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)
-460.74533
Description
T0
Multiplicity
3
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05095 b
(cm-1)
0.03935 c
(cm-1)
0.02220
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.10117
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.42400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00052
0.00000
0.00000
2
-0.00333
0.00000
0.00000
3
-0.00009
0.00000
0.00002
4
-0.00009
0.00000
-0.00002
5
0.00579
0.00000
0.05494
6
0.00579
0.00000
-0.05494
7
0.00241
0.00000
-0.00063
8
0.00241
0.00000
0.00063
9
-0.01856
0.00000
-0.01199
10
-0.01856
0.00000
0.01199
11
0.00039
0.00000
0.00045
12
0.00039
0.00000
-0.00045
13
-0.05526
0.00000
-0.62099
14
-0.05526
0.00000
0.62099
15
-0.02198
0.00000
0.01364
16
-0.02198
0.00000
-0.01364
17
0.22401
0.00000
0.11931
18
0.22401
0.00000
-0.11931
19
-0.00394
0.00000
-0.00622
20
-0.00394
0.00000
0.00622