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)
0.16100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04959
0.00000
0.00000
2
-0.01090
0.00000
0.00000
3
-0.05995
0.00000
-0.01139
4
-0.05995
0.00000
0.01139
5
-0.04549
0.00000
-0.02488
6
-0.04549
0.00000
0.02488
7
0.03497
0.00000
-0.02982
8
0.03497
0.00000
0.02982
9
0.03353
0.00000
0.03300
10
0.03353
0.00000
-0.03300
11
-0.03198
0.00000
-0.09885
12
-0.03198
0.00000
0.09885
13
0.16753
0.00000
-0.01370
14
0.16753
0.00000
0.01370
15
0.01999
0.00000
0.00206
16
0.01999
0.00000
-0.00206
17
0.01135
0.00000
-0.01894
18
0.01135
0.00000
0.01894
19
0.39143
0.00000
0.20502
20
0.39143
0.00000
-0.20502