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)
-461.41109
Description
D0
Multiplicity
2
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)
0.09219 b
(cm-1)
0.02232 c
(cm-1)
0.01797
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)
0.43400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01684
2
0.00000
0.00000
0.01684
3
0.00000
0.00000
0.01684
4
0.00000
0.00000
0.01684
5
0.00000
0.00000
-0.06930
6
0.00000
0.00000
-0.06930
7
0.00000
0.00000
-0.06930
8
0.00000
0.00000
-0.06930
9
0.00000
0.00000
0.03308
10
0.00000
0.00000
0.03308
11
0.00000
0.00000
0.03308
12
0.00000
0.00000
0.03308
13
0.00000
0.00000
0.38724
14
0.00000
0.00000
0.38724
15
0.00000
0.00000
0.38724
16
0.00000
0.00000
0.38724
17
0.00000
0.00000
-0.15657
18
0.00000
0.00000
-0.15657
19
0.00000
0.00000
-0.15657
20
0.00000
0.00000
-0.15657