Charge: 2
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+2
Electronic States
Energy
(eV)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.36600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.10593
0.00000
2
0.00000
0.02505
0.00000
3
0.00000
0.00245
0.00000
4
0.00000
0.00246
0.00000
5
0.00000
0.05103
0.00000
6
0.00000
0.05104
0.00000
7
0.00000
0.09126
0.00000
8
0.00000
0.09126
0.00000
9
0.00000
-0.11082
0.00000
10
0.00000
-0.11082
0.00000
11
0.00000
-0.00921
0.00000
12
0.00000
-0.00922
0.00000
13
0.00000
0.20161
0.00000
14
0.00000
0.20162
0.00000
15
0.00000
0.23247
0.00000
16
0.00000
0.23247
0.00000
17
0.00000
-0.22980
0.00000
18
0.00000
-0.22981
0.00000
19
-0.01262
-0.00850
-0.00802
20
0.01262
-0.00850
0.00802
21
0.01262
-0.00849
-0.00801
22
-0.01262
-0.00849
0.00801