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)
0.30900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03445
2
0.00000
0.00000
0.01301
3
0.00213
0.00000
-0.06358
4
-0.00213
0.00000
-0.06358
5
-0.02388
0.00000
-0.01823
6
0.02388
0.00000
-0.01823
7
0.01982
0.00000
-0.01937
8
-0.01982
0.00000
-0.01937
9
0.01326
0.00000
0.05242
10
-0.01326
0.00000
0.05242
11
0.00729
0.00000
0.03473
12
-0.00729
0.00000
0.03473
13
-0.35622
0.00000
-0.04353
14
0.35622
0.00000
-0.04353
15
0.08831
0.00000
-0.13895
16
-0.08831
0.00000
-0.13895
17
0.19527
0.00000
0.41249
18
-0.19527
0.00000
0.41249
19
0.04234
0.00000
0.06473
20
-0.04234
0.00000
0.06473