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)
1.01600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.09487
0.00000
0.00000
2
-0.12068
0.00000
0.00000
3
-0.00984
0.00000
0.06745
4
-0.00984
0.00000
-0.06745
5
0.08999
0.00000
-0.00213
6
0.08999
0.00000
0.00213
7
-0.04007
0.00000
-0.06817
8
-0.04007
0.00000
0.06817
9
-0.01104
0.00000
0.02186
10
-0.01104
0.00000
-0.02186
11
-0.00132
0.00000
0.02161
12
-0.00132
0.00000
-0.02161
13
-0.23180
0.00000
0.03030
14
-0.23180
0.00000
-0.03030
15
0.11859
0.00000
0.18435
16
0.11859
0.00000
-0.18435
17
-0.05146
0.00000
0.10114
18
-0.05146
0.00000
-0.10114
19
-0.01182
0.00000
0.03368
20
-0.01182
0.00000
-0.03368