Charge: -1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q-1
Electronic States
Energy
(eV)
-461.49413
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05061 b
(cm-1)
0.03995 c
(cm-1)
0.02232
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.29247
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.81500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00027
0.00000
0.00000
2
-0.00094
0.00000
0.00000
3
0.00001
0.00000
0.00094
4
0.00001
0.00000
-0.00094
5
0.00169
0.00000
-0.02079
6
0.00169
0.00000
0.02079
7
0.02058
0.00000
0.01189
8
0.02058
0.00000
-0.01189
9
-0.04042
0.00000
0.02150
10
-0.04042
0.00000
-0.02150
11
-0.00054
0.00000
0.00151
12
-0.00054
0.00000
-0.00151
13
-0.01874
0.00000
0.25575
14
-0.01874
0.00000
-0.25575
15
-0.25500
0.00000
-0.15077
16
-0.25500
0.00000
0.15077
17
0.49022
0.00000
-0.25515
18
0.49022
0.00000
0.25515
19
0.01006
0.00000
-0.01340
20
0.01006
0.00000
0.01340