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)
0.27900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04674
0.00000
0.00000
2
0.03666
0.00000
0.00000
3
0.00960
0.00000
-0.02843
4
0.00960
0.00000
0.02843
5
0.00227
0.00000
-0.09051
6
0.00227
0.00000
0.09051
7
0.04601
0.00000
0.04468
8
0.04601
0.00000
-0.04468
9
-0.06074
0.00000
0.03755
10
-0.06074
0.00000
-0.03755
11
-0.05257
0.00000
0.11284
12
-0.05257
0.00000
-0.11284
13
0.06457
0.00000
-0.08671
14
0.06457
0.00000
0.08671
15
0.06729
0.00000
0.00871
16
0.06729
0.00000
-0.00871
17
-0.04606
0.00000
0.06474
18
-0.04606
0.00000
-0.06474
19
0.07762
0.00000
0.20966
20
0.07762
0.00000
-0.20966