WebMO Job Summary

146428: C6H4FCl chlorofluorobenzene, 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 C6H4ClF
Symmetry C2V
Basis 6-311+G(2d,p)
RB3LYP Energy -791.212571785 Hartree
Dipole Moment 0.1533 Debye
Server class (147413)
CPU time 63 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 5.6904160 0.18981184643
b 0.9498536 0.03168370567
c 0.8139824 0.02715153028

Partial Charges

Atom Symbol Charge
1 C -0.674262  
2 C 1.182356  
3 C -0.674262  
4 C 0.027161  
5 C 0.048852  
6 C 0.027161  
7 H 0.107869  
8 F -0.340840  
9 H 0.107869  
10 H 0.120793  
11 Cl -0.053488  
12 H 0.120793  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 A1 2 - -101.56192
2 A1 2 - -24.70224
3 A1 2 - -10.27496
4 A1 2 - -10.2489
5 B2 2 - -10.20505
6 A1 2 - -10.20503
7 B2 2 - -10.20159
8 A1 2 - -10.20158
9 A1 2 - -9.47618
10 A1 2 - -7.24071
11 B1 2 - -7.23106
12 B2 2 - -7.23079
13 A1 2 - -1.24024
14 A1 2 - -0.90976
15 A1 2 - -0.855
16 B2 2 - -0.78489
17 A1 2 - -0.75038
18 B2 2 - -0.65382
19 A1 2 - -0.62565
20 A1 2 - -0.56806
21 B2 2 - -0.52075
22 A1 2 - -0.50551
23 B1 2 - -0.48432
24 A1 2 - -0.47102
25 B2 2 - -0.45849
26 B2 2 - -0.42792
27 B1 2 - -0.40798
28 A1 2 - -0.40696
29 B2 2 - -0.37576
30 B1 2 - -0.34256
31 B2 2 - -0.32556
32 A2 2 - -0.28731
33 B1 2 - -0.2571
34 A2 0 - -0.04337
35 B1 0 - -0.03068
36 A1 0 - -0.00449
37 A1 0 - 0.00836
38 B2 0 - 0.0166
39 A1 0 - 0.02238
40 A1 0 - 0.03825
41 B2 0 - 0.0499
42 B1 0 - 0.05336
43 A1 0 - 0.06106
44 B1 0 - 0.07317
45 A1 0 - 0.07609
46 A2 0 - 0.0795
47 B2 0 - 0.08663
48 A1 0 - 0.1174
49 B1 0 - 0.11871
50 B1 0 - 0.12674
51 A2 0 - 0.12926
52 A1 0 - 0.12933
53 B2 0 - 0.12934
54 B2 0 - 0.13612
55 A1 0 - 0.14029
56 B1 0 - 0.14868
57 A1 0 - 0.17098
58 B2 0 - 0.17216
59 B1 0 - 0.18197
60 A1 0 - 0.18745
61 B2 0 - 0.19059
62 A1 0 - 0.19779
63 B2 0 - 0.20712
64 A1 0 - 0.20838
65 A1 0 - 0.21239
66 B2 0 - 0.21698
67 A1 0 - 0.24215
68 B2 0 - 0.24223
69 B2 0 - 0.26013
70 A1 0 - 0.2681
71 A1 0 - 0.28223
72 B2 0 - 0.28288
73 B1 0 - 0.30844
74 A1 0 - 0.31836
75 B2 0 - 0.33681
76 A1 0 - 0.35608
77 B2 0 - 0.36727
78 A1 0 - 0.38228
79 B1 0 - 0.41409
80 A1 0 - 0.42815
81 B2 0 - 0.43545
82 A2 0 - 0.44301
83 B1 0 - 0.44862
84 B2 0 - 0.46126
85 A1 0 - 0.4681
86 A1 0 - 0.47726
87 A1 0 - 0.48492
88 B2 0 - 0.50892
89 B1 0 - 0.51252
90 A2 0 - 0.5158
91 B1 0 - 0.52194
92 A1 0 - 0.54464
93 B2 0 - 0.5579
94 B1 0 - 0.57581
95 B2 0 - 0.58451
96 A2 0 - 0.58824
97 A1 0 - 0.58965
98 A2 0 - 0.6267
99 A1 0 - 0.6295
100 B2 0 - 0.6314
101 B1 0 - 0.65104
102 A1 0 - 0.67138
103 B2 0 - 0.67767
104 B1 0 - 0.68976
105 A1 0 - 0.71544
106 A1 0 - 0.73686
107 A2 0 - 0.73728
108 A1 0 - 0.75259
109 B2 0 - 0.7592
110 B2 0 - 0.78502
111 B2 0 - 0.79896
112 A1 0 - 0.80741
113 A2 0 - 0.81667
114 A1 0 - 0.8199
115 B1 0 - 0.85052
116 A1 0 - 0.85268
117 B2 0 - 0.86622
118 A1 0 - 0.90217
119 B1 0 - 0.92779
120 B2 0 - 0.92839
121 A1 0 - 0.99925
122 B2 0 - 1.00273
123 A2 0 - 1.09755
124 B2 0 - 1.11201
125 A1 0 - 1.14673
126 B1 0 - 1.15372
127 A1 0 - 1.17834
128 A2 0 - 1.19869
129 B1 0 - 1.21261
130 A1 0 - 1.21281
131 A1 0 - 1.27362
132 A1 0 - 1.30815
133 B2 0 - 1.30908
134 B1 0 - 1.31471
135 B2 0 - 1.31674
136 B2 0 - 1.31913
137 A1 0 - 1.346
138 A1 0 - 1.37435
139 B1 0 - 1.39052
140 B2 0 - 1.45585
141 A1 0 - 1.49096
142 B2 0 - 1.50768
143 A2 0 - 1.54278
144 A1 0 - 1.54498
145 B2 0 - 1.58646
146 B2 0 - 1.60908
147 A1 0 - 1.65745
148 B1 0 - 1.72926
149 A1 0 - 1.73949
150 A2 0 - 1.75549
151 B2 0 - 1.78775
152 A1 0 - 1.85488
153 A2 0 - 1.965
154 B1 0 - 2.01017
155 A1 0 - 2.03747
156 A2 0 - 2.1186
157 B2 0 - 2.16582
158 A1 0 - 2.19162
159 B1 0 - 2.27711
160 A1 0 - 2.30172
161 B2 0 - 2.32236
162 A2 0 - 2.3553
163 A1 0 - 2.36859
164 B2 0 - 2.38835
165 B1 0 - 2.41425
166 A1 0 - 2.45571
167 B1 0 - 2.48265
168 B2 0 - 2.49964
169 A1 0 - 2.52387
170 B2 0 - 2.59829
171 B1 0 - 2.60192
172 A1 0 - 2.60623
173 A1 0 - 2.71644
174 B2 0 - 2.71754
175 A1 0 - 2.73087
176 B2 0 - 2.74346
177 B1 0 - 2.7944
178 A1 0 - 2.81332
179 B2 0 - 2.81853
180 A2 0 - 2.83142
181 A1 0 - 2.83176
182 A2 0 - 2.85117
183 B1 0 - 2.85923
184 B2 0 - 2.97087
185 A2 0 - 3.02321
186 B2 0 - 3.06244
187 A1 0 - 3.07424
188 A1 0 - 3.07908
189 B1 0 - 3.08781
190 B1 0 - 3.12532
191 B2 0 - 3.18391
192 A2 0 - 3.25174
193 A2 0 - 3.26922
194 B2 0 - 3.27438
195 A1 0 - 3.2793
196 B1 0 - 3.31669
197 B1 0 - 3.36056
198 A1 0 - 3.37109
199 B2 0 - 3.38168
200 A1 0 - 3.39564
201 B2 0 - 3.43031
202 A1 0 - 3.43196
203 A1 0 - 3.5035
204 B2 0 - 3.54421
205 A2 0 - 3.54499
206 B1 0 - 3.55845
207 B1 0 - 3.57479
208 A2 0 - 3.57721
209 A1 0 - 3.5994
210 B1 0 - 3.64173
211 A1 0 - 3.71204
212 B2 0 - 3.72865
213 A2 0 - 3.73421
214 B2 0 - 3.78786
215 A1 0 - 3.82106
216 A1 0 - 3.83351
217 B2 0 - 3.86333
218 B2 0 - 3.91963
219 A1 0 - 3.93671
220 B2 0 - 3.99469
221 A1 0 - 4.0317
222 A1 0 - 4.0902
223 A1 0 - 4.42303
224 B2 0 - 4.49999
225 A1 0 - 4.60697
226 A1 0 - 4.74544
227 B2 0 - 4.79538
228 B2 0 - 5.26134
229 B1 0 - 6.32105
230 B2 0 - 6.47036
231 A1 0 - 6.74352
232 A2 0 - 9.07288
233 A1 0 - 9.13021
234 B1 0 - 9.25348
235 B2 0 - 9.51291
236 A1 0 - 9.72055
237 A1 0 - 9.88163
238 A1 0 - 23.5707
239 B2 0 - 23.97554
240 A1 0 - 23.98373
241 A1 0 - 24.02771
242 B2 0 - 24.0713
243 A1 0 - 24.11027
244 B1 0 - 25.86858
245 B2 0 - 26.25056
246 A1 0 - 27.33182
247 A1 0 - 66.8455
248 A1 0 - 215.88066
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C -0.20673  
2 C -0.05755  
3 C -0.20673  
4 C -0.25064  
5 C 0.41050  
6 C -0.25064  
7 H 0.22801  
8 F -0.35348  
9 H 0.22801  
10 H 0.22562  
11 Cl 0.00802  
12 H 0.22562  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.998968791 - -10.054203700
2 C1 Val(2S) 0.946352182 - -0.187019078
3 C1 Ryd(4S) 0.001663586 - 1.124596959
4 C1 Ryd(3S) 0.000301374 - 1.001246624
5 C1 Ryd(5S) 0.000008293 - 21.529775387
6 C1 Val(2p) 0.991414963 - -0.134168852
7 C1 Ryd(4p) 0.000991063 - 0.483316859
8 C1 Ryd(3p) 0.000434672 - 0.289865852
9 C1 Ryd(5p) 0.000018678 - 2.767449914
10 C1 Val(2p) 1.160575133 - -0.095836552
11 C1 Ryd(4p) 0.005077458 - 0.960852645
12 C1 Ryd(3p) 0.000271857 - 0.410917751
13 C1 Ryd(5p) 0.000065957 - 3.416371348
14 C1 Val(2p) 1.088712466 - -0.083101917
15 C1 Ryd(4p) 0.005745454 - 0.910524588
16 C1 Ryd(3p) 0.000352982 - 0.573787062
17 C1 Ryd(5p) 0.000197880 - 3.444729737
18 C1 Ryd(3d) 0.000448676 - 1.385457428
19 C1 Ryd(4d) 0.000078813 - 2.903339833
20 C1 Ryd(3d) 0.000296732 - 1.437561110
21 C1 Ryd(4d) 0.000134462 - 2.939764471
22 C1 Ryd(3d) 0.000882049 - 2.068992930
23 C1 Ryd(4d) 0.000770350 - 3.491178015
24 C1 Ryd(3d) 0.001373729 - 1.754620303
25 C1 Ryd(4d) 0.000128878 - 3.262437583
26 C1 Ryd(3d) 0.001340842 - 2.153685357
27 C1 Ryd(4d) 0.000118892 - 3.441090646
28 C2 Cor(1S) 1.998536730 - -10.118556603
29 C2 Val(2S) 0.927234034 - -0.229310606
30 C2 Ryd(4S) 0.000844013 - 1.042297539
31 C2 Ryd(3S) 0.000210849 - 0.575232980
32 C2 Ryd(5S) 0.000012262 - 22.433409183
33 C2 Val(2p) 1.083398567 - -0.158363202
34 C2 Ryd(4p) 0.001005405 - 0.548915847
35 C2 Ryd(3p) 0.000378024 - 0.302879926
36 C2 Ryd(5p) 0.000033857 - 2.737337121
37 C2 Val(2p) 1.095219205 - -0.099526772
38 C2 Ryd(4p) 0.005927242 - 0.799934123
39 C2 Ryd(3p) 0.000301780 - 0.425300656
40 C2 Ryd(5p) 0.000165686 - 3.705817354
41 C2 Val(2p) 0.925400907 - -0.169052582
42 C2 Ryd(4p) 0.007006624 - 0.904442762
43 C2 Ryd(3p) 0.000215798 - 0.607739685
44 C2 Ryd(5p) 0.000244158 - 3.351844968
45 C2 Ryd(3d) 0.000186068 - 1.106414537
46 C2 Ryd(4d) 0.000208635 - 3.315119638
47 C2 Ryd(3d) 0.002265684 - 0.953837667
48 C2 Ryd(4d) 0.000215028 - 3.308709804
49 C2 Ryd(3d) 0.001535279 - 1.741318541
50 C2 Ryd(4d) 0.000521542 - 3.706785729
51 C2 Ryd(3d) 0.001339284 - 1.786380485
52 C2 Ryd(4d) 0.000355520 - 3.518999186
53 C2 Ryd(3d) 0.004453306 - 1.369296598
54 C2 Ryd(4d) 0.000334103 - 3.687195335
55 C3 Cor(1S) 1.998968791 - -10.054203700
56 C3 Val(2S) 0.946352182 - -0.187019078
57 C3 Ryd(4S) 0.001663586 - 1.124596960
58 C3 Ryd(3S) 0.000301373 - 1.001246768
59 C3 Ryd(5S) 0.000008293 - 21.529775242
60 C3 Val(2p) 0.991414963 - -0.134168852
61 C3 Ryd(4p) 0.000991063 - 0.483316859
62 C3 Ryd(3p) 0.000434672 - 0.289865852
63 C3 Ryd(5p) 0.000018678 - 2.767449913
64 C3 Val(2p) 1.160575133 - -0.095836552
65 C3 Ryd(4p) 0.005077458 - 0.960852645
66 C3 Ryd(3p) 0.000271857 - 0.410917753
67 C3 Ryd(5p) 0.000065957 - 3.416371346
68 C3 Val(2p) 1.088712466 - -0.083101917
69 C3 Ryd(4p) 0.005745454 - 0.910524588
70 C3 Ryd(3p) 0.000352982 - 0.573787063
71 C3 Ryd(5p) 0.000197880 - 3.444729736
72 C3 Ryd(3d) 0.000448676 - 1.385457428
73 C3 Ryd(4d) 0.000078813 - 2.903339833
74 C3 Ryd(3d) 0.000296732 - 1.437561110
75 C3 Ryd(4d) 0.000134462 - 2.939764471
76 C3 Ryd(3d) 0.000882049 - 2.068992930
77 C3 Ryd(4d) 0.000770350 - 3.491178015
78 C3 Ryd(3d) 0.001373729 - 1.754620303
79 C3 Ryd(4d) 0.000128878 - 3.262437583
80 C3 Ryd(3d) 0.001340842 - 2.153685357
81 C3 Ryd(4d) 0.000118892 - 3.441090646
82 C4 Cor(1S) 1.999021210 - -10.055239104
83 C4 Val(2S) 0.958226230 - -0.196049502
84 C4 Ryd(3S) 0.001504944 - 1.011548433
85 C4 Ryd(4S) 0.000074357 - 1.135569382
86 C4 Ryd(5S) 0.000010207 - 21.414638906
87 C4 Val(2p) 1.025466399 - -0.137136810
88 C4 Ryd(4p) 0.001064731 - 0.522542270
89 C4 Ryd(3p) 0.000385113 - 0.320833030
90 C4 Ryd(5p) 0.000021733 - 2.697228071
91 C4 Val(2p) 1.152487322 - -0.093169662
92 C4 Ryd(4p) 0.004441326 - 1.124099974
93 C4 Ryd(3p) 0.000286635 - 0.517323862
94 C4 Ryd(5p) 0.000133268 - 3.258268930
95 C4 Val(2p) 1.095717439 - -0.082201884
96 C4 Ryd(4p) 0.005517155 - 0.996884202
97 C4 Ryd(3p) 0.000291113 - 0.610767368
98 C4 Ryd(5p) 0.000181551 - 3.289319614
99 C4 Ryd(3d) 0.000686905 - 1.248145380
100 C4 Ryd(4d) 0.000030136 - 3.066452000
101 C4 Ryd(3d) 0.000269630 - 1.294652233
102 C4 Ryd(4d) 0.000135913 - 3.094323304
103 C4 Ryd(3d) 0.001026685 - 2.110582470
104 C4 Ryd(4d) 0.000783178 - 3.610394610
105 C4 Ryd(3d) 0.001520773 - 1.773231101
106 C4 Ryd(4d) 0.000106301 - 3.416421847
107 C4 Ryd(3d) 0.001020531 - 2.066026698
108 C4 Ryd(4d) 0.000231829 - 3.537810196
109 C5 Cor(1S) 1.998464947 - -10.148967796
110 C5 Val(2S) 0.833959652 - -0.171689833
111 C5 Ryd(3S) 0.001051623 - 1.469492757
112 C5 Ryd(4S) 0.000099036 - 5.041242366
113 C5 Ryd(5S) 0.000013519 - 16.024771599
114 C5 Val(2p) 0.998406694 - -0.146430307
115 C5 Ryd(4p) 0.001122571 - 0.683923919
116 C5 Ryd(3p) 0.000454668 - 0.331329700
117 C5 Ryd(5p) 0.000114428 - 2.542102359
118 C5 Val(2p) 1.086944000 - -0.086680568
119 C5 Ryd(4p) 0.003882147 - 1.512597554
120 C5 Ryd(3p) 0.000509003 - 0.462582362
121 C5 Ryd(5p) 0.000361702 - 2.439774229
122 C5 Val(2p) 0.646050582 - -0.068606279
123 C5 Ryd(4p) 0.010076928 - 1.101560622
124 C5 Ryd(3p) 0.000403938 - 0.575497521
125 C5 Ryd(5p) 0.000166899 - 3.006979967
126 C5 Ryd(3d) 0.000376619 - 2.073612276
127 C5 Ryd(4d) 0.000036027 - 2.339440718
128 C5 Ryd(3d) 0.001599865 - 2.081004135
129 C5 Ryd(4d) 0.000170768 - 2.269378077
130 C5 Ryd(3d) 0.001540553 - 2.710023076
131 C5 Ryd(4d) 0.000249057 - 3.170924097
132 C5 Ryd(3d) 0.000798180 - 2.669153873
133 C5 Ryd(4d) 0.000630544 - 2.724391623
134 C5 Ryd(3d) 0.001259224 - 2.453495703
135 C5 Ryd(4d) 0.000761462 - 3.104825769
136 C6 Cor(1S) 1.999021210 - -10.055239104
137 C6 Val(2S) 0.958226230 - -0.196049502
138 C6 Ryd(3S) 0.001504944 - 1.011548440
139 C6 Ryd(4S) 0.000074357 - 1.135570020
140 C6 Ryd(5S) 0.000010207 - 21.414638260
141 C6 Val(2p) 1.025466399 - -0.137136810
142 C6 Ryd(4p) 0.001064731 - 0.522542270
143 C6 Ryd(3p) 0.000385113 - 0.320833029
144 C6 Ryd(5p) 0.000021733 - 2.697228072
145 C6 Val(2p) 1.152487322 - -0.093169662
146 C6 Ryd(4p) 0.004441326 - 1.124099974
147 C6 Ryd(3p) 0.000286635 - 0.517323859
148 C6 Ryd(5p) 0.000133268 - 3.258268933
149 C6 Val(2p) 1.095717439 - -0.082201884
150 C6 Ryd(4p) 0.005517155 - 0.996884202
151 C6 Ryd(3p) 0.000291113 - 0.610767365
152 C6 Ryd(5p) 0.000181551 - 3.289319617
153 C6 Ryd(3d) 0.000686905 - 1.248145380
154 C6 Ryd(4d) 0.000030136 - 3.066452000
155 C6 Ryd(3d) 0.000269630 - 1.294652233
156 C6 Ryd(4d) 0.000135913 - 3.094323304
157 C6 Ryd(3d) 0.001026685 - 2.110582470
158 C6 Ryd(4d) 0.000783178 - 3.610394610
159 C6 Ryd(3d) 0.001520773 - 1.773231101
160 C6 Ryd(4d) 0.000106301 - 3.416421847
161 C6 Ryd(3d) 0.001020531 - 2.066026698
162 C6 Ryd(4d) 0.000231829 - 3.537810196
163 H7 Val(1S) 0.770412450 - 0.026708322
164 H7 Ryd(2S) 0.000750540 - 1.090954048
165 H7 Ryd(3S) 0.000156673 - 1.806751973
166 H7 Ryd(2p) 0.000211441 - 1.914907167
167 H7 Ryd(2p) 0.000309122 - 2.795158479
168 H7 Ryd(2p) 0.000154503 - 2.648743904
169 F8 Cor(1S) 1.999923994 - -24.442123989
170 F8 Val(2S) 1.828256795 - -1.279674835
171 F8 Ryd(3S) 0.000527363 - 1.456611022
172 F8 Ryd(4S) 0.000115810 - 1.839628566
173 F8 Ryd(5S) 0.000000116 - 66.608275447
174 F8 Val(2p) 1.927015787 - -0.428700515
175 F8 Ryd(3p) 0.000923139 - 0.429046511
176 F8 Ryd(4p) 0.000057089 - 1.282293536
177 F8 Ryd(5p) 0.000002555 - 6.275819825
178 F8 Val(2p) 1.971190982 - -0.428736285
179 F8 Ryd(3p) 0.002576549 - 0.558959930
180 F8 Ryd(4p) 0.000014438 - 1.506068531
181 F8 Ryd(5p) 0.000003042 - 6.386601179
182 F8 Val(2p) 1.617556646 - -0.439894701
183 F8 Ryd(3p) 0.000626646 - 0.433556253
184 F8 Ryd(4p) 0.000081684 - 1.571871017
185 F8 Ryd(5p) 0.000046022 - 6.294200968
186 F8 Ryd(3d) 0.000010770 - 2.159165811
187 F8 Ryd(4d) 0.000000763 - 9.029408737
188 F8 Ryd(3d) 0.001221185 - 2.397636421
189 F8 Ryd(4d) 0.000004684 - 9.227963786
190 F8 Ryd(3d) 0.001153517 - 2.820240734
191 F8 Ryd(4d) 0.000021806 - 9.443463549
192 F8 Ryd(3d) 0.000039481 - 2.237274767
193 F8 Ryd(4d) 0.000003704 - 9.074601708
194 F8 Ryd(3d) 0.002101182 - 2.942366798
195 F8 Ryd(4d) 0.000004242 - 9.558171738
196 H9 Val(1S) 0.770412450 - 0.026708322
197 H9 Ryd(2S) 0.000750540 - 1.090954047
198 H9 Ryd(3S) 0.000156673 - 1.806751973
199 H9 Ryd(2p) 0.000211441 - 1.914907167
200 H9 Ryd(2p) 0.000309122 - 2.795158479
201 H9 Ryd(2p) 0.000154503 - 2.648743904
202 H10 Val(1S) 0.772656099 - 0.030542436
203 H10 Ryd(2S) 0.000851951 - 1.032758594
204 H10 Ryd(3S) 0.000199245 - 1.929437915
205 H10 Ryd(2p) 0.000226485 - 1.900281175
206 H10 Ryd(2p) 0.000313204 - 2.814971151
207 H10 Ryd(2p) 0.000133096 - 2.617427920
208 Cl11 Cor(1S) 1.999999909 - -100.261351245
209 Cl11 Cor(2S) 1.999700348 - -10.455515240
210 Cl11 Val(3S) 1.835348750 - -1.006532453
211 Cl11 Ryd(5S) 0.001929687 - 1.046810235
212 Cl11 Ryd(4S) 0.000095051 - 0.858797815
213 Cl11 Ryd(6S) 0.000001446 - 17.573534178
214 Cl11 Ryd(7S) 0.000000002 - 207.711963271
215 Cl11 Cor(2p) 1.999993632 - -7.226073237
216 Cl11 Val(3p) 1.930717607 - -0.327235511
217 Cl11 Ryd(4p) 0.001781406 - 0.449751719
218 Cl11 Ryd(5p) 0.000117282 - 0.869696985
219 Cl11 Ryd(6p) 0.000002420 - 3.917800890
220 Cl11 Ryd(7p) 0.000000913 - 23.473690636
221 Cl11 Cor(2p) 1.999992427 - -7.225786765
222 Cl11 Val(3p) 1.970537801 - -0.328523669
223 Cl11 Ryd(4p) 0.002126533 - 0.468243159
224 Cl11 Ryd(5p) 0.000115364 - 0.978580013
225 Cl11 Ryd(6p) 0.000009792 - 4.231504459
226 Cl11 Ryd(7p) 0.000002067 - 23.411092486
227 Cl11 Cor(2p) 1.999913617 - -7.233752600
228 Cl11 Val(3p) 1.237242066 - -0.277914839
229 Cl11 Ryd(4p) 0.003491078 - 0.438385513
230 Cl11 Ryd(5p) 0.000133481 - 0.968085019
231 Cl11 Ryd(6p) 0.000009136 - 5.610048620
232 Cl11 Ryd(7p) 0.000002081 - 22.967271612
233 Cl11 Ryd(3d) 0.000066485 - 0.719984495
234 Cl11 Ryd(4d) 0.000013421 - 2.168806815
235 Cl11 Ryd(3d) 0.003406059 - 0.888448193
236 Cl11 Ryd(4d) 0.000058798 - 2.407365217
237 Cl11 Ryd(3d) 0.001014038 - 1.172798885
238 Cl11 Ryd(4d) 0.000016580 - 2.595328388
239 Cl11 Ryd(3d) 0.000084614 - 0.760000011
240 Cl11 Ryd(4d) 0.000019971 - 2.257837787
241 Cl11 Ryd(3d) 0.003968230 - 1.722099944
242 Cl11 Ryd(4d) 0.000066417 - 2.778058587
243 H12 Val(1S) 0.772656099 - 0.030542436
244 H12 Ryd(2S) 0.000851951 - 1.032758595
245 H12 Ryd(3S) 0.000199245 - 1.929437914
246 H12 Ryd(2p) 0.000226485 - 1.900281175
247 H12 Ryd(2p) 0.000313204 - 2.814971151
248 H12 Ryd(2p) 0.000133096 - 2.617427920

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(C2) 1s(35.51%)p1.81(64.37%)d0.00(0.12%) 0.994572263 - -0.092302963
2 BD(1)C2(C1) 2s(38.58%)p1.59(61.33%)d0.00(0.08%) 1.012242167 - -0.110619704
3 BD(1)C1(C6) 1s(35.37%)p1.82(64.49%)d0.00(0.14%) 0.990478365 - -0.091559930
4 BD(1)C6(C1) 6s(36.09%)p1.77(63.79%)d0.00(0.12%) 0.991089026 - -0.086764256
5 BD(2)C1(C6) 1s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.992302179 - -0.135182600
6 BD(2)C6(C1) 6s(0.00%)p1.00(99.96%)d0.00(0.04%) 1.026788124 - -0.138118365
7 BD(1)C1(H12) 1s(29.00%)p2.45(70.95%)d0.00(0.05%) 1.218115584 - -0.162734164
8 BD(1)H12(C1) 12s(99.96%)p0.00(0.04%) 0.772987654 - 0.032974872
9 BD(1)C2(C3) 2s(38.58%)p1.59(61.33%)d0.00(0.08%) 1.012242167 - -0.110619704
10 BD(1)C3(C2) 3s(35.51%)p1.81(64.37%)d0.00(0.12%) 0.994572263 - -0.092302963
11 BD(2)C2(C3) 2s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.084180046 - -0.158346128
12 BD(2)C3(C2) 3s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.992193188 - -0.133725861
13 BD(1)C2(Cl11) 2s(22.53%)p3.42(77.02%)d0.02(0.45%) 0.930436151 - -0.265110186
14 BD(1)Cl11(C2) 11s(17.52%)p4.69(82.14%)d0.02(0.34%) 1.089282844 - -0.325527950
15 BD(1)C3(C4) 3s(35.37%)p1.82(64.49%)d0.00(0.14%) 0.990478365 - -0.091559930
16 BD(1)C4(C3) 4s(36.09%)p1.77(63.79%)d0.00(0.12%) 0.991089026 - -0.086764256
17 BD(1)C3(H10) 3s(29.00%)p2.45(70.95%)d0.00(0.05%) 1.218115584 - -0.162734164
18 BD(1)H10(C3) 10s(99.96%)p0.00(0.04%) 0.772987654 - 0.032974872
19 BD(1)C4(C5) 4s(34.26%)p1.91(65.58%)d0.00(0.15%) 1.005105667 - -0.098335427
20 BD(1)C5(C4) 5s(38.90%)p1.57(61.05%)d0.00(0.05%) 1.001742682 - -0.098526731
21 BD(2)C4(C5) 4s(0.00%)p1.00(99.94%)d0.00(0.06%) 1.026779621 - -0.138101925
22 BD(2)C5(C4) 5s(0.00%)p1.00(99.93%)d0.00(0.07%) 0.999830538 - -0.148023276
23 BD(1)C4(H9) 4s(29.50%)p2.39(70.45%)d0.00(0.05%) 1.217564228 - -0.165595226
24 BD(1)H9(C4) 9s(99.96%)p0.00(0.04%) 0.770759708 - 0.029007377
25 BD(1)C5(C6) 5s(38.90%)p1.57(61.05%)d0.00(0.05%) 1.001742682 - -0.098526731
26 BD(1)C6(C5) 6s(34.26%)p1.91(65.58%)d0.00(0.15%) 1.005105667 - -0.098335427
27 BD(1)C5(F8) 5s(21.94%)p3.55(77.84%)d0.01(0.22%) 0.568584702 - -0.106994505
28 BD(1)F8(C5) 8s(30.40%)p2.29(69.48%)d0.00(0.13%) 1.458766168 - -0.672372160
29 BD(1)C6(H7) 6s(29.50%)p2.39(70.45%)d0.00(0.05%) 1.217564228 - -0.165595226
30 BD(1)H7(C6) 7s(99.96%)p0.00(0.04%) 0.770759708 - 0.029007377
31 CR(1)C1 s(100.00%)p0.00(0.00%) 1.998970919 - -10.054652560
32 CR(1)C2 s(100.00%) 1.998540973 - -10.118524737
33 CR(1)C3 s(100.00%)p0.00(0.00%) 1.998970919 - -10.054652560
34 CR(1)C4 s(100.00%)p0.00(0.00%) 1.999022384 - -10.055604600
35 CR(1)C5 s(100.00%)p0.00(0.00%) 1.998475858 - -10.149015646
36 CR(1)C6 s(100.00%)p0.00(0.00%) 1.999022384 - -10.055604600
37 CR(1)F8 s(100.00%)p0.00(0.00%) 1.999923752 - -24.442738286
38 CR(1)Cl11 s(100.00%) 1.999999909 - -100.261357638
39 CR(2)Cl11 s(100.00%)p0.00(0.00%) 1.999698937 - -10.456225438
40 CR(3)Cl11 s(0.00%)p1.00(100.00%) 1.999993615 - -7.226056696
41 CR(4)Cl11 s(0.00%)p1.00(100.00%) 1.999992400 - -7.225807574
42 CR(5)Cl11 s(0.00%)p1.00(100.00%) 1.999913448 - -7.233691968
43 LP(1)F8 s(69.60%)p0.44(30.39%)d0.00(0.01%) 1.989597547 - -1.047429353
44 LP(2)F8 s(0.00%)p1.00(99.95%)d0.00(0.05%) 1.972372056 - -0.430284199
45 LP(3)F8 s(0.00%)p1.00(99.95%)d0.00(0.05%) 1.928085627 - -0.429841037
46 LP(1)Cl11 s(82.60%)p0.21(17.39%)d0.00(0.01%) 1.992036363 - -0.938760097
47 LP(2)Cl11 s(0.00%)p1.00(99.99%)d0.00(0.01%) 1.971258252 - -0.328602237
48 LP(3)Cl11 s(0.00%)p1.00(99.98%)d0.00(0.02%) 1.931499705 - -0.327404485
49 RY*(1)C1 s(2.06%)p42.89(88.15%)d4.77(9.80%) 0.005654703 - 1.168222641
50 RY*(2)C1 s(0.60%)p99.99(97.84%)d2.59(1.56%) 0.002791102 - 1.013404673
51 RY*(3)C1 s(57.78%)p0.28(16.46%)d0.45(25.76%) 0.000926921 - 1.087133177
52 RY*(4)C1 s(0.00%)p1.00(71.25%)d0.40(28.75%) 0.000867385 - 0.946316292
53 RY*(5)C1 s(23.20%)p0.39(9.05%)d2.92(67.75%) 0.000696992 - 1.885271621
54 RY*(6)C1 s(0.00%)p1.00(5.68%)d16.60(94.32%) 0.000388018 - 1.851295611
55 RY*(7)C1 s(37.73%)p0.98(36.86%)d0.67(25.41%) 0.000289304 - 2.512761955
56 RY*(8)C1 s(0.00%)p1.00(60.60%)d0.65(39.40%) 0.000242976 - 1.239008397
57 RY*(9)C1 s(4.68%)p15.70(73.53%)d4.65(21.79%) 0.000164696 - 1.303904438
58 RY*(10)C1 s(15.63%)p2.53(39.55%)d2.87(44.81%) 0.000089994 - 2.262427002
59 RY*(11)C1 s(11.91%)p2.01(23.91%)d5.39(64.18%) 0.000069164 - 2.447986849
60 RY*(12)C1 s(12.79%)p2.28(29.12%)d4.54(58.08%) 0.000043847 - 1.787351997
61 RY*(13)C1 s(22.15%)p2.24(49.70%)d1.27(28.15%) 0.000023232 - 1.499118122
62 RY*(14)C1 s(0.00%)p1.00(0.42%)d99.99(99.58%) 0.000002574 - 2.627520255
63 RY*(15)C1 s(5.50%)p13.55(74.54%)d3.63(19.96%) 0.000006216 - 2.848427895
64 RY*(16)C1 s(0.00%)p1.00(10.93%)d8.15(89.07%) 0.000010596 - 2.003829462
65 RY*(17)C1 s(0.00%)p1.00(98.39%)d0.02(1.61%) 0.000000000 - 2.809400975
66 RY*(18)C1 s(95.12%)p0.03(2.88%)d0.02(1.99%) 0.000000382 - 20.413053421
67 RY*(19)C1 s(8.31%)p3.77(31.32%)d7.27(60.37%) 0.000005379 - 3.015238327
68 RY*(20)C1 s(0.12%)p65.48(7.97%)d99.99(91.90%) 0.000003982 - 3.332317218
69 RY*(21)C1 s(0.00%)p1.00(52.78%)d0.89(47.22%) 0.000004333 - 0.730398224
70 RY*(22)C1 s(2.53%)p7.64(19.30%)d30.94(78.17%) 0.000005106 - 2.949275973
71 RY*(1)C2 s(0.54%)p99.99(93.49%)d11.14(5.98%) 0.006893117 - 0.997265890
72 RY*(2)C2 s(0.00%)p1.00(88.85%)d0.13(11.15%) 0.006451882 - 0.791237194
73 RY*(3)C2 s(0.00%)p1.00(28.20%)d2.55(71.80%) 0.003000598 - 0.848341153
74 RY*(4)C2 s(42.74%)p0.11(4.75%)d1.23(52.51%) 0.000836563 - 0.926144785
75 RY*(5)C2 s(0.00%)p1.00(21.80%)d3.59(78.20%) 0.000816709 - 1.942212518
76 RY*(6)C2 s(14.46%)p0.23(3.28%)d5.69(82.26%) 0.000571350 - 2.222792550
77 RY*(7)C2 s(0.00%)p1.00(58.87%)d0.70(41.13%) 0.000452170 - 1.846269711
78 RY*(8)C2 s(0.00%)p1.00(0.03%)d99.99(99.97%) 0.000457594 - 2.630504023
79 RY*(9)C2 s(54.34%)p0.02(1.19%)d0.82(44.47%) 0.000143508 - 1.338275393
80 RY*(10)C2 s(36.60%)p0.24(8.85%)d1.49(54.55%) 0.000113377 - 3.198308367
81 RY*(11)C2 s(7.65%)p11.21(85.78%)d0.86(6.57%) 0.000048155 - 5.092202975
82 RY*(12)C2 s(0.00%)p1.00(60.99%)d0.64(39.01%) 0.000044027 - 2.088053304
83 RY*(13)C2 s(0.00%)p1.00(96.20%)d0.04(3.80%) 0.000032279 - 3.050522447
84 RY*(14)C2 s(16.41%)p0.28(4.67%)d4.81(78.92%) 0.000011557 - 2.973610643
85 RY*(15)C2 s(89.43%)p0.10(9.21%)d0.02(1.37%) 0.000002733 - 19.116958747
86 RY*(16)C2 s(0.00%)p1.00(35.64%)d1.81(64.36%) 0.000002067 - 1.741070215
87 RY*(17)C2 s(12.37%)p7.00(86.58%)d0.09(1.06%) 0.000008144 - 0.725241046
88 RY*(18)C2 s(0.00%)p1.00(34.32%)d1.91(65.68%) 0.000008007 - 2.740167856
89 RY*(19)C2 s(0.00%)p1.00(95.47%)d0.05(4.53%) 0.000005794 - 0.465109906
90 RY*(20)C2 s(25.76%)p0.10(2.48%)d2.79(71.76%) 0.000007314 - 2.683212772
91 RY*(21)C2 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 - 1.789453196
92 RY*(22)C2 s(0.00%)p1.00(79.69%)d0.25(20.31%) 0.000001141 - 2.710665668
93 RY*(1)C3 s(2.06%)p42.89(88.15%)d4.77(9.80%) 0.005654703 - 1.168222642
94 RY*(2)C3 s(0.60%)p99.99(97.84%)d2.59(1.56%) 0.002791102 - 1.013404673
95 RY*(3)C3 s(0.00%)p1.00(71.24%)d0.40(28.76%) 0.001009673 - 0.992912830
96 RY*(4)C3 s(57.78%)p0.28(16.46%)d0.45(25.76%) 0.000926921 - 1.087133181
97 RY*(5)C3 s(23.20%)p0.39(9.05%)d2.92(67.75%) 0.000696992 - 1.885271647
98 RY*(6)C3 s(0.00%)p1.00(9.06%)d10.04(90.94%) 0.000368202 - 1.571474522
99 RY*(7)C3 s(37.73%)p0.98(36.86%)d0.67(25.41%) 0.000289303 - 2.512761976
100 RY*(8)C3 s(0.00%)p1.00(57.21%)d0.75(42.79%) 0.000229405 - 1.475600024
101 RY*(9)C3 s(4.68%)p15.70(73.53%)d4.65(21.79%) 0.000164696 - 1.303904342
102 RY*(10)C3 s(15.63%)p2.53(39.55%)d2.87(44.81%) 0.000089994 - 2.262427204
103 RY*(11)C3 s(11.91%)p2.01(23.91%)d5.39(64.18%) 0.000069164 - 2.447986396
104 RY*(12)C3 s(12.79%)p2.28(29.12%)d4.54(58.08%) 0.000043847 - 1.787352917
105 RY*(13)C3 s(22.15%)p2.24(49.70%)d1.27(28.15%) 0.000023232 - 1.499121033
106 RY*(14)C3 s(0.00%)p1.00(0.43%)d99.99(99.57%) 0.000002595 - 2.624738624
107 RY*(15)C3 s(5.50%)p13.55(74.53%)d3.63(19.97%) 0.000006215 - 2.848700936
108 RY*(16)C3 s(0.00%)p1.00(11.01%)d8.08(88.99%) 0.000010673 - 2.000905913
109 RY*(17)C3 s(0.00%)p1.00(98.39%)d0.02(1.61%) 0.000000000 - 2.809229429
110 RY*(18)C3 s(95.12%)p0.03(2.88%)d0.02(2.00%) 0.000000382 - 20.412982310
111 RY*(19)C3 s(8.31%)p3.77(31.32%)d7.27(60.37%) 0.000005379 - 3.015314920
112 RY*(20)C3 s(0.12%)p65.43(7.96%)d99.99(91.91%) 0.000003978 - 3.332732125
113 RY*(21)C3 s(0.00%)p1.00(52.71%)d0.90(47.29%) 0.000004324 - 0.731451136
114 RY*(22)C3 s(2.53%)p7.65(19.32%)d30.93(78.15%) 0.000005112 - 2.948579005
115 RY*(1)C4 s(0.26%)p99.99(84.95%)d57.61(14.80%) 0.005403507 - 1.308975404
116 RY*(2)C4 s(0.18%)p99.99(97.53%)d12.62(2.28%) 0.002682956 - 1.081115698
117 RY*(3)C4 s(58.28%)p0.17(9.90%)d0.55(31.82%) 0.000809536 - 1.837106412
118 RY*(4)C4 s(0.00%)p1.00(58.29%)d0.72(41.71%) 0.000696500 - 0.660735068
119 RY*(5)C4 s(0.00%)p1.00(16.32%)d5.13(83.68%) 0.000428225 - 2.188481469
120 RY*(6)C4 s(12.72%)p3.12(39.68%)d3.74(47.60%) 0.000313812 - 1.690018863
121 RY*(7)C4 s(23.39%)p1.69(39.59%)d1.58(37.02%) 0.000289489 - 1.999586094
122 RY*(8)C4 s(0.00%)p1.00(38.28%)d1.61(61.72%) 0.000155016 - 0.945884474
123 RY*(9)C4 s(27.00%)p1.39(37.64%)d1.31(35.36%) 0.000117972 - 2.010067325
124 RY*(10)C4 s(1.97%)p22.01(43.28%)d27.84(54.76%) 0.000079151 - 2.947625191
125 RY*(11)C4 s(4.02%)p4.05(16.28%)d19.84(79.71%) 0.000041579 - 2.966685763
126 RY*(12)C4 s(5.01%)p13.47(67.48%)d5.49(27.51%) 0.000034675 - 2.823814258
127 RY*(13)C4 s(7.34%)p7.36(54.02%)d5.26(38.64%) 0.000007379 - 2.094687984
128 RY*(14)C4 s(0.00%)p1.00(0.81%)d99.99(99.19%) 0.000000740 - 2.913846126
129 RY*(15)C4 s(51.41%)p0.62(32.13%)d0.32(16.46%) 0.000004922 - 1.244750567
130 RY*(16)C4 s(0.00%)p1.00(1.80%)d54.57(98.20%) 0.000000405 - 2.360188712
131 RY*(17)C4 s(0.00%)p1.00(85.86%)d0.16(14.14%) 0.000000013 - 0.381581942
132 RY*(18)C4 s(9.66%)p2.47(23.89%)d6.88(66.45%) 0.000009312 - 2.808707499
133 RY*(19)C4 s(0.00%)p1.00(98.72%)d0.01(1.28%) 0.000000042 - 2.794423611
134 RY*(20)C4 s(91.46%)p0.08(7.71%)d0.01(0.83%) 0.000001201 - 20.132405237
135 RY*(21)C4 s(0.63%)p50.82(31.88%)d99.99(67.49%) 0.000003095 - 1.751063224
136 RY*(22)C4 s(6.82%)p2.09(14.23%)d11.58(78.95%) 0.000002160 - 3.155917429
137 RY*(1)C5 s(2.84%)p33.34(94.69%)d0.87(2.47%) 0.008046164 - 1.086707989
138 RY*(2)C5 s(0.00%)p1.00(93.37%)d0.07(6.63%) 0.004047905 - 1.738847895
139 RY*(3)C5 s(0.00%)p1.00(17.42%)d4.74(82.58%) 0.001785286 - 1.431321889
140 RY*(4)C5 s(0.00%)p1.00(40.46%)d1.47(59.54%) 0.001588963 - 1.906252349
141 RY*(5)C5 s(21.66%)p0.25(5.45%)d3.37(72.90%) 0.001548038 - 2.149797359
142 RY*(6)C5 s(39.21%)p0.01(0.50%)d1.54(60.29%) 0.000666278 - 1.992423450
143 RY*(7)C5 s(0.00%)p1.00(0.07%)d99.99(99.93%) 0.000487801 - 2.736497971
144 RY*(8)C5 s(0.00%)p1.00(31.27%)d2.20(68.73%) 0.000349401 - 2.397209170
145 RY*(9)C5 s(36.69%)p0.34(12.41%)d1.39(50.90%) 0.000214936 - 1.538400789
146 RY*(10)C5 s(0.00%)p1.00(80.58%)d0.24(19.42%) 0.000177021 - 1.115082978
147 RY*(11)C5 s(17.54%)p0.69(12.09%)d4.01(70.36%) 0.000135401 - 4.408955515
148 RY*(12)C5 s(65.14%)p0.31(20.02%)d0.23(14.85%) 0.000034508 - 5.487046400
149 RY*(13)C5 s(0.00%)p1.00(99.82%)d0.00(0.18%) 0.000010741 - 1.472171480
150 RY*(14)C5 s(19.46%)p3.98(77.51%)d0.16(3.03%) 0.000013215 - 2.698820618
151 RY*(15)C5 s(0.00%)p1.00(87.27%)d0.15(12.73%) 0.000000224 - 0.664324496
152 RY*(16)C5 s(0.00%)p1.00(17.18%)d4.82(82.82%) 0.000000184 - 1.988918488
153 RY*(17)C5 s(84.45%)p0.15(12.56%)d0.04(2.98%) 0.000001113 - 13.607592450
154 RY*(18)C5 s(0.00%)p1.00(35.12%)d1.85(64.88%) 0.000009038 - 2.772655928
155 RY*(19)C5 s(8.14%)p0.60(4.90%)d10.68(86.96%) 0.000003728 - 3.524894361
156 RY*(20)C5 s(0.00%)p1.00(97.54%)d0.03(2.46%) 0.000000585 - 2.713223683
157 RY*(21)C5 s(5.14%)p11.66(59.89%)d6.81(34.97%) 0.000007643 - 1.662656500
158 RY*(22)C5 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 1.673014648
159 RY*(1)C6 s(0.26%)p99.99(84.95%)d57.61(14.80%) 0.005403507 - 1.308975404
160 RY*(2)C6 s(0.18%)p99.99(97.53%)d12.62(2.28%) 0.002682956 - 1.081115699
161 RY*(3)C6 s(58.28%)p0.17(9.90%)d0.55(31.82%) 0.000809536 - 1.837106428
162 RY*(4)C6 s(0.00%)p1.00(65.57%)d0.53(34.43%) 0.000665042 - 0.522493303
163 RY*(5)C6 s(0.00%)p1.00(9.51%)d9.51(90.49%) 0.000456303 - 2.288790335
164 RY*(6)C6 s(12.72%)p3.12(39.68%)d3.74(47.60%) 0.000313812 - 1.690019862
165 RY*(7)C6 s(23.39%)p1.69(39.59%)d1.58(37.02%) 0.000289489 - 1.999585224
166 RY*(8)C6 s(0.00%)p1.00(37.77%)d1.65(62.23%) 0.000149895 - 0.981952284
167 RY*(9)C6 s(27.00%)p1.39(37.64%)d1.31(35.36%) 0.000117972 - 2.010067847
168 RY*(10)C6 s(1.97%)p22.01(43.28%)d27.84(54.76%) 0.000079151 - 2.947625155
169 RY*(11)C6 s(4.02%)p4.05(16.28%)d19.84(79.71%) 0.000041579 - 2.966685862
170 RY*(12)C6 s(5.01%)p13.47(67.48%)d5.49(27.51%) 0.000034675 - 2.823813607
171 RY*(13)C6 s(7.34%)p7.36(54.02%)d5.26(38.64%) 0.000007379 - 2.094687587
172 RY*(14)C6 s(0.00%)p1.00(0.30%)d99.99(99.70%) 0.000000754 - 2.916407086
173 RY*(15)C6 s(51.41%)p0.62(32.13%)d0.32(16.46%) 0.000004922 - 1.244751348
174 RY*(16)C6 s(0.00%)p1.00(1.75%)d56.08(98.25%) 0.000000393 - 2.379367832
175 RY*(17)C6 s(0.00%)p1.00(86.57%)d0.16(13.43%) 0.000000003 - 0.362351126
176 RY*(18)C6 s(9.66%)p2.47(23.89%)d6.88(66.45%) 0.000009312 - 2.808707221
177 RY*(19)C6 s(0.00%)p1.00(98.56%)d0.01(1.44%) 0.000000046 - 2.793795877
178 RY*(20)C6 s(91.46%)p0.08(7.71%)d0.01(0.83%) 0.000001201 - 20.132405497
179 RY*(21)C6 s(0.63%)p50.82(31.88%)d99.99(67.49%) 0.000003095 - 1.751063122
180 RY*(22)C6 s(6.82%)p2.09(14.23%)d11.58(78.95%) 0.000002160 - 3.155917085
181 RY*(1)H7 s(99.93%)p0.00(0.07%) 0.000751611 - 1.097028635
182 RY*(2)H7 s(0.00%)p1.00(100.00%) 0.000211441 - 1.914907167
183 RY*(3)H7 s(87.31%)p0.15(12.69%) 0.000173420 - 2.060750981
184 RY*(4)H7 s(10.35%)p8.66(89.65%) 0.000052228 - 2.612462033
185 RY*(5)H7 s(2.45%)p39.89(97.55%) 0.000046320 - 2.569067700
186 RY*(1)F8 s(0.00%)p1.00(98.33%)d0.02(1.67%) 0.002514050 - 0.611336170
187 RY*(2)F8 s(0.00%)p1.00(84.86%)d0.18(15.14%) 0.001118696 - 0.856361181
188 RY*(3)F8 s(54.03%)p0.81(43.99%)d0.04(1.99%) 0.000564657 - 1.214191927
189 RY*(4)F8 s(39.58%)p1.33(52.52%)d0.20(7.89%) 0.000364654 - 0.985770734
190 RY*(5)F8 s(0.00%)p1.00(1.92%)d51.16(98.08%) 0.000065105 - 3.243995336
191 RY*(6)F8 s(3.42%)p21.90(74.97%)d6.31(21.61%) 0.000040124 - 3.975902694
192 RY*(7)F8 s(0.00%)p1.00(97.25%)d0.03(2.75%) 0.000019611 - 1.109716513
193 RY*(8)F8 s(0.00%)p1.00(99.36%)d0.01(0.64%) 0.000008608 - 1.627814523
194 RY*(9)F8 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000011533 - 2.356433397
195 RY*(10)F8 s(7.88%)p9.77(77.03%)d1.91(15.09%) 0.000010264 - 2.808530659
196 RY*(11)F8 s(0.00%)p1.00(100.00%) 0.000000004 - 6.227628311
197 RY*(12)F8 s(85.78%)p0.00(0.23%)d0.16(13.99%) 0.000003945 - 1.717788655
198 RY*(13)F8 s(0.00%)p1.00(99.50%)d0.00(0.50%) 0.000000064 - 6.374622953
199 RY*(14)F8 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 8.832141151
200 RY*(15)F8 s(0.00%)p1.00(17.35%)d4.76(82.65%) 0.000000493 - 2.287061476
201 RY*(16)F8 s(0.00%)p1.00(0.60%)d99.99(99.40%) 0.000000009 - 9.133133120
202 RY*(17)F8 s(99.83%)p0.00(0.15%)d0.00(0.02%) 0.000000021 - 66.626398014
203 RY*(18)F8 s(0.00%)p1.00(0.95%)d99.99(99.05%) 0.000000452 - 8.859112856
204 RY*(19)F8 s(9.00%)p4.20(37.79%)d5.91(53.21%) 0.000002660 - 3.689146067
205 RY*(20)F8 s(0.22%)p4.53(0.98%)d99.99(98.80%) 0.000000906 - 9.002554223
206 RY*(21)F8 s(0.24%)p51.38(12.08%)d99.99(87.69%) 0.000008712 - 2.450436624
207 RY*(22)F8 s(0.03%)p11.58(0.39%)d99.99(99.58%) 0.000000274 - 9.546684959
208 RY*(1)H9 s(99.93%)p0.00(0.07%) 0.000751611 - 1.097028634
209 RY*(2)H9 s(0.00%)p1.00(100.00%) 0.000211441 - 1.914907167
210 RY*(3)H9 s(87.31%)p0.15(12.69%) 0.000173420 - 2.060750981
211 RY*(4)H9 s(10.35%)p8.66(89.65%) 0.000052228 - 2.612462033
212 RY*(5)H9 s(2.45%)p39.89(97.55%) 0.000046320 - 2.569067700
213 RY*(1)H10 s(99.09%)p0.01(0.91%) 0.000860235 - 1.086511869
214 RY*(2)H10 s(91.03%)p0.10(8.97%) 0.000216875 - 2.122644625
215 RY*(3)H10 s(0.00%)p1.00(100.00%) 0.000226485 - 1.900281175
216 RY*(4)H10 s(0.49%)p99.99(99.51%) 0.000056774 - 2.564730126
217 RY*(5)H10 s(9.43%)p9.60(90.57%) 0.000032057 - 2.618276524
218 RY*(1)Cl11 s(0.00%)p1.00(31.83%)d2.14(68.17%) 0.004575393 - 0.666615503
219 RY*(2)Cl11 s(0.00%)p1.00(67.93%)d0.47(32.07%) 0.002395802 - 0.653428478
220 RY*(3)Cl11 s(8.31%)p7.94(65.98%)d3.10(25.71%) 0.000764897 - 0.691655193
221 RY*(4)Cl11 s(63.45%)p0.10(6.44%)d0.47(30.11%) 0.000252435 - 0.779681723
222 RY*(5)Cl11 s(0.00%)p1.00(81.28%)d0.23(18.72%) 0.000155049 - 0.926181437
223 RY*(6)Cl11 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000079907 - 0.539675047
224 RY*(7)Cl11 s(17.86%)p1.72(30.64%)d2.88(51.50%) 0.000027403 - 1.535751335
225 RY*(8)Cl11 s(0.00%)p1.00(99.99%)d0.00(0.01%) 0.000000016 - 23.484306624
226 RY*(9)Cl11 s(74.79%)p0.10(7.40%)d0.24(17.81%) 0.000008574 - 1.168866428
227 RY*(10)Cl11 s(92.40%)p0.04(3.63%)d0.04(3.97%) 0.000000214 - 16.448614150
228 RY*(11)Cl11 s(0.00%)p1.00(98.91%)d0.01(1.09%) 0.000001192 - 4.821351535
229 RY*(12)Cl11 s(0.00%)p1.00(99.91%)d0.00(0.09%) 0.000000177 - 23.106491132
230 RY*(13)Cl11 s(100.00%)p0.00(0.00%)d0.00(0.00%) 0.000000001 - 207.748694886
231 RY*(14)Cl11 s(0.00%)p1.00(67.84%)d0.47(32.16%) 0.000006538 - 0.639099801
232 RY*(15)Cl11 s(1.01%)p94.45(95.36%)d3.60(3.63%) 0.000004947 - 5.439890104
233 RY*(16)Cl11 s(0.17%)p99.99(98.00%)d10.75(1.83%) 0.000000836 - 22.871217120
234 RY*(17)Cl11 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000001498 - 0.855828640
235 RY*(18)Cl11 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 2.349116263
236 RY*(19)Cl11 s(0.00%)p1.00(99.99%)d0.00(0.01%) 0.000000821 - 3.912894214
237 RY*(20)Cl11 s(0.00%)p1.00(0.37%)d99.99(99.63%) 0.000000530 - 2.448161292
238 RY*(21)Cl11 s(0.00%)p1.00(47.57%)d1.10(52.43%) 0.000007960 - 0.854409865
239 RY*(22)Cl11 s(0.00%)p1.00(4.41%)d21.68(95.59%) 0.000003771 - 2.495784318
240 RY*(23)Cl11 s(27.60%)p0.18(5.02%)d2.44(67.38%) 0.000004350 - 0.874550717
241 RY*(24)Cl11 s(2.90%)p0.33(0.96%)d33.21(96.14%) 0.000001437 - 2.337410683
242 RY*(25)Cl11 s(11.14%)p7.15(79.62%)d0.83(9.24%) 0.000007780 - 2.094421840
243 RY*(26)Cl11 s(0.26%)p28.65(7.42%)d99.99(92.32%) 0.000001511 - 2.682635129
244 RY*(1)H12 s(99.09%)p0.01(0.91%) 0.000860235 - 1.086511870
245 RY*(2)H12 s(91.03%)p0.10(8.97%) 0.000216875 - 2.122644625
246 RY*(3)H12 s(0.00%)p1.00(100.00%) 0.000226485 - 1.900281175
247 RY*(4)H12 s(0.49%)p99.99(99.51%) 0.000056774 - 2.564730126
248 RY*(5)H12 s(9.43%)p9.60(90.57%) 0.000032057 - 2.618276523

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-C2 1127, 1128 1.979284245 - -0.744489405
2 BD(1)C1-C6 1129, 1130 1.966660801 - -0.723267925
3 BD(2)C1-C6 1131, 1132 1.680211229 - -0.277456654
4 BD(1)C1-H12 1133, 1134 1.977782047 - -0.540705271
5 BD(1)C2-C3 1135, 1136 1.979284245 - -0.744489405
6 BD(2)C2-C3 1137, 1138 1.681871793 - -0.287696006
7 BD(1)C2-Cl11 1139, 1140 1.988050360 - -0.723027097
8 BD(1)C3-C4 1141, 1142 1.966660801 - -0.723267925
9 BD(1)C3-H10 1143, 1144 1.977782047 - -0.540705271
10 BD(1)C4-C5 1145, 1146 1.980242088 - -0.739234403
11 BD(2)C4-C5 1147, 1148 1.655549743 - -0.287063409
12 BD(1)C4-H9 1149, 1150 1.976360876 - -0.544179116
13 BD(1)C5-C6 1151, 1152 1.980242088 - -0.739234403
14 BD(1)C5-F8 1153, 1154 1.995412244 - -1.028297906
15 BD(1)C6-H7 1155, 1156 1.976360875 - -0.544179116
16 CR(1)C1 1157 1.998970919 - -10.054652560
17 CR(1)C2 1158 1.998540973 - -10.118524737
18 CR(1)C3 1159 1.998970919 - -10.054652560
19 CR(1)C4 1160 1.999022384 - -10.055604600
20 CR(1)C5 1161 1.998475858 - -10.149015646
21 CR(1)C6 1162 1.999022384 - -10.055604600
22 CR(1)F8 1163 1.999923752 - -24.442738286
23 CR(1)Cl11 1164 1.999999909 - -100.261357638
24 CR(2)Cl11 1165 1.999698937 - -10.456225438
25 CR(3)Cl11 1166 1.999993615 - -7.226056696
26 CR(4)Cl11 1167 1.999992399 - -7.225807570
27 CR(5)Cl11 1168 1.999913448 - -7.233691968
28 LP(1)F8 1169 1.989597546 - -1.047429353
29 LP(2)F8 1170 1.972372056 - -0.430284199
30 LP(3)F8 1171 1.928085627 - -0.429841037
31 LP(1)Cl11 1172 1.992036363 - -0.938760097
32 LP(2)Cl11 1173 1.971258251 - -0.328602237
33 LP(3)Cl11 1174 1.931499705 - -0.327404485
34 RY*(1)C1 1175 0.005654703 - 1.168222641
35 RY*(2)C1 1176 0.002791102 - 1.013404673
36 RY*(3)C1 1177 0.000926921 - 1.087133177
37 RY*(4)C1 1178 0.000867385 - 0.946316292
38 RY*(5)C1 1179 0.000696992 - 1.885271621
39 RY*(6)C1 1180 0.000388018 - 1.851295611
40 RY*(7)C1 1181 0.000289304 - 2.512761955
41 RY*(8)C1 1182 0.000242976 - 1.239008397
42 RY*(9)C1 1183 0.000164696 - 1.303904438
43 RY*(10)C1 1184 0.000089994 - 2.262427002
44 RY*(11)C1 1185 0.000069164 - 2.447986849
45 RY*(12)C1 1186 0.000043847 - 1.787351997
46 RY*(13)C1 1187 0.000023232 - 1.499118122
47 RY*(14)C1 1188 0.000002574 - 2.627520255
48 RY*(15)C1 1189 0.000006216 - 2.848427895
49 RY*(16)C1 1190 0.000010596 - 2.003829462
50 RY*(17)C1 1191 0.000000000 - 2.809400975
51 RY*(18)C1 1192 0.000000382 - 20.413053421
52 RY*(19)C1 1193 0.000005379 - 3.015238327
53 RY*(20)C1 1194 0.000003982 - 3.332317218
54 RY*(21)C1 1195 0.000004333 - 0.730398224
55 RY*(22)C1 1196 0.000005106 - 2.949275973
56 RY*(1)C2 1197 0.006893117 - 0.997265890
57 RY*(2)C2 1198 0.006451882 - 0.791237194
58 RY*(3)C2 1199 0.003000598 - 0.848341153
59 RY*(4)C2 1200 0.000836563 - 0.926144785
60 RY*(5)C2 1201 0.000816709 - 1.942212518
61 RY*(6)C2 1202 0.000571350 - 2.222792550
62 RY*(7)C2 1203 0.000452170 - 1.846269711
63 RY*(8)C2 1204 0.000457594 - 2.630504023
64 RY*(9)C2 1205 0.000143508 - 1.338275393
65 RY*(10)C2 1206 0.000113377 - 3.198308367
66 RY*(11)C2 1207 0.000048155 - 5.092202975
67 RY*(12)C2 1208 0.000044027 - 2.088053304
68 RY*(13)C2 1209 0.000032279 - 3.050522447
69 RY*(14)C2 1210 0.000011557 - 2.973610643
70 RY*(15)C2 1211 0.000002733 - 19.116958747
71 RY*(16)C2 1212 0.000002067 - 1.741070215
72 RY*(17)C2 1213 0.000008144 - 0.725241046
73 RY*(18)C2 1214 0.000008007 - 2.740167856
74 RY*(19)C2 1215 0.000005794 - 0.465109906
75 RY*(20)C2 1216 0.000007314 - 2.683212772
76 RY*(21)C2 1217 -0.000000000 - 1.789453196
77 RY*(22)C2 1218 0.000001141 - 2.710665668
78 RY*(1)C3 1219 0.005654703 - 1.168222642
79 RY*(2)C3 1220 0.002791102 - 1.013404673
80 RY*(3)C3 1221 0.001009673 - 0.992912830
81 RY*(4)C3 1222 0.000926921 - 1.087133181
82 RY*(5)C3 1223 0.000696992 - 1.885271647
83 RY*(6)C3 1224 0.000368202 - 1.571474522
84 RY*(7)C3 1225 0.000289303 - 2.512761976
85 RY*(8)C3 1226 0.000229405 - 1.475600024
86 RY*(9)C3 1227 0.000164696 - 1.303904342
87 RY*(10)C3 1228 0.000089994 - 2.262427204
88 RY*(11)C3 1229 0.000069164 - 2.447986396
89 RY*(12)C3 1230 0.000043847 - 1.787352917
90 RY*(13)C3 1231 0.000023232 - 1.499121033
91 RY*(14)C3 1232 0.000002595 - 2.624738624
92 RY*(15)C3 1233 0.000006215 - 2.848700936
93 RY*(16)C3 1234 0.000010673 - 2.000905913
94 RY*(17)C3 1235 0.000000000 - 2.809229429
95 RY*(18)C3 1236 0.000000382 - 20.412982310
96 RY*(19)C3 1237 0.000005379 - 3.015314920
97 RY*(20)C3 1238 0.000003978 - 3.332732125
98 RY*(21)C3 1239 0.000004324 - 0.731451136
99 RY*(22)C3 1240 0.000005112 - 2.948579005
100 RY*(1)C4 1241 0.005403507 - 1.308975404
101 RY*(2)C4 1242 0.002682956 - 1.081115698
102 RY*(3)C4 1243 0.000809536 - 1.837106412
103 RY*(4)C4 1244 0.000696500 - 0.660735068
104 RY*(5)C4 1245 0.000428225 - 2.188481469
105 RY*(6)C4 1246 0.000313812 - 1.690018863
106 RY*(7)C4 1247 0.000289489 - 1.999586094
107 RY*(8)C4 1248 0.000155016 - 0.945884474
108 RY*(9)C4 1249 0.000117972 - 2.010067325
109 RY*(10)C4 1250 0.000079151 - 2.947625191
110 RY*(11)C4 1251 0.000041579 - 2.966685763
111 RY*(12)C4 1252 0.000034675 - 2.823814258
112 RY*(13)C4 1253 0.000007379 - 2.094687984
113 RY*(14)C4 1254 0.000000740 - 2.913846126
114 RY*(15)C4 1255 0.000004922 - 1.244750567
115 RY*(16)C4 1256 0.000000405 - 2.360188712
116 RY*(17)C4 1257 0.000000013 - 0.381581942
117 RY*(18)C4 1258 0.000009312 - 2.808707499
118 RY*(19)C4 1259 0.000000042 - 2.794423611
119 RY*(20)C4 1260 0.000001201 - 20.132405237
120 RY*(21)C4 1261 0.000003095 - 1.751063224
121 RY*(22)C4 1262 0.000002160 - 3.155917429
122 RY*(1)C5 1263 0.008046164 - 1.086707989
123 RY*(2)C5 1264 0.004047905 - 1.738847895
124 RY*(3)C5 1265 0.001785286 - 1.431321889
125 RY*(4)C5 1266 0.001588963 - 1.906252349
126 RY*(5)C5 1267 0.001548038 - 2.149797359
127 RY*(6)C5 1268 0.000666278 - 1.992423450
128 RY*(7)C5 1269 0.000487801 - 2.736497971
129 RY*(8)C5 1270 0.000349401 - 2.397209170
130 RY*(9)C5 1271 0.000214936 - 1.538400789
131 RY*(10)C5 1272 0.000177021 - 1.115082978
132 RY*(11)C5 1273 0.000135401 - 4.408955515
133 RY*(12)C5 1274 0.000034508 - 5.487046400
134 RY*(13)C5 1275 0.000010741 - 1.472171480
135 RY*(14)C5 1276 0.000013215 - 2.698820618
136 RY*(15)C5 1277 0.000000224 - 0.664324496
137 RY*(16)C5 1278 0.000000184 - 1.988918488
138 RY*(17)C5 1279 0.000001113 - 13.607592450
139 RY*(18)C5 1280 0.000009038 - 2.772655928
140 RY*(19)C5 1281 0.000003728 - 3.524894361
141 RY*(20)C5 1282 0.000000585 - 2.713223683
142 RY*(21)C5 1283 0.000007643 - 1.662656500
143 RY*(22)C5 1284 0.000000000 - 1.673014648
144 RY*(1)C6 1285 0.005403507 - 1.308975404
145 RY*(2)C6 1286 0.002682956 - 1.081115699
146 RY*(3)C6 1287 0.000809536 - 1.837106428
147 RY*(4)C6 1288 0.000665042 - 0.522493303
148 RY*(5)C6 1289 0.000456303 - 2.288790335
149 RY*(6)C6 1290 0.000313812 - 1.690019862
150 RY*(7)C6 1291 0.000289489 - 1.999585224
151 RY*(8)C6 1292 0.000149895 - 0.981952284
152 RY*(9)C6 1293 0.000117972 - 2.010067847
153 RY*(10)C6 1294 0.000079151 - 2.947625155
154 RY*(11)C6 1295 0.000041579 - 2.966685862
155 RY*(12)C6 1296 0.000034675 - 2.823813607
156 RY*(13)C6 1297 0.000007379 - 2.094687587
157 RY*(14)C6 1298 0.000000754 - 2.916407086
158 RY*(15)C6 1299 0.000004922 - 1.244751348
159 RY*(16)C6 1300 0.000000393 - 2.379367832
160 RY*(17)C6 1301 0.000000003 - 0.362351126
161 RY*(18)C6 1302 0.000009312 - 2.808707221
162 RY*(19)C6 1303 0.000000046 - 2.793795877
163 RY*(20)C6 1304 0.000001201 - 20.132405497
164 RY*(21)C6 1305 0.000003095 - 1.751063122
165 RY*(22)C6 1306 0.000002160 - 3.155917085
166 RY*(1)H7 1307 0.000751611 - 1.097028635
167 RY*(2)H7 1308 0.000211441 - 1.914907167
168 RY*(3)H7 1309 0.000173420 - 2.060750981
169 RY*(4)H7 1310 0.000052228 - 2.612462033
170 RY*(5)H7 1311 0.000046320 - 2.569067700
171 RY*(1)F8 1312 0.002514050 - 0.611336170
172 RY*(2)F8 1313 0.001118696 - 0.856361181
173 RY*(3)F8 1314 0.000564657 - 1.214191927
174 RY*(4)F8 1315 0.000364654 - 0.985770734
175 RY*(5)F8 1316 0.000065105 - 3.243995336
176 RY*(6)F8 1317 0.000040124 - 3.975902694
177 RY*(7)F8 1318 0.000019611 - 1.109716513
178 RY*(8)F8 1319 0.000008608 - 1.627814523
179 RY*(9)F8 1320 0.000011533 - 2.356433397
180 RY*(10)F8 1321 0.000010264 - 2.808530659
181 RY*(11)F8 1322 0.000000004 - 6.227628311
182 RY*(12)F8 1323 0.000003945 - 1.717788655
183 RY*(13)F8 1324 0.000000064 - 6.374622953
184 RY*(14)F8 1325 0.000000000 - 8.832141151
185 RY*(15)F8 1326 0.000000493 - 2.287061476
186 RY*(16)F8 1327 0.000000009 - 9.133133120
187 RY*(17)F8 1328 0.000000021 - 66.626398014
188 RY*(18)F8 1329 0.000000452 - 8.859112856
189 RY*(19)F8 1330 0.000002660 - 3.689146067
190 RY*(20)F8 1331 0.000000906 - 9.002554223
191 RY*(21)F8 1332 0.000008712 - 2.450436624
192 RY*(22)F8 1333 0.000000274 - 9.546684959
193 RY*(1)H9 1334 0.000751611 - 1.097028634
194 RY*(2)H9 1335 0.000211441 - 1.914907167
195 RY*(3)H9 1336 0.000173420 - 2.060750981
196 RY*(4)H9 1337 0.000052228 - 2.612462033
197 RY*(5)H9 1338 0.000046320 - 2.569067700
198 RY*(1)H10 1339 0.000860235 - 1.086511869
199 RY*(2)H10 1340 0.000216875 - 2.122644625
200 RY*(3)H10 1341 0.000226485 - 1.900281175
201 RY*(4)H10 1342 0.000056774 - 2.564730126
202 RY*(5)H10 1343 0.000032057 - 2.618276524
203 RY*(1)Cl11 1344 0.004575393 - 0.666615503
204 RY*(2)Cl11 1345 0.002395802 - 0.653428478
205 RY*(3)Cl11 1346 0.000764897 - 0.691655193
206 RY*(4)Cl11 1347 0.000252435 - 0.779681723
207 RY*(5)Cl11 1348 0.000155049 - 0.926181437
208 RY*(6)Cl11 1349 0.000079907 - 0.539675047
209 RY*(7)Cl11 1350 0.000027403 - 1.535751335
210 RY*(8)Cl11 1351 0.000000016 - 23.484306624
211 RY*(9)Cl11 1352 0.000008574 - 1.168866428
212 RY*(10)Cl11 1353 0.000000214 - 16.448614150
213 RY*(11)Cl11 1354 0.000001192 - 4.821351535
214 RY*(12)Cl11 1355 0.000000177 - 23.106491132
215 RY*(13)Cl11 1356 0.000000001 - 207.748694886
216 RY*(14)Cl11 1357 0.000006538 - 0.639099801
217 RY*(15)Cl11 1358 0.000004947 - 5.439890104
218 RY*(16)Cl11 1359 0.000000836 - 22.871217120
219 RY*(17)Cl11 1360 0.000001498 - 0.855828640
220 RY*(18)Cl11 1361 0.000000000 - 2.349116263
221 RY*(19)Cl11 1362 0.000000821 - 3.912894214
222 RY*(20)Cl11 1363 0.000000530 - 2.448161292
223 RY*(21)Cl11 1364 0.000007960 - 0.854409865
224 RY*(22)Cl11 1365 0.000003771 - 2.495784318
225 RY*(23)Cl11 1366 0.000004350 - 0.874550717
226 RY*(24)Cl11 1367 0.000001437 - 2.337410683
227 RY*(25)Cl11 1368 0.000007780 - 2.094421840
228 RY*(26)Cl11 1369 0.000001511 - 2.682635129
229 RY*(1)H12 1370 0.000860235 - 1.086511870
230 RY*(2)H12 1371 0.000216875 - 2.122644625
231 RY*(3)H12 1372 0.000226485 - 1.900281175
232 RY*(4)H12 1373 0.000056774 - 2.564730126
233 RY*(5)H12 1374 0.000032057 - 2.618276523
234 BD*(1)C1-C2 0.027530183 - 0.541566738
235 BD*(1)C1-C6 0.014906590 - 0.544943739
236 BD*(2)C1-C6 0.338879074 - 0.004155688
237 BD*(1)C1-H12 0.013321192 - 0.410945978
238 BD*(1)C2-C3 0.027530183 - 0.541566738
239 BD*(2)C2-C3 0.394501441 - -0.004375983
240 BD*(1)C2-Cl11 0.031668635 - 0.132388961
241 BD*(1)C3-C4 0.014906590 - 0.544943739
242 BD*(1)C3-H10 0.013321192 - 0.410945978
243 BD*(1)C4-C5 0.026606260 - 0.542372245
244 BD*(2)C4-C5 0.371060416 - 0.000938209
245 BD*(1)C4-H9 0.011963061 - 0.407591267
246 BD*(1)C5-C6 0.026606260 - 0.542372245
247 BD*(1)C5-F8 0.031938625 - 0.248931241
248 BD*(1)C6-H7 0.011963061 - 0.407591267

Quote

COLLEGE PROFESSOR: SOMEONE WHO TALKS IN OTHER PEOPLE'S SLEEP.