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)
0.31200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02779
0.00000
0.00000
2
-0.17953
0.00000
0.00000
3
0.05229
0.00000
0.00158
4
0.05229
0.00000
-0.00158
5
-0.00059
0.00000
-0.02791
6
-0.00059
0.00000
0.02791
7
-0.03221
0.00000
-0.01370
8
-0.03221
0.00000
0.01370
9
0.03316
0.00000
-0.01512
10
0.03316
0.00000
0.01512
11
-0.00729
0.00000
0.02130
12
-0.00729
0.00000
-0.02130
13
0.36279
0.00000
-0.01036
14
0.36279
0.00000
0.01036
15
-0.09655
0.00000
0.09168
16
-0.09655
0.00000
-0.09168
17
0.15212
0.00000
0.21338
18
0.15212
0.00000
-0.21338
19
-0.05512
0.00000
-0.01293
20
-0.05512
0.00000
0.01293