Charge: -1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q-1
Electronic States
Energy
(eV)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.23800
Diff mu Y
(Debye)
0.15000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00008
-0.00026
0.00000
2
0.00041
-0.00036
0.00000
3
0.00030
0.00016
0.00000
4
0.00060
0.00222
0.00000
5
0.00006
0.00024
0.00000
6
0.00053
-0.00053
0.00000
7
0.01671
0.01120
0.00000
8
-0.06817
0.02302
0.00000
9
-0.00540
0.00200
0.00000
10
0.00037
-0.00012
0.00000
11
0.00001
0.00033
0.00000
12
0.00143
-0.00017
0.00000
13
0.00355
-0.00113
0.00000
14
0.01871
0.01734
0.00000
15
0.00014
0.00014
0.00000
16
0.00217
-0.01541
0.00000
17
-0.00725
0.00187
0.00000
18
0.00266
0.00232
0.00000
19
-0.00133
0.00419
0.00000
20
0.00948
-0.00272
0.00000
21
-0.19380
-0.16660
0.00000
22
0.79142
-0.25984
0.00000
23
0.06175
-0.02070
0.00000
24
-0.00488
-0.00266
0.00000
25
-0.01187
0.00081
0.00000
26
-0.04140
0.01261
0.00000
27
-0.22049
-0.19961
0.00000
28
-0.03563
0.17898
0.00000
29
0.01263
-0.05098
0.00000
30
-0.03080
-0.02930
0.00000
31
0.08247
-0.02163
0.00000
32
-0.11066
0.03125
0.00000