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)
0.30900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04364
2
0.00000
0.00000
0.08351
3
0.07178
0.00000
-0.02217
4
-0.07178
0.00000
-0.02217
5
0.00598
0.00000
0.07219
6
-0.00598
0.00000
0.07219
7
0.11329
0.00000
-0.02978
8
-0.11329
0.00000
-0.02978
9
0.07965
0.00000
-0.03377
10
-0.07965
0.00000
-0.03377
11
-0.00756
0.00000
-0.04325
12
0.00756
0.00000
-0.04325
13
-0.06750
0.00000
0.06668
14
0.06750
0.00000
0.06668
15
0.11221
0.00000
-0.02739
16
-0.11221
0.00000
-0.02739
17
0.03917
0.00000
-0.11220
18
-0.03917
0.00000
-0.11220
19
0.03989
0.00000
-0.00803
20
-0.03989
0.00000
-0.00803