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)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
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)
0.81300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.02948
2
0.00000
0.00000
0.00447
3
-0.03529
0.00000
0.07561
4
0.03529
0.00000
0.07561
5
0.01708
0.00000
0.01593
6
-0.01708
0.00000
0.01593
7
-0.00563
0.00000
0.03468
8
0.00563
0.00000
0.03468
9
0.01520
0.00000
-0.03462
10
-0.01520
0.00000
-0.03462
11
0.10825
0.00000
-0.02544
12
-0.10825
0.00000
-0.02544
13
-0.01620
0.00000
0.01141
14
0.01620
0.00000
0.01141
15
0.16972
0.00000
-0.25171
16
-0.16972
0.00000
-0.25171
17
-0.03701
0.00000
-0.13913
18
0.03701
0.00000
-0.13913
19
-0.20465
0.00000
-0.25944
20
0.20465
0.00000
-0.25944