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)
-0.84200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.07474
2
0.00000
0.00000
-0.03005
3
-0.00659
0.00000
-0.01469
4
0.00659
0.00000
-0.01469
5
-0.03486
0.00000
0.00901
6
0.03486
0.00000
0.00901
7
0.01034
0.00000
-0.01817
8
-0.01034
0.00000
-0.01817
9
0.02999
0.00000
0.04152
10
-0.02999
0.00000
0.04152
11
0.00189
0.00000
0.02313
12
-0.00189
0.00000
0.02313
13
-0.38181
0.00000
-0.01457
14
0.38181
0.00000
-0.01457
15
0.13695
0.00000
-0.23115
16
-0.13695
0.00000
-0.23115
17
0.20202
0.00000
0.36973
18
-0.20202
0.00000
0.36973
19
-0.01522
0.00000
0.01412
20
0.01522
0.00000
0.01412