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)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.45500
Diff mu Y
(Debye)
-0.74300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02689
-0.02861
0.00000
2
0.00039
-0.05387
0.00000
3
-0.02527
0.08968
0.00000
4
0.05912
0.06099
0.00000
5
0.01854
0.07635
0.00000
6
-0.05400
0.04800
0.00000
7
-0.02489
0.01890
0.00000
8
-0.00060
-0.01667
0.00000
9
0.01327
0.00492
0.00000
10
-0.00493
0.00210
0.00000
11
0.04970
-0.04732
0.00000
12
0.00552
0.02194
0.00000
13
0.00474
-0.00999
0.00000
14
-0.00111
0.00249
0.00000
15
0.02241
-0.04593
0.00000
16
-0.00222
-0.03881
0.00000
17
-0.01581
-0.01831
0.00000
18
-0.00680
0.02019
0.00000
19
0.00245
-0.00002
0.00000
20
-0.02388
0.01395
0.00000
21
0.11782
-0.15179
0.00000
22
-0.11225
-0.35173
0.00000
23
-0.05140
-0.18613
0.00000
24
0.21962
-0.25376
0.00000
25
-0.03580
-0.10999
0.00000
26
-0.04240
-0.17714
0.00000
27
0.07902
-0.09478
0.00000
28
-0.02060
-0.04775
0.00000
29
-0.02228
-0.00489
0.00000
30
-0.01306
0.02812
0.00000
31
-0.03344
-0.09072
0.00000
32
0.03688
0.25018
0.00000