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)
-0.95500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.07048
2
0.00000
0.00000
0.03809
3
-0.01152
0.00000
0.00840
4
0.01152
0.00000
0.00840
5
-0.02662
0.00000
-0.02959
6
0.02662
0.00000
-0.02959
7
-0.00270
0.00000
-0.01074
8
0.00270
0.00000
-0.01074
9
0.01826
0.00000
0.02036
10
-0.01826
0.00000
0.02036
11
0.09752
0.00000
-0.01510
12
-0.09752
0.00000
-0.01510
13
-0.09942
0.00000
-0.03253
14
0.09942
0.00000
-0.03253
15
-0.06413
0.00000
-0.11372
16
0.06413
0.00000
-0.11372
17
-0.01210
0.00000
0.07922
18
0.01210
0.00000
0.07922
19
0.45546
0.00000
-0.26166
20
-0.45546
0.00000
-0.26166