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)
-0.34000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00077
0.00000
0.00000
2
-0.00260
0.00000
0.00000
3
0.00152
0.00000
-0.00137
4
0.00152
0.00000
0.00137
5
0.00230
0.00000
-0.03625
6
0.00230
0.00000
0.03625
7
-0.03947
0.00000
-0.02223
8
-0.03947
0.00000
0.02223
9
0.00939
0.00000
-0.00184
10
0.00939
0.00000
0.00184
11
0.00016
0.00000
-0.00035
12
0.00016
0.00000
0.00035
13
-0.02896
0.00000
0.41459
14
-0.02896
0.00000
-0.41459
15
0.44850
0.00000
0.26500
16
0.44849
0.00000
-0.26499
17
-0.09363
0.00000
0.04366
18
-0.09363
0.00000
-0.04366
19
-0.00418
0.00000
0.00350
20
-0.00418
0.00000
-0.00350