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)
-0.04200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.14600
2
0.00000
0.00000
-0.11174
3
-0.06754
0.00000
-0.01874
4
0.06754
0.00000
-0.01874
5
0.06256
0.00000
0.04578
6
-0.06255
0.00000
0.04578
7
0.04010
0.00000
0.01317
8
-0.04010
0.00000
0.01317
9
-0.05798
0.00000
-0.06494
10
0.05798
0.00000
-0.06494
11
-0.03070
0.00000
-0.01263
12
0.03070
0.00000
-0.01263
13
-0.12662
0.00000
0.03724
14
0.12662
0.00000
0.03724
15
0.03042
0.00000
0.03832
16
-0.03042
0.00000
0.03832
17
0.03491
0.00000
0.13011
18
-0.03491
0.00000
0.13011
19
0.03288
0.00000
0.03510
20
-0.03288
0.00000
0.03510