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)
-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)
0.38900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04756
-0.02317
0.00000
2
-0.04757
-0.02317
0.00000
3
-0.04756
0.02317
0.00000
4
-0.04757
0.02317
0.00000
5
-0.00865
-0.06543
0.00000
6
-0.00866
-0.06543
0.00000
7
-0.00865
0.06543
0.00000
8
-0.00866
0.06543
0.00000
9
0.05751
-0.09438
0.00000
10
0.05751
-0.09437
0.00000
11
0.05751
0.09437
0.00000
12
0.05751
0.09437
0.00000
13
-0.00537
0.00891
0.00000
14
-0.00537
0.00891
0.00000
15
-0.00537
-0.00891
0.00000
16
-0.00537
-0.00891
0.00000
17
-0.00994
-0.13129
0.00000
18
-0.00994
-0.13129
0.00000
19
-0.00994
0.13129
0.00000
20
-0.00994
0.13129
0.00000