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)
-462.71585
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04692 b
(cm-1)
0.03973 c
(cm-1)
0.02169
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.33048
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)
-0.62300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00030
2
0.00000
0.00000
0.00051
3
-0.00126
0.00000
0.00122
4
0.00126
0.00000
0.00122
5
-0.00008
0.00000
-0.03113
6
0.00008
0.00000
-0.03113
7
0.02531
0.00000
0.01599
8
-0.02531
0.00000
0.01599
9
0.03811
0.00000
-0.01879
10
-0.03811
0.00000
-0.01879
11
-0.00027
0.00000
0.00021
12
0.00027
0.00000
0.00021
13
-0.01995
0.00000
0.34210
14
0.01995
0.00000
0.34211
15
-0.28600
0.00000
-0.17105
16
0.28601
0.00000
-0.17105
17
-0.42080
0.00000
0.21625
18
0.42082
0.00000
0.21626
19
0.00103
0.00309
-0.00256
20
0.00103
-0.00309
-0.00256
21
-0.00103
0.00309
-0.00256
22
-0.00103
-0.00309
-0.00256