 - 2.891318134
228 RY*(1)H11 247 0.001352390 - 1.373683040
229 RY*(2)H11 248 0.000244917 - 2.064351280
230 RY*(3)H11 249 0.000192504 - 2.153883964
231 RY*(4)H11 250 0.000044627 - 2.717803242
232 RY*(5)H11 251 0.000048812 - 2.828085074
233 RY*(1)H12 252 0.000804320 - 1.230821677
234 RY*(2)H12 253 0.000228197 - 2.056176806
235 RY*(3)H12 254 0.000156084 - 2.246952527
236 RY*(4)H12 255 0.000059157 - 2.716816580
237 RY*(5)H12 256 0.000043373 - 2.841707299
238 RY*(1)H13 257 0.001200315 - 1.435720045
239 RY*(2)H13 258 0.000234431 - 2.086884954
240 RY*(3)H13 259 0.000161626 - 2.043550613
241 RY*(4)H13 260 0.000091365 - 2.708547521
242 RY*(5)H13 261 0.000058054 - 2.949258402
243 RY*(1)F14 262 0.001568649 - 0.746273375
244 RY*(2)F14 263 0.000853304 - 1.137024805
245 RY*(3)F14 264 0.000626806 - 1.509852152
246 RY*(4)F14 265 0.000403620 - 1.353496021
247 RY*(5)F14 266 0.000209920 - 2.262695524
248 RY*(6)F14 267 0.000115754 - 2.263926833
249 RY*(7)F14 268 0.000069349 - 3.231529767
250 RY*(8)F14 269 0.000071662 - 2.190172103
251 RY*(9)F14 270 0.000030037 - 2.515125386
252 RY*(10)F14 271 0.000014902 - 2.957491545
253 RY*(11)F14 272 0.000001337 - 6.175200143
254 RY*(12)F14 273 0.000000568 - 5.978357442
255 RY*(13)F14 274 0.000009101 - 2.031300071
256 RY*(14)F14 275 0.000000532 - 9.020606673
257 RY*(15)F14 276 0.000005860 - 1.895307942
258 RY*(16)F14 277 0.000001434 - 8.976482597
259 RY*(17)F14 278 0.000007543 - 1.905552584
260 RY*(18)F14 279 0.000001696 - 9.177813156
261 RY*(19)F14 280 0.000000787 - 6.158984719
262 RY*(20)F14 281 0.000002038 - 8.767597067
263 RY*(21)F14 282 0.000000027 - 66.744141260
264 RY*(22)F14 283 0.000002268 - 8.908398263
265 RY*(1)F15 284 0.001600514 - 0.768037653
266 RY*(2)F15 285 0.000812551 - 0.627038252
267 RY*(3)F15 286 0.000792555 - 1.132440521
268 RY*(4)F15 287 0.000374928 - 1.089444064
269 RY*(5)F15 288 0.000188140 - 2.763263414
270 RY*(6)F15 289 0.000124397 - 2.282603976
271 RY*(7)F15 290 0.000096832 - 2.348712359
272 RY*(8)F15 291 0.000081479 - 2.835008878
273 RY*(9)F15 292 0.000054574 - 2.638854536
274 RY*(10)F15 293 0.000025098 - 2.612039323
275 RY*(11)F15 294 0.000023695 - 2.526244113
276 RY*(12)F15 295 0.000000066 - 6.355689205
277 RY*(13)F15 296 0.000000037 - 66.600738322
278 RY*(14)F15 297 0.000000449 - 9.297970353
279 RY*(15)F15 298 0.000008134 - 2.156913456
280 RY*(16)F15 299 0.000000358 - 8.839434769
281 RY*(17)F15 300 0.000000542 - 6.149025762
282 RY*(18)F15 301 0.000000876 - 8.805993491
283 RY*(19)F15 302 0.000005817 - 2.043370756
284 RY*(20)F15 303 0.000001939 - 8.623422482
285 RY*(21)F15 304 0.000001005 - 6.110935155
286 RY*(22)F15 305 0.000000388 - 9.147702694
287 RY*(1)F16 306 0.001578551 - 0.738415284
288 RY*(2)F16 307 0.000921107 - 1.102016028
289 RY*(3)F16 308 0.000634544 - 1.479701540
290 RY*(4)F16 309 0.000393416 - 1.316577628
291 RY*(5)F16 310 0.000219166 - 2.303523589
292 RY*(6)F16 311 0.000115641 - 2.263992359
293 RY*(7)F16 312 0.000068210 - 3.184158233
294 RY*(8)F16 313 0.000072242 - 2.231315461
295 RY*(9)F16 314 0.000029875 - 2.522339802
296 RY*(10)F16 315 0.000014170 - 3.000552646
297 RY*(11)F16 316 0.000001368 - 6.188647200
298 RY*(12)F16 317 0.000000520 - 5.979776906
299 RY*(13)F16 318 0.000008881 - 2.065384196
300 RY*(14)F16 319 0.000000577 - 9.022781641
301 RY*(15)F16 320 0.000005787 - 1.864384929
302 RY*(16)F16 321 0.000001477 - 8.957603176
303 RY*(17)F16 322 0.000007990 - 1.954310544
304 RY*(18)F16 323 0.000001726 - 9.165295178
305 RY*(19)F16 324 0.000000914 - 6.127989446
306 RY*(20)F16 325 0.000001960 - 8.727938547
307 RY*(21)F16 326 0.000000026 - 66.749032127
308 RY*(22)F16 327 0.000002299 - 8.919848923
309 BD*(1)C1-C2 0.069510130 - 0.527782860
310 BD*(1)C1-F14 0.099443458 - 0.362186245
311 BD*(1)C1-F15 0.095422881 - 0.342376572
312 BD*(1)C1-F16 0.101212090 - 0.359783592
313 BD*(1)C2-C3 0.045014510 - 0.711423731
314 BD*(1)C2-C7 0.016866153 - 0.760509741
315 BD*(2)C2-C7 0.248565358 - 0.238563968
316 BD*(1)C3-C4 0.016643291 - 0.734315973
317 BD*(2)C3-C4 0.380986035 - 0.181891420
318 BD*(1)C3-H13 0.017321034 - 0.586818046
319 BD*(1)C4-C5 0.016827198 - 0.720797094
320 BD*(1)C4-H12 0.014573077 - 0.570784263
321 BD*(1)C5-C6 0.044076386 - 0.727217148
322 BD*(2)C5-C6 0.384040784 - 0.191588552
323 BD*(1)C5-H11 0.019283867 - 0.566343526
324 BD*(1)C6-C7 0.018845016 - 0.747520440
325 BD*(1)C6-N8 0.041996457 - 0.549341809
326 BD*(1)N8-H9 0.011398271 - 0.555811603
327 BD*(1)N8-H10 0.014015723 - 0.575127423

Quote

THE MEEK SHALL INHERIT THE EARTH. (THE REST OF US WILL ESCAPE TO THE STARS)