Charge: 1
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+1
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)
-0.33200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.10908
2
0.00000
0.00000
0.05670
3
0.04631
0.00000
0.01708
4
-0.04631
0.00000
0.01708
5
-0.07031
0.00000
0.00946
6
0.07031
0.00000
0.00946
7
-0.03273
0.00000
0.07553
8
0.03273
0.00000
0.07553
9
0.01872
0.00000
-0.08241
10
-0.01872
0.00000
-0.08241
11
-0.00265
0.00000
0.00553
12
0.00265
0.00000
0.00553
13
0.32264
0.00000
0.04288
14
-0.32264
0.00000
0.04288
15
0.07278
0.00000
-0.08432
16
-0.07279
0.00000
-0.08433
17
0.13555
0.00000
0.10846
18
-0.13555
0.00000
0.10845
19
0.00087
-0.02261
-0.02757
20
0.00087
0.02261
-0.02757
21
-0.00087
-0.02261
-0.02757
22
-0.00087
0.02261
-0.02757