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)
0.60500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.09227
2
0.00000
0.00000
0.04220
3
0.08577
0.00000
-0.00729
4
-0.08577
0.00000
-0.00729
5
0.11225
0.00000
0.02044
6
-0.11225
0.00000
0.02044
7
-0.03907
0.00000
0.01583
8
0.03907
0.00000
0.01583
9
-0.05942
0.00000
-0.01843
10
0.05942
0.00000
-0.01843
11
-0.05322
0.00000
0.01007
12
0.05322
0.00000
0.01007
13
-0.25946
0.00000
-0.00232
14
0.25946
0.00000
-0.00232
15
-0.07358
0.00000
0.06195
16
0.07358
0.00000
0.06195
17
-0.08574
0.00000
-0.05340
18
0.08574
0.00000
-0.05340
19
-0.02307
0.00000
0.04629
20
0.02307
0.00000
0.04630