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)
-0.39800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05910
2
0.00000
0.00000
0.04535
3
-0.07614
0.00000
-0.03997
4
0.07614
0.00000
-0.03997
5
0.06366
0.00000
0.00540
6
-0.06366
0.00000
0.00540
7
0.06714
0.00000
0.08516
8
-0.06714
0.00000
0.08516
9
-0.02955
0.00000
-0.05387
10
0.02955
0.00000
-0.05387
11
0.00049
0.00000
0.02046
12
-0.00049
0.00000
0.02046
13
-0.29117
0.00000
0.03591
14
0.29117
0.00000
0.03591
15
-0.09629
0.00000
-0.18473
16
0.09629
0.00000
-0.18473
17
-0.07755
0.00000
0.01567
18
0.07755
0.00000
0.01567
19
0.02505
0.00000
0.01054
20
-0.02505
0.00000
0.01054