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)
-0.34400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04518
0.00000
0.00000
2
0.01299
0.00000
0.00000
3
-0.08324
0.00000
0.04576
4
-0.08324
0.00000
-0.04576
5
-0.07363
0.00000
-0.03050
6
-0.07363
0.00000
0.03050
7
0.01132
0.00000
-0.00829
8
0.01132
0.00000
0.00829
9
0.07095
0.00000
0.04235
10
0.07095
0.00000
-0.04235
11
0.04456
0.00000
0.05620
12
0.04456
0.00000
-0.05620
13
0.17468
0.00000
-0.01920
14
0.17468
0.00000
0.01920
15
0.08954
0.00000
-0.13368
16
0.08954
0.00000
0.13368
17
-0.02402
0.00000
-0.16167
18
-0.02402
0.00000
0.16167
19
-0.22895
0.00000
-0.13824
20
-0.22895
0.00000
0.13824