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)
0.20500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00048
2
0.00000
0.00000
0.00038
3
-0.00093
0.00000
0.00063
4
0.00093
0.00000
0.00063
5
0.00018
0.00000
-0.02376
6
-0.00018
0.00000
-0.02376
7
0.02030
0.00000
0.01351
8
-0.02030
0.00000
0.01351
9
0.04431
0.00000
-0.02290
10
-0.04431
0.00000
-0.02290
11
-0.00256
0.00000
0.00292
12
0.00256
0.00000
0.00292
13
-0.01684
0.00000
0.25754
14
0.01684
0.00000
0.25754
15
-0.22614
0.00000
-0.13657
16
0.22614
0.00000
-0.13657
17
-0.49711
0.00000
0.25976
18
0.49711
0.00000
0.25976
19
0.01977
0.00000
-0.03342
20
-0.01977
0.00000
-0.03342