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
-0.04516
0.02499
0.00000
2
0.04516
-0.02499
0.00000
3
-0.04516
-0.02499
0.00000
4
0.04516
0.02499
0.00000
5
0.01433
0.06382
0.00000
6
-0.01433
-0.06382
0.00000
7
0.01433
-0.06382
0.00000
8
-0.01433
0.06382
0.00000
9
0.02060
-0.02895
0.00000
10
-0.02060
0.02895
0.00000
11
0.02060
0.02895
0.00000
12
-0.02060
-0.02895
0.00000
13
0.00531
-0.32604
0.00000
14
-0.00531
0.32604
0.00000
15
0.00531
0.32603
0.00000
16
-0.00531
-0.32603
0.00000
17
-0.16386
-0.13111
0.00000
18
0.16386
0.13111
0.00000
19
-0.16386
0.13111
0.00000
20
0.16386
-0.13111
0.00000