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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-1.51500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00053
2
0.00000
0.00000
-0.00017
3
-0.00081
0.00000
0.00134
4
0.00081
0.00000
0.00134
5
0.00152
0.00000
-0.03916
6
-0.00152
0.00000
-0.03916
7
0.01856
0.00000
0.01255
8
-0.01856
0.00000
0.01255
9
0.03520
0.00000
-0.01844
10
-0.03520
0.00000
-0.01844
11
-0.00008
0.00000
0.00006
12
0.00008
0.00000
0.00006
13
-0.02836
0.00000
0.44045
14
0.02836
0.00000
0.44045
15
-0.20599
0.00000
-0.12743
16
0.20599
0.00000
-0.12743
17
-0.39510
0.00000
0.20842
18
0.39510
0.00000
0.20842
19
-0.00008
0.00066
-0.00193
20
-0.00008
-0.00066
-0.00193
21
0.00008
0.00066
-0.00193
22
0.00008
-0.00066
-0.00193