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)
-0.39800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01682
0.00000
0.00000
2
-0.10614
0.00000
0.00000
3
0.04008
0.00000
0.00779
4
0.04008
0.00000
-0.00779
5
0.05781
0.00000
-0.04799
6
0.05781
0.00000
0.04799
7
-0.02818
0.00000
-0.03963
8
-0.02818
0.00000
0.03963
9
0.03565
0.00000
0.10282
10
0.03565
0.00000
-0.10282
11
-0.01009
0.00000
-0.00162
12
-0.01009
0.00000
0.00162
13
-0.21483
0.00000
-0.07646
14
-0.21483
0.00000
0.07646
15
-0.04595
0.00000
-0.02450
16
-0.04595
0.00000
0.02450
17
-0.16591
0.00000
-0.29413
18
-0.16591
0.00000
0.29413
19
0.02446
0.00000
0.02324
20
0.02446
0.00000
-0.02324