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)
-0.49000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02226
2
0.00000
0.00000
-0.03471
3
0.03613
0.00000
0.01832
4
-0.03613
0.00000
0.01832
5
0.03475
0.00000
0.01349
6
-0.03475
0.00000
0.01349
7
0.00790
0.00000
-0.03210
8
-0.00790
0.00000
-0.03210
9
-0.02329
0.00000
0.00260
10
0.02329
0.00000
0.00260
11
0.16994
0.00000
0.01046
12
-0.16994
0.00000
0.01046
13
-0.11830
0.00000
0.00368
14
0.11830
0.00000
0.00368
15
-0.07651
0.00000
0.10873
16
0.07651
0.00000
0.10873
17
-0.01985
0.00000
0.01945
18
0.01985
0.00000
0.01945
19
-0.09333
0.00000
-0.20979
20
0.09333
0.00000
-0.20979