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)
-0.21000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00117
0.00000
0.00000
2
-0.00070
0.00000
0.00000
3
0.00119
0.00000
0.00113
4
0.00119
0.00000
-0.00113
5
0.00072
0.00000
-0.02291
6
0.00072
0.00000
0.02291
7
0.02434
0.00000
0.01557
8
0.02434
0.00000
-0.01557
9
-0.03552
0.00000
0.01962
10
-0.03552
0.00000
-0.01962
11
0.00070
0.00000
-0.00064
12
0.00070
0.00000
0.00064
13
-0.01794
0.00000
0.27742
14
-0.01794
0.00000
-0.27742
15
-0.30683
0.00000
-0.18644
16
-0.30683
0.00000
0.18644
17
0.44492
0.00000
-0.23631
18
0.44492
0.00000
0.23631
19
-0.00348
-0.00953
0.00614
20
-0.00348
0.00953
0.00614
21
-0.00348
0.00953
-0.00614
22
-0.00348
-0.00953
-0.00614