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)
-0.21100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00053
0.00000
0.00000
2
-0.00014
0.00000
0.00000
3
-0.00037
0.00000
0.00120
4
-0.00037
0.00000
-0.00120
5
0.00021
0.00000
0.00003
6
0.00021
0.00000
-0.00003
7
-0.00065
0.00000
-0.00045
8
-0.00065
0.00000
0.00045
9
-0.00057
0.00000
0.00006
10
-0.00057
0.00000
-0.00006
11
-0.03322
0.00000
0.04733
12
-0.03322
0.00000
-0.04733
13
-0.00006
0.00000
-0.00023
14
-0.00006
0.00000
0.00023
15
0.00751
0.00000
0.00343
16
0.00751
0.00000
-0.00343
17
0.00587
0.00000
-0.00323
18
0.00587
0.00000
0.00323
19
0.39620
0.00000
-0.54698
20
0.39620
0.00000
0.54698