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)
-0.09000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00009
0.00000
0.00000
2
-0.00207
0.00000
0.00000
3
-0.00058
0.00000
0.00057
4
-0.00058
0.00000
-0.00057
5
0.00331
0.00000
-0.03775
6
0.00331
0.00000
0.03774
7
0.02013
0.00000
0.01102
8
0.02013
0.00000
-0.01102
9
-0.03211
0.00000
0.01662
10
-0.03211
0.00000
-0.01662
11
0.00004
0.00000
-0.00003
12
0.00004
0.00000
0.00003
13
-0.03168
0.00000
0.44340
14
-0.03168
0.00000
-0.44336
15
-0.23185
0.00000
-0.13642
16
-0.23183
0.00000
0.13641
17
0.38610
0.00000
-0.19532
18
0.38606
0.00000
0.19530
19
-0.00006
0.00000
0.00100
20
-0.00007
0.00000
-0.00100