Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-460.74533
Description
T0
Multiplicity
3
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05095 b
(cm-1)
0.03935 c
(cm-1)
0.02220
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.10117
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)
-0.12000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05894
2
0.00000
0.00000
0.00257
3
-0.10201
0.00000
0.01132
4
0.10201
0.00000
0.01132
5
-0.04179
0.00000
0.02686
6
0.04179
0.00000
0.02686
7
0.00836
0.00000
-0.01460
8
-0.00836
0.00000
-0.01460
9
0.04807
0.00000
-0.03884
10
-0.04807
0.00000
-0.03884
11
-0.07507
0.00000
0.02124
12
0.07507
0.00000
0.02124
13
0.11600
0.00000
0.01722
14
-0.11600
0.00000
0.01722
15
0.17127
0.00000
0.23912
16
-0.17127
0.00000
0.23912
17
-0.06415
0.00000
0.17771
18
0.06415
0.00000
0.17771
19
0.18578
0.00000
-0.16965
20
-0.18578
0.00000
-0.16965