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)
-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)
0.29100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01371
0.00000
0.00000
2
-0.11410
0.00000
0.00000
3
0.05077
0.00000
0.06688
4
0.05077
0.00000
-0.06688
5
0.01394
0.00000
0.01776
6
0.01394
0.00000
-0.01776
7
-0.02357
0.00000
0.01469
8
-0.02357
0.00000
-0.01469
9
0.00116
0.00000
-0.00300
10
0.00116
0.00000
0.00300
11
0.02075
0.00000
-0.00432
12
0.02075
0.00000
0.00432
13
0.29927
0.00000
0.00003
14
0.29927
0.00000
-0.00003
15
-0.13805
0.00000
-0.16492
16
-0.13805
0.00000
0.16492
17
0.02838
0.00000
-0.05361
18
0.02838
0.00000
0.05361
19
-0.34270
0.00000
0.23638
20
-0.34270
0.00000
-0.23638