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)
-0.60400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00037
2
0.00000
0.00000
0.00041
3
-0.00133
0.00000
0.00117
4
0.00133
0.00000
0.00117
5
0.00009
0.00000
-0.02908
6
-0.00009
0.00000
-0.02908
7
0.02455
0.00000
0.01559
8
-0.02455
0.00000
0.01559
9
0.03993
0.00000
-0.01936
10
-0.03993
0.00000
-0.01936
11
0.00064
0.00000
-0.00077
12
-0.00064
0.00000
-0.00077
13
-0.02189
0.00000
0.31813
14
0.02189
0.00000
0.31813
15
-0.27682
0.00000
-0.16661
16
0.27681
0.00000
-0.16661
17
-0.44313
0.00000
0.22353
18
0.44313
0.00000
0.22353
19
-0.00580
0.00000
0.00672
20
0.00580
0.00000
0.00672