Charge: 0
Inchi:1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H
Electronic States
Energy
(eV)
-461.42730
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)
0.09388 b
(cm-1)
0.02232 c
(cm-1)
0.01803
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
-0.00138
-0.00018
0.00000
2
0.00138
0.00018
0.00000
3
0.00138
-0.00018
0.00000
4
-0.00138
0.00018
0.00000
5
0.00214
0.02719
0.00000
6
-0.00214
-0.02719
0.00000
7
-0.00214
0.02719
0.00000
8
0.00214
-0.02719
0.00000
9
-0.02632
-0.01671
0.00000
10
0.02632
0.01671
0.00000
11
0.02632
-0.01671
0.00000
12
-0.02632
0.01671
0.00000
13
-0.00973
-0.31796
0.00000
14
0.00973
0.31793
0.00000
15
0.00973
-0.31793
0.00000
16
-0.00973
0.31795
0.00000
17
0.30933
0.17535
0.00000
18
-0.30931
-0.17533
0.00000
19
-0.30931
0.17533
0.00000
20
0.30933
-0.17535
0.00000