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)
-0.73900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.08226
2
0.00000
0.00000
-0.03266
3
-0.03315
0.00000
-0.00915
4
0.03314
0.00000
-0.00915
5
0.03144
0.00000
-0.04021
6
-0.03144
0.00000
-0.04021
7
0.00309
0.00000
-0.04299
8
-0.00309
0.00000
-0.04299
9
0.03160
0.00000
0.10979
10
-0.03160
0.00000
0.10979
11
-0.01696
0.00000
-0.00682
12
0.01696
0.00000
-0.00682
13
-0.26465
0.00000
-0.06864
14
0.26465
0.00000
-0.06864
15
0.00059
0.00000
-0.04814
16
-0.00059
0.00000
-0.04814
17
-0.19102
0.00000
-0.32884
18
0.19102
0.00000
-0.32884
19
0.02477
0.00000
0.02384
20
-0.02477
0.00000
0.02384