Charge: -1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q-1
Electronic States
Energy
(eV)
-461.48811
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Symmetry Elements
S0
Rotational Constants
(cm-1)
0.05036 b
(cm-1)
0.04065 c
(cm-1)
0.02249
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.14723
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.16500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08419
0.00000
0.00000
2
-0.02366
0.00000
0.00000
3
-0.05485
0.00000
-0.06293
4
-0.05485
0.00000
0.06293
5
0.01150
0.00000
0.05986
6
0.01150
0.00000
-0.05986
7
-0.03384
0.00000
0.02635
8
-0.03384
0.00000
-0.02635
9
0.01634
0.00000
0.05160
10
0.01634
0.00000
-0.05160
11
0.10004
0.00000
0.06814
12
0.10004
0.00000
-0.06814
13
0.03151
0.00000
0.06122
14
0.03151
0.00000
-0.06122
15
-0.08295
0.00000
0.10669
16
-0.08295
0.00000
-0.10669
17
0.01720
0.00000
0.05515
18
0.01720
0.00000
-0.05515
19
0.20975
0.00000
0.14767
20
0.20975
0.00000
-0.14767