Charge: 0
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
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)
0.22300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.13392
0.00000
0.00000
2
-0.06213
0.00000
0.00000
3
-0.00896
0.00000
0.06444
4
-0.00896
0.00000
-0.06444
5
0.02525
0.00000
-0.01144
6
0.02525
0.00000
0.01144
7
0.02914
0.00000
0.02222
8
0.02914
0.00000
-0.02222
9
0.01854
0.00000
-0.01260
10
0.01854
0.00000
0.01260
11
-0.00141
0.00000
0.00586
12
-0.00141
0.00000
-0.00586
13
-0.06761
0.00000
-0.02104
14
-0.06761
0.00000
0.02104
15
0.27639
0.00000
-0.38192
16
0.27639
0.00000
0.38192
17
0.11330
0.00000
0.16611
18
0.11330
0.00000
-0.16611
19
0.10022
0.00000
0.08160
20
0.10022
0.00000
-0.08160