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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.43300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.07501
2
0.00000
0.00000
0.11963
3
0.00448
0.00000
-0.05782
4
-0.00448
0.00000
-0.05782
5
0.12067
0.00000
-0.00608
6
-0.12067
0.00000
-0.00608
7
-0.01174
0.00000
0.05011
8
0.01174
0.00000
0.05011
9
-0.05655
0.00000
-0.03166
10
0.05655
0.00000
-0.03166
11
-0.02869
0.00000
0.02956
12
0.02869
0.00000
0.02956
13
-0.17616
0.00000
-0.02397
14
0.17616
0.00000
-0.02397
15
0.05956
0.00000
-0.07744
16
-0.05956
0.00000
-0.07744
17
-0.07575
0.00000
-0.06663
18
0.07575
0.00000
-0.06663
19
0.04579
0.00000
0.09150
20
-0.04579
0.00000
0.09150