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)
-0.47600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.13261
0.00000
0.00000
2
-0.03507
0.00000
0.00000
3
0.10851
0.00000
-0.00779
4
0.10851
0.00000
0.00779
5
0.04396
0.00000
0.00433
6
0.04396
0.00000
-0.00433
7
-0.03617
0.00000
0.07422
8
-0.03617
0.00000
-0.07422
9
-0.02691
0.00000
-0.06775
10
-0.02691
0.00000
0.06775
11
-0.03165
0.00000
-0.02546
12
-0.03165
0.00000
0.02546
13
0.01069
0.00000
-0.00060
14
0.01069
0.00000
0.00060
15
0.04865
0.00000
-0.06314
16
0.04865
0.00000
0.06314
17
0.05072
0.00000
0.08381
18
0.05072
0.00000
-0.08381
19
0.10038
0.01108
0.09848
20
0.10038
-0.01108
0.09848
21
0.10038
-0.01108
-0.09848
22
0.10038
0.01108
-0.09848