Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-460.74502
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05226 b
(cm-1)
0.03846 c
(cm-1)
0.02216
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.65729
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)
-0.46000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.07139
2
0.00000
0.00000
-0.05959
3
-0.01624
0.00000
0.01545
4
0.01624
0.00000
0.01545
5
0.05135
0.00000
0.01805
6
-0.05135
0.00000
0.01805
7
0.01295
0.00000
-0.01729
8
-0.01295
0.00000
-0.01729
9
-0.04735
0.00000
0.03752
10
0.04735
0.00000
0.03752
11
-0.01134
0.00000
0.00953
12
0.01134
0.00000
0.00953
13
0.37561
0.00000
-0.00604
14
-0.37561
0.00000
-0.00604
15
-0.11396
0.00000
-0.23177
16
0.11396
0.00000
-0.23177
17
-0.19766
0.00000
0.31139
18
0.19766
0.00000
0.31139
19
0.07540
0.00000
-0.04709
20
-0.07540
0.00000
-0.04709