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)
-0.41600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00025
0.00000
0.00000
2
0.00295
0.00000
0.00000
3
0.00084
0.00000
-0.00057
4
0.00084
0.00000
0.00057
5
-0.00422
0.00000
0.04559
6
-0.00422
0.00000
-0.04559
7
-0.01553
0.00000
-0.00844
8
-0.01553
0.00000
0.00844
9
0.02758
0.00000
-0.01552
10
0.02758
0.00000
0.01552
11
-0.00054
0.00000
0.00034
12
-0.00054
0.00000
-0.00034
13
0.04030
0.00000
-0.52237
14
0.04030
0.00000
0.52237
15
0.17299
0.00000
0.10279
16
0.17299
0.00000
-0.10279
17
-0.33195
0.00000
0.17388
18
-0.33195
0.00000
-0.17388
19
0.00282
0.00000
-0.00530
20
0.00282
0.00000
0.00530