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)
-461.16789
Description
D0
Multiplicity
2
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)
0.09098 b
(cm-1)
0.02284 c
(cm-1)
0.01826
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)
-0.67800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02451
-0.05838
0.00000
2
0.02451
-0.05838
0.00000
3
-0.02451
-0.05838
0.00000
4
-0.02451
-0.05838
0.00000
5
0.10708
-0.00395
0.00000
6
0.10708
-0.00395
0.00000
7
-0.10708
-0.00395
0.00000
8
-0.10708
-0.00395
0.00000
9
0.01257
0.06170
0.00000
10
0.01257
0.06170
0.00000
11
-0.01257
0.06170
0.00000
12
-0.01257
0.06170
0.00000
13
0.10727
-0.01189
0.00000
14
0.10727
-0.01189
0.00000
15
-0.10727
-0.01189
0.00000
16
-0.10727
-0.01189
0.00000
17
-0.06613
0.01933
0.00000
18
-0.06613
0.01933
0.00000
19
0.06613
0.01933
0.00000
20
0.06613
0.01933
0.00000