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)
2.02700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02208
2
0.00000
0.00000
0.02208
3
0.00000
0.00000
0.02208
4
0.00000
0.00000
0.02208
5
0.00000
0.00000
-0.03859
6
0.00000
0.00000
-0.03859
7
0.00000
0.00000
-0.03859
8
0.00000
0.00000
-0.03859
9
0.00000
0.00000
-0.03744
10
0.00000
0.00000
-0.03744
11
0.00000
0.00000
-0.03744
12
0.00000
0.00000
-0.03744
13
0.00000
0.00000
0.29376
14
0.00000
0.00000
0.29376
15
0.00000
0.00000
0.29376
16
0.00000
0.00000
0.29376
17
0.00000
0.00000
0.34862
18
0.00000
0.00000
0.34862
19
0.00000
0.00000
0.34862
20
0.00000
0.00000
0.34862