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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.56600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00660
2
0.00000
0.00000
0.00028
3
0.00000
0.00000
0.01172
4
0.00000
0.00000
0.01196
5
0.00000
0.00000
0.04608
6
0.00000
0.00000
0.00669
7
0.00000
0.00000
-0.01618
8
0.00000
0.00000
0.00981
9
0.00000
0.00000
0.01896
10
0.00000
0.00000
-0.05071
11
0.00000
0.00000
-0.01620
12
0.00000
0.00000
-0.03943
13
0.00000
0.00000
-0.12113
14
0.00000
0.00000
0.03070
15
0.00000
0.00000
0.04864
16
0.00000
0.00000
-0.00580
17
0.00000
0.00000
0.04614
18
0.00000
0.00000
-0.02126
19
0.00000
0.00000
-0.03308
20
0.00000
0.00000
0.00502
21
0.00000
0.00000
0.07198
22
0.00000
0.00000
-0.05590
23
0.00000
0.00000
-0.10318
24
0.00000
0.00000
0.28074
25
0.00000
0.00000
0.20356
26
0.00000
0.00000
0.58357
27
0.00000
0.00000
-0.18711
28
0.00000
0.00000
0.06204
29
0.00000
0.00000
0.24343
30
0.00000
0.00000
0.09092
31
0.00000
0.00000
-0.22549
32
0.00000
0.00000
-0.07884