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)
-0.64000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00016
0.00000
0.00000
2
0.00014
0.00000
0.00000
3
-0.00100
0.00000
0.00114
4
-0.00100
0.00000
-0.00114
5
0.00001
0.00000
0.00368
6
0.00001
0.00000
-0.00368
7
-0.01101
0.00000
-0.00746
8
-0.01101
0.00000
0.00746
9
-0.00672
0.00000
0.00290
10
-0.00672
0.00000
-0.00290
11
-0.03121
0.00000
0.04439
12
-0.03121
0.00000
-0.04439
13
0.00265
0.00000
-0.04005
14
0.00265
0.00000
0.04005
15
0.13989
0.00000
0.08306
16
0.13989
0.00000
-0.08306
17
0.07610
0.00000
-0.03906
18
0.07610
0.00000
0.03906
19
0.37607
0.00000
-0.53038
20
0.37607
0.00000
0.53038