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
-0.00170
0.02159
0.00000
2
0.00170
-0.02159
0.00000
3
-0.00170
-0.02159
0.00000
4
0.00170
0.02159
0.00000
5
0.03837
0.07589
0.00000
6
-0.03837
-0.07589
0.00000
7
0.03838
-0.07589
0.00000
8
-0.03838
0.07589
0.00000
9
0.00407
0.10768
0.00000
10
-0.00407
-0.10768
0.00000
11
0.00407
-0.10767
0.00000
12
-0.00407
0.10767
0.00000
13
0.03817
0.08549
0.00000
14
-0.03817
-0.08548
0.00000
15
0.03817
-0.08548
0.00000
16
-0.03817
0.08548
0.00000
17
-0.02694
0.09290
0.00000
18
0.02694
-0.09290
0.00000
19
-0.02694
-0.09290
0.00000
20
0.02694
0.09290
0.00000