Charge: 1
Inchi:1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H/q+1
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05913
2
0.00000
0.00000
0.05913
3
0.00000
0.00000
0.05913
4
0.00000
0.00000
-0.05913
5
0.00000
0.00000
0.04195
6
0.00000
0.00000
-0.04195
7
0.00000
0.00000
-0.04195
8
0.00000
0.00000
0.04195
9
0.00000
0.00000
0.03763
10
0.00000
0.00000
-0.03763
11
0.00000
0.00000
-0.03763
12
0.00000
0.00000
0.03763
13
0.00000
0.00000
-0.23113
14
0.00000
0.00000
0.23113
15
0.00000
0.00000
0.23113
16
0.00000
0.00000
-0.23113
17
0.00000
0.00000
-0.33940
18
0.00000
0.00000
0.33940
19
0.00000
0.00000
0.33940
20
0.00000
0.00000
-0.33940