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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.21900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00125
2
0.00000
0.00000
0.13420
3
-0.06596
0.00000
-0.06136
4
0.06596
0.00000
-0.06136
5
0.06282
0.00000
-0.02732
6
-0.06282
0.00000
-0.02732
7
0.00382
0.00000
0.06038
8
-0.00382
0.00000
0.06038
9
-0.01987
0.00000
-0.02453
10
0.01987
0.00000
-0.02453
11
0.05897
0.00000
0.01948
12
-0.05897
0.00000
0.01948
13
0.07803
0.00000
-0.02666
14
-0.07803
0.00000
-0.02666
15
0.20032
0.00000
-0.27014
16
-0.20032
0.00000
-0.27014
17
-0.05701
0.00000
-0.10404
18
0.05701
0.00000
-0.10404
19
0.03107
0.00000
-0.00837
20
-0.03107
0.00000
-0.00837