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)
-0.09700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.03302
2
0.00000
0.00000
0.04134
3
-0.10864
0.00000
-0.01649
4
0.10864
0.00000
-0.01649
5
-0.08968
0.00000
-0.02935
6
0.08968
0.00000
-0.02935
7
0.02722
0.00000
0.01866
8
-0.02722
0.00000
0.01866
9
0.05166
0.00000
0.00389
10
-0.05166
0.00000
0.00389
11
-0.03040
0.00000
-0.00799
12
0.03040
0.00000
-0.00799
13
0.27388
0.00000
-0.00834
14
-0.27388
0.00000
-0.00834
15
0.15986
0.00000
-0.19065
16
-0.15986
0.00000
-0.19065
17
0.06559
0.00000
0.01782
18
-0.06559
0.00000
0.01782
19
0.11015
-0.02185
0.05548
20
0.11015
0.02185
0.05548
21
-0.11015
-0.02185
0.05548
22
-0.11015
0.02185
0.05548