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)
-0.65300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.07711
2
0.00000
0.00000
0.04206
3
-0.04977
0.00000
0.05583
4
0.04977
0.00000
0.05583
5
-0.06581
0.00000
-0.01691
6
0.06581
0.00000
-0.01691
7
0.04782
0.00000
-0.04621
8
-0.04782
0.00000
-0.04621
9
0.02964
0.00000
0.01999
10
-0.02964
0.00000
0.01999
11
-0.03402
0.00000
-0.07519
12
0.03402
0.00000
-0.07519
13
-0.19622
0.00000
-0.00780
14
0.19622
0.00000
-0.00780
15
-0.04191
0.00000
-0.19955
16
0.04191
0.00000
-0.19955
17
-0.04664
0.00000
0.17642
18
0.04664
0.00000
0.17642
19
-0.24875
0.00000
0.06567
20
0.24875
0.00000
0.06567