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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.80300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.10687
2
0.00000
0.00000
-0.07032
3
0.06365
0.00000
-0.01332
4
-0.06365
0.00000
-0.01332
5
0.05505
0.00000
0.05003
6
-0.05505
0.00000
0.05003
7
-0.04087
0.00000
0.03658
8
0.04087
0.00000
0.03658
9
-0.02990
0.00000
-0.04912
10
0.02990
0.00000
-0.04912
11
-0.02797
0.00000
0.06801
12
0.02797
0.00000
0.06801
13
0.13329
0.00000
0.04820
14
-0.13329
0.00000
0.04820
15
0.03894
0.00000
0.18018
16
-0.03894
0.00000
0.18018
17
0.08637
0.00000
-0.27336
18
-0.08637
0.00000
-0.27336
19
0.08110
0.00000
0.00227
20
-0.08110
0.00000
0.00227