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)
0.00600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.27400
Eigenvectors
#
X
Y
Z
1
0.00001
0.00000
0.00026
2
0.00001
0.00000
0.00021
3
-0.00118
0.00000
0.00063
4
0.00119
0.00000
0.00064
5
-0.00078
0.00000
-0.00885
6
0.00079
0.00000
-0.00895
7
0.02679
0.00000
0.01952
8
-0.02709
0.00000
0.01975
9
0.04306
0.00000
-0.02562
10
-0.04355
0.00000
-0.02591
11
-0.00015
0.00000
0.00004
12
0.00015
0.00000
0.00004
13
-0.00517
0.00000
0.09294
14
0.00523
0.00000
0.09404
15
-0.30526
0.00000
-0.19055
16
0.30871
0.00000
-0.19270
17
-0.48710
0.00000
0.26677
18
0.49261
0.00000
0.26979
19
0.00026
0.00074
-0.00101
20
0.00026
-0.00074
-0.00101
21
-0.00026
0.00073
-0.00100
22
-0.00026
-0.00073
-0.00100