Charge: 0
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
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)
0.09800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.09714
2
0.00000
0.00000
0.08388
3
0.03197
0.00000
-0.09686
4
-0.03197
0.00000
-0.09686
5
0.00887
0.00000
-0.04920
6
-0.00887
0.00000
-0.04920
7
0.01719
0.00000
-0.03509
8
-0.01719
0.00000
-0.03509
9
-0.03598
0.00000
0.02581
10
0.03598
0.00000
0.02581
11
-0.01344
0.00000
0.03144
12
0.01344
0.00000
0.03144
13
0.22346
0.00000
-0.03418
14
-0.22346
0.00000
-0.03418
15
-0.19083
0.00000
0.30439
16
0.19083
0.00000
0.30439
17
-0.01048
0.00000
0.08049
18
0.01048
0.00000
0.08049
19
-0.00483
0.00000
0.04679
20
0.00483
0.00000
0.04679