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)
-0.75500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07042
0.00000
0.00000
2
0.02673
0.00000
0.00000
3
-0.00655
0.00000
0.00954
4
-0.00654
0.00000
-0.00954
5
0.01075
0.00000
0.01676
6
0.01075
0.00000
-0.01676
7
-0.00695
0.00000
0.05243
8
-0.00695
0.00000
-0.05243
9
-0.01563
0.00000
-0.06345
10
-0.01563
0.00000
0.06345
11
0.00050
0.00000
0.00899
12
0.00049
0.00000
-0.00899
13
0.02353
0.00000
0.02082
14
0.02354
0.00000
-0.02082
15
-0.20019
0.00000
0.37306
16
-0.20021
0.00000
-0.37310
17
-0.19008
0.00000
-0.38823
18
-0.19010
0.00000
0.38826
19
0.00063
0.01551
0.04060
20
0.00063
-0.01551
0.04060
21
0.00065
-0.01551
-0.04062
22
0.00065
0.01551
-0.04062