Charge: 2
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+2
Electronic States
Energy
(eV)
-462.67905
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04694 b
(cm-1)
0.03882 c
(cm-1)
0.02141
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.82674
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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00000
2
0.00000
0.00000
0.00000
3
0.00000
-0.01970
0.00000
4
0.00000
0.01970
0.00000
5
0.00000
0.04025
0.00000
6
0.00000
-0.04025
0.00000
7
0.00000
0.03101
0.00000
8
0.00000
-0.03101
0.00000
9
0.00000
0.05480
0.00000
10
0.00000
-0.05480
0.00000
11
0.00000
0.00729
0.00000
12
0.00000
-0.00729
0.00000
13
0.00000
-0.46717
0.00000
14
0.00000
0.46717
0.00000
15
0.00000
-0.27130
0.00000
16
0.00000
0.27130
0.00000
17
0.00000
-0.36232
0.00000
18
0.00000
0.36232
0.00000
19
-0.00229
-0.00604
-0.02401
20
0.00229
-0.00604
0.02401
21
-0.00229
0.00604
0.02401
22
0.00229
0.00604
-0.02401