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)
-461.42730
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.40800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01514
2
0.00000
0.00000
0.01514
3
0.00000
0.00000
0.01514
4
0.00000
0.00000
0.01514
5
0.00000
0.00000
-0.06823
6
0.00000
0.00000
-0.06823
7
0.00000
0.00000
-0.06823
8
0.00000
0.00000
-0.06823
9
0.00000
0.00000
0.04164
10
0.00000
0.00000
0.04164
11
0.00000
0.00000
0.04164
12
0.00000
0.00000
0.04164
13
0.00000
0.00000
0.35099
14
0.00000
0.00000
0.35099
15
0.00000
0.00000
0.35099
16
0.00000
0.00000
0.35099
17
0.00000
0.00000
-0.21462
18
0.00000
0.00000
-0.21462
19
0.00000
0.00000
-0.21462
20
0.00000
0.00000
-0.21462