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)
-0.03800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00078
0.00000
0.00000
2
-0.00427
0.00000
0.00000
3
-0.00009
0.00000
0.00010
4
-0.00009
0.00000
-0.00010
5
0.00534
0.00000
-0.05867
6
0.00534
0.00000
0.05861
7
0.00142
0.00000
0.00023
8
0.00142
0.00000
-0.00023
9
-0.00830
0.00000
0.00694
10
-0.00829
0.00000
-0.00693
11
-0.00010
0.00000
0.00019
12
-0.00010
0.00000
-0.00019
13
-0.04878
0.00000
0.65991
14
-0.04873
0.00000
-0.65931
15
-0.01088
0.00000
-0.00630
16
-0.01087
0.00000
0.00629
17
0.10898
0.00000
-0.06179
18
0.10888
0.00000
0.06173
19
0.00067
0.00108
-0.00071
20
0.00067
-0.00108
-0.00071
21
0.00067
-0.00108
0.00071
22
0.00067
0.00108
0.00071