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)
-461.42730
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)
0.09388 b
(cm-1)
0.02232 c
(cm-1)
0.01803
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)
-0.84100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00102
-0.00005
0.00000
2
-0.00102
-0.00005
0.00000
3
-0.00102
0.00005
0.00000
4
-0.00102
0.00005
0.00000
5
0.00207
0.02813
0.00000
6
0.00207
0.02813
0.00000
7
0.00207
-0.02813
0.00000
8
0.00207
-0.02813
0.00000
9
-0.02546
-0.01627
0.00000
10
-0.02546
-0.01627
0.00000
11
-0.02546
0.01627
0.00000
12
-0.02546
0.01627
0.00000
13
-0.00977
-0.32912
0.00000
14
-0.00978
-0.32915
0.00000
15
-0.00977
0.32912
0.00000
16
-0.00977
0.32910
0.00000
17
0.30047
0.17027
0.00000
18
0.30049
0.17029
0.00000
19
0.30050
-0.17029
0.00000
20
0.30047
-0.17027
0.00000