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)
-1.49300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00040
2
0.00000
0.00000
-0.00080
3
0.00085
0.00000
0.00049
4
-0.00085
0.00000
0.00049
5
0.00121
0.00000
0.02948
6
-0.00121
0.00000
0.02948
7
-0.01597
0.00000
0.00833
8
0.01597
0.00000
0.00833
9
0.04053
0.00000
0.02059
10
-0.04053
0.00000
0.02059
11
-0.00965
0.00000
-0.01250
12
0.00965
0.00000
-0.01250
13
-0.02409
0.00000
-0.33344
14
0.02409
0.00000
-0.33344
15
0.18443
0.00000
-0.11214
16
-0.18443
0.00000
-0.11214
17
-0.45737
0.00000
-0.24285
18
0.45737
0.00000
-0.24285
19
0.09289
0.00000
0.13840
20
-0.09289
0.00000
0.13840