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)
-0.35500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03737
0.00000
0.00000
2
0.00890
0.00000
0.00000
3
0.00070
0.00000
-0.05431
4
0.00070
0.00000
0.05431
5
-0.04984
0.00000
-0.03064
6
-0.04984
0.00000
0.03064
7
0.00628
0.00000
-0.02865
8
0.00628
0.00000
0.02865
9
0.03325
0.00000
0.06415
10
0.03325
0.00000
-0.06415
11
0.00804
0.00000
-0.01546
12
0.00804
0.00000
0.01546
13
-0.34985
0.00000
-0.05367
14
-0.34985
0.00000
0.05367
15
-0.01018
0.00000
-0.00614
16
-0.01018
0.00000
0.00614
17
0.19904
0.00000
0.39057
18
0.19904
0.00000
-0.39057
19
-0.09580
0.00000
-0.09303
20
-0.09580
0.00000
0.09303