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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00476
-0.02110
0.00000
2
-0.00476
0.02110
0.00000
3
-0.00476
-0.02109
0.00000
4
0.00476
0.02109
0.00000
5
-0.04099
-0.03996
0.00000
6
0.04099
0.03996
0.00000
7
0.04099
-0.03995
0.00000
8
-0.04099
0.03995
0.00000
9
0.02996
0.04137
0.00000
10
-0.02996
-0.04137
0.00000
11
-0.02996
0.04137
0.00000
12
0.02996
-0.04137
0.00000
13
-0.05402
-0.28931
0.00000
14
0.05402
0.28931
0.00000
15
0.05403
-0.28932
0.00000
16
-0.05403
0.28932
0.00000
17
0.24756
0.15652
0.00000
18
-0.24756
-0.15652
0.00000
19
-0.24758
0.15653
0.00000
20
0.24758
-0.15653
0.00000