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)
-462.67905
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)
-0.09200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05693
0.00000
0.00000
2
0.08088
0.00000
0.00000
3
-0.06060
0.00000
-0.05167
4
-0.06060
0.00000
0.05167
5
0.07579
0.00000
-0.05956
6
0.07579
0.00000
0.05956
7
-0.05367
0.00000
-0.06109
8
-0.05367
0.00000
0.06109
9
0.06907
0.00000
-0.06058
10
0.06907
0.00000
0.06058
11
-0.04246
0.00000
0.04157
12
-0.04246
0.00000
-0.04157
13
0.02268
0.00000
-0.06196
14
0.02268
0.00000
0.06196
15
-0.08638
0.00000
-0.00514
16
-0.08638
0.00000
0.00514
17
0.10409
0.00000
0.00652
18
0.10409
0.00000
-0.00652
19
-0.02087
-0.00050
0.05862
20
-0.02087
0.00050
0.05862
21
-0.02087
0.00050
-0.05862
22
-0.02087
-0.00050
-0.05862