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)
0.26700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04702
2
0.00000
0.00000
0.09058
3
0.07228
0.00000
-0.02434
4
-0.07228
0.00000
-0.02434
5
0.00215
0.00000
0.07523
6
-0.00215
0.00000
0.07523
7
0.10567
0.00000
-0.02834
8
-0.10567
0.00000
-0.02834
9
0.07803
0.00000
-0.03277
10
-0.07803
0.00000
-0.03277
11
-0.00653
0.00000
-0.05177
12
0.00653
0.00000
-0.05177
13
-0.07296
0.00000
0.06957
14
0.07296
0.00000
0.06957
15
0.10371
0.00000
-0.02310
16
-0.10371
0.00000
-0.02310
17
0.03901
0.00000
-0.11062
18
-0.03901
0.00000
-0.11062
19
0.04076
0.00000
-0.01696
20
-0.04076
0.00000
-0.01696