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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04890
-0.06368
0.00000
2
-0.04891
0.06369
0.00000
3
-0.04890
-0.06369
0.00000
4
0.04890
0.06369
0.00000
5
-0.04523
0.05157
0.00000
6
0.04523
-0.05158
0.00000
7
0.04522
0.05158
0.00000
8
-0.04522
-0.05158
0.00000
9
0.04173
0.02662
0.00000
10
-0.04173
-0.02662
0.00000
11
-0.04171
0.02661
0.00000
12
0.04171
-0.02661
0.00000
13
-0.06104
-0.10437
0.00000
14
0.06104
0.10438
0.00000
15
0.06103
-0.10437
0.00000
16
-0.06104
0.10438
0.00000
17
-0.24096
-0.11586
0.00000
18
0.24097
0.11587
0.00000
19
0.24094
-0.11585
0.00000
20
-0.24095
0.11585
0.00000