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)
0.11600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00510
2
0.00000
0.00000
0.06499
3
-0.03157
0.00000
-0.04269
4
0.03157
0.00000
-0.04269
5
-0.07208
0.00000
0.06653
6
0.07208
0.00000
0.06653
7
-0.04144
0.00000
0.01811
8
0.04144
0.00000
0.01811
9
-0.07975
0.00000
0.04284
10
0.07975
0.00000
0.04284
11
0.00381
0.00000
-0.11404
12
-0.00381
0.00000
-0.11404
13
-0.10669
0.00000
0.06723
14
0.10669
0.00000
0.06723
15
-0.05575
0.00000
0.03657
16
0.05575
0.00000
0.03657
17
-0.09792
0.00000
0.01295
18
0.09792
0.00000
0.01295
19
-0.00495
0.00000
-0.12501
20
0.00495
0.00000
-0.12501