Charge: 2
Inchi:1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H/q+2
Electronic States
Energy
(eV)
-460.72462
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.08750 b
(cm-1)
0.02328 c
(cm-1)
0.01839
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-1.07900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01131
-0.04020
0.00000
2
0.01131
-0.04020
0.00000
3
0.01131
0.04020
0.00000
4
0.01131
0.04020
0.00000
5
-0.03909
-0.03044
0.00000
6
-0.03909
-0.03044
0.00000
7
-0.03909
0.03043
0.00000
8
-0.03909
0.03043
0.00000
9
0.05565
0.07605
0.00000
10
0.05565
0.07605
0.00000
11
0.05565
-0.07605
0.00000
12
0.05565
-0.07605
0.00000
13
-0.04704
0.03652
0.00000
14
-0.04704
0.03652
0.00000
15
-0.04704
-0.03652
0.00000
16
-0.04704
-0.03652
0.00000
17
-0.28475
-0.08780
0.00000
18
-0.28475
-0.08780
0.00000
19
-0.28475
0.08780
0.00000
20
-0.28475
0.08780
0.00000