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)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 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)
0.06700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.02246
2
0.00000
0.00000
-0.01264
3
0.00000
0.00000
0.11591
4
0.00000
0.00000
-0.09839
5
0.00000
0.00000
-0.07955
6
0.00000
0.00000
0.12364
7
0.00000
0.00000
-0.06271
8
0.00000
0.00000
0.06906
9
0.00000
0.00000
0.06058
10
0.00000
0.00000
-0.05613
11
0.00000
0.00000
0.00559
12
0.00000
0.00000
-0.01239
13
0.00000
0.00000
-0.00467
14
0.00000
0.00000
-0.01311
15
0.00000
0.00000
-0.01731
16
0.00000
0.00000
0.01410
17
0.00000
0.00000
-0.03755
18
0.00000
0.00000
0.02280
19
0.00000
0.00000
-0.03107
20
0.00000
0.00000
0.01871
21
0.00000
0.00000
-0.19557
22
0.00000
0.00000
0.13156
23
0.00000
0.00000
0.09133
24
0.00000
0.00000
-0.20388
25
0.00000
0.00000
0.15851
26
0.00000
0.00000
0.17389
27
0.00000
0.00000
-0.18785
28
0.00000
0.00000
0.01817
29
0.00000
0.00000
-0.00582
30
0.00000
0.00000
0.12547
31
0.00000
0.00000
0.04119
32
0.00000
0.00000
0.06235