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)
-0.24300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08642
0.00000
0.00000
2
0.09630
0.00000
0.00000
3
0.10475
0.00000
-0.03325
4
0.10475
0.00000
0.03325
5
-0.08544
0.00000
-0.01306
6
-0.08544
0.00000
0.01306
7
-0.07121
0.00000
0.04330
8
-0.07121
0.00000
-0.04330
9
0.05109
0.00000
0.02238
10
0.05109
0.00000
-0.02238
11
-0.01976
0.00000
-0.01083
12
-0.01976
0.00000
0.01083
13
0.12147
0.00000
0.00039
14
0.12147
0.00000
-0.00039
15
0.01393
0.00000
-0.11301
16
0.01393
0.00000
0.11301
17
0.00380
0.00000
-0.08226
18
0.00380
0.00000
0.08226
19
0.04702
0.00000
0.03442
20
0.04702
0.00000
-0.03442