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)
-0.34400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07105
0.00000
0.00000
2
-0.05683
0.00000
0.00000
3
0.08621
0.00000
0.05777
4
0.08621
0.00000
-0.05777
5
-0.08584
0.00000
0.02704
6
-0.08584
0.00000
-0.02704
7
0.06368
0.00000
0.05150
8
0.06368
0.00000
-0.05150
9
-0.06410
0.00000
0.04827
10
-0.06410
0.00000
-0.04827
11
0.00125
0.00000
-0.04792
12
0.00125
0.00000
0.04792
13
-0.04683
0.00000
0.03081
14
-0.04683
0.00000
-0.03081
15
0.10675
0.00000
-0.01873
16
0.10675
0.00000
0.01873
17
-0.09676
0.00000
-0.01173
18
-0.09676
0.00000
0.01172
19
-0.03104
-0.00112
-0.07722
20
-0.03104
0.00112
-0.07722
21
-0.03104
0.00112
0.07722
22
-0.03104
-0.00112
0.07722