Charge: 0
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
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)
-0.34900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00025
0.00000
0.00000
2
0.00040
0.00000
0.00000
3
0.00061
0.00000
0.00451
4
0.00061
0.00000
-0.00451
5
0.00019
0.00000
-0.00064
6
0.00019
0.00000
0.00064
7
-0.00204
0.00000
0.00060
8
-0.00204
0.00000
-0.00060
9
-0.00347
0.00000
-0.00150
10
-0.00347
0.00000
0.00150
11
0.03034
0.00000
0.05338
12
0.03034
0.00000
-0.05338
13
0.00020
0.00000
0.00486
14
0.00020
0.00000
-0.00486
15
0.01856
0.00000
-0.01194
16
0.01856
0.00000
0.01194
17
0.03539
0.00000
0.01907
18
0.03539
0.00000
-0.01907
19
-0.36334
0.00000
-0.56268
20
-0.36334
0.00000
0.56268