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)
-0.69100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05722
0.05330
0.00000
2
0.05721
0.05330
0.00000
3
0.05721
-0.05330
0.00000
4
0.05721
-0.05330
0.00000
5
-0.07380
-0.01616
0.00000
6
-0.07380
-0.01616
0.00000
7
-0.07380
0.01616
0.00000
8
-0.07380
0.01616
0.00000
9
0.01921
-0.07734
0.00000
10
0.01921
-0.07734
0.00000
11
0.01921
0.07734
0.00000
12
0.01921
0.07734
0.00000
13
0.06873
-0.02332
0.00000
14
0.06873
-0.02332
0.00000
15
0.06874
0.02331
0.00000
16
0.06875
0.02331
0.00000
17
-0.09995
0.12821
0.00000
18
-0.09995
0.12821
0.00000
19
-0.09995
-0.12820
0.00000
20
-0.09995
-0.12820
0.00000