Charge: 1
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+1
Electronic States
Energy
(eV)
-462.71585
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04692 b
(cm-1)
0.03973 c
(cm-1)
0.02169
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.33048
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.44100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.09415
0.00000
0.00000
2
0.10639
0.00000
0.00000
3
0.09847
0.00000
-0.02238
4
0.09847
0.00000
0.02238
5
-0.09341
0.00000
-0.01362
6
-0.09341
0.00000
0.01362
7
-0.06579
0.00000
0.03790
8
-0.06579
0.00000
-0.03790
9
0.05358
0.00000
0.02585
10
0.05358
0.00000
-0.02585
11
-0.01355
0.00000
-0.00534
12
-0.01355
0.00000
0.00534
13
0.12780
0.00000
-0.00169
14
0.12780
0.00000
0.00169
15
0.01111
0.00000
-0.10327
16
0.01111
0.00000
0.10327
17
0.00422
0.00000
-0.08083
18
0.00422
0.00000
0.08083
19
0.01519
0.00292
0.02217
20
0.01519
-0.00292
0.02217
21
0.01519
-0.00292
-0.02217
22
0.01519
0.00292
-0.02217