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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07256
0.09533
0.00000
2
0.07256
-0.09533
0.00000
3
0.07256
0.09533
0.00000
4
-0.07256
-0.09533
0.00000
5
-0.02432
0.00449
0.00000
6
0.02432
-0.00449
0.00000
7
0.02432
0.00449
0.00000
8
-0.02432
-0.00449
0.00000
9
0.02786
-0.03268
0.00000
10
-0.02786
0.03268
0.00000
11
-0.02786
-0.03268
0.00000
12
0.02786
0.03268
0.00000
13
0.21771
0.00251
0.00000
14
-0.21771
-0.00251
0.00000
15
-0.21771
0.00251
0.00000
16
0.21771
-0.00251
0.00000
17
-0.00207
0.02258
0.00000
18
0.00207
-0.02257
0.00000
19
0.00207
0.02258
0.00000
20
-0.00207
-0.02257
0.00000