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)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.21000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.17577
0.00000
0.00000
2
-0.00989
0.00000
0.00000
3
-0.01958
0.00000
-0.01499
4
-0.01958
0.00000
0.01499
5
0.04137
0.00000
-0.03345
6
0.04137
0.00000
0.03345
7
0.07707
0.00000
-0.01053
8
0.07707
0.00000
0.01053
9
-0.04083
0.00000
0.01950
10
-0.04083
0.00000
-0.01950
11
0.01216
0.00000
-0.02655
12
0.01216
0.00000
0.02655
13
0.24881
0.00000
-0.01978
14
0.24881
0.00000
0.01978
15
0.18996
0.00000
-0.19627
16
0.18996
0.00000
0.19627
17
-0.06585
0.00000
-0.02317
18
-0.06585
0.00000
0.02317
19
-0.10341
0.00000
-0.10780
20
-0.10341
0.00000
0.10780