Charge: 1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+1
Electronic States
Energy
(eV)
-460.74502
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05226 b
(cm-1)
0.03846 c
(cm-1)
0.02216
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.65729
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.45400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01588
0.00000
0.00000
2
0.04543
0.00000
0.00000
3
-0.01192
0.00000
-0.05208
4
-0.01192
0.00000
0.05208
5
0.02623
0.00000
0.07854
6
0.02623
0.00000
-0.07854
7
-0.09057
0.00000
-0.02854
8
-0.09057
0.00000
0.02854
9
-0.05986
0.00000
-0.02799
10
-0.05986
0.00000
0.02799
11
0.09913
0.00000
0.06041
12
0.09913
0.00000
-0.06041
13
0.05930
0.00000
0.07752
14
0.05930
0.00000
-0.07752
15
-0.07958
0.00000
-0.00647
16
-0.07958
0.00000
0.00647
17
-0.00809
0.00000
-0.12800
18
-0.00809
0.00000
0.12800
19
0.10385
0.00000
0.06115
20
0.10385
0.00000
-0.06115