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)
0.22100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.10696
0.00000
-0.00001
2
-0.00080
0.00000
-0.00001
3
-0.01100
0.00000
-0.09773
4
-0.01099
0.00000
0.09772
5
0.03048
0.00000
-0.03623
6
0.03048
0.00000
0.03624
7
0.05994
0.00000
-0.01233
8
0.05995
0.00000
0.01233
9
-0.05062
0.00000
0.03886
10
-0.05063
0.00000
-0.03886
11
0.01916
0.00000
-0.05851
12
0.01913
0.00000
0.05852
13
0.24532
0.00000
-0.02112
14
0.24534
0.00000
0.02113
15
0.07673
0.00000
-0.04353
16
0.07677
0.00000
0.04360
17
-0.07366
0.00000
-0.00431
18
-0.07365
0.00000
0.00426
19
-0.17773
0.00000
-0.20590
20
-0.17802
0.00000
0.20609