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)
-460.74533
Description
T0
Multiplicity
3
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05095 b
(cm-1)
0.03935 c
(cm-1)
0.02220
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.10117
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-2.99800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00051
0.00000
0.00000
2
-0.00125
0.00000
0.00000
3
-0.00142
0.00000
0.00025
4
-0.00142
0.00000
-0.00025
5
0.00067
0.00000
0.00979
6
0.00067
0.00000
-0.00979
7
0.03127
0.00000
-0.02116
8
0.03127
0.00000
0.02116
9
0.02466
0.00000
0.01458
10
0.02466
0.00000
-0.01458
11
0.02013
0.00000
0.02851
12
0.02013
0.00000
-0.02851
13
-0.01074
0.00000
-0.10783
14
-0.01074
0.00000
0.10783
15
-0.36275
0.00000
0.22516
16
-0.36275
0.00000
-0.22516
17
-0.28353
0.00000
-0.15284
18
-0.28353
0.00000
0.15284
19
-0.22916
0.00000
-0.32154
20
-0.22916
0.00000
0.32154