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)
-0.02000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02357
0.00000
0.00000
2
-0.05177
0.00000
0.00000
3
0.01037
0.00000
-0.07136
4
0.01037
0.00000
0.07136
5
-0.02727
0.00000
0.08775
6
-0.02727
0.00000
-0.08775
7
0.08430
0.00000
-0.03105
8
0.08430
0.00000
0.03105
9
0.06400
0.00000
-0.02127
10
0.06400
0.00000
0.02127
11
-0.08861
0.00000
0.05042
12
-0.08861
0.00000
-0.05042
13
-0.05851
0.00000
0.08471
14
-0.05850
0.00000
-0.08471
15
0.06351
0.00000
0.00553
16
0.06351
0.00000
-0.00553
17
0.01058
0.00000
-0.12773
18
0.01058
0.00000
0.12773
19
-0.07664
0.00000
0.05847
20
-0.07664
0.00000
-0.05847