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)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.26000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07341
0.00000
0.00000
2
-0.05178
0.00000
0.00000
3
-0.02196
0.00000
0.01150
4
-0.02196
0.00000
-0.01150
5
-0.03978
0.00000
-0.08509
6
-0.03978
0.00000
0.08509
7
0.05740
0.00000
0.08531
8
0.05740
0.00000
-0.08531
9
0.07092
0.00000
-0.03774
10
0.07092
0.00000
0.03774
11
0.01126
0.00000
-0.01951
12
0.01126
0.00000
0.01951
13
-0.19519
0.00000
-0.10466
14
-0.19519
0.00000
0.10466
15
-0.04295
0.00000
0.25925
16
-0.04295
0.00000
-0.25925
17
0.06594
0.00000
-0.05583
18
0.06594
0.00000
0.05583
19
-0.00936
0.00000
-0.03562
20
-0.00936
0.00000
0.03562