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)
0.00000
Diff mu Z
(Debye)
-0.23300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.02032
2
0.00000
0.00000
-0.00516
3
0.05868
0.00000
-0.05942
4
-0.05868
0.00000
-0.05941
5
-0.01415
0.00000
0.00405
6
0.01415
0.00000
0.00404
7
-0.02528
0.00000
-0.00594
8
0.02528
0.00000
-0.00594
9
-0.00720
0.00000
0.01522
10
0.00720
0.00000
0.01522
11
-0.06846
0.00000
-0.00098
12
0.06846
0.00000
-0.00098
13
-0.00821
0.00000
0.00515
14
0.00822
0.00000
0.00515
15
-0.12971
0.00000
0.15373
16
0.12969
0.00000
0.15371
17
0.00124
0.00000
0.03535
18
-0.00125
0.00000
0.03537
19
0.28680
-0.01132
0.25894
20
0.28680
0.01132
0.25894
21
-0.28680
-0.01132
0.25894
22
-0.28680
0.01132
0.25894