Charge: 2
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+2
Electronic States
Energy
(eV)
-462.71585
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04692 b
(cm-1)
0.03973 c
(cm-1)
0.02169
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.33048
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)
0.14600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.04740
2
0.00000
0.00000
-0.09253
3
-0.07103
0.00000
0.02973
4
0.07103
0.00000
0.02972
5
-0.00035
0.00000
-0.07936
6
0.00035
0.00000
-0.07936
7
-0.10324
0.00000
0.02500
8
0.10325
0.00000
0.02500
9
-0.07387
0.00000
0.02771
10
0.07387
0.00000
0.02771
11
0.01675
0.00000
0.05698
12
-0.01675
0.00000
0.05698
13
0.07174
0.00000
-0.07475
14
-0.07174
0.00000
-0.07475
15
-0.09853
0.00000
0.01548
16
0.09853
0.00000
0.01548
17
-0.03392
0.00000
0.10558
18
0.03391
0.00000
0.10558
19
-0.00855
-0.00067
0.03587
20
-0.00855
0.00067
0.03587
21
0.00855
-0.00067
0.03587
22
0.00855
0.00067
0.03587