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)
0.21500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00395
2
0.00000
0.00000
0.01201
3
-0.01799
0.00000
-0.00534
4
0.01799
0.00000
-0.00534
5
-0.01282
0.00000
-0.00950
6
0.01282
0.00000
-0.00950
7
0.00377
0.00000
-0.00114
8
-0.00377
0.00000
-0.00114
9
0.01097
0.00000
0.00936
10
-0.01097
0.00000
0.00936
11
0.02679
0.00000
-0.04770
12
-0.02679
0.00000
-0.04770
13
0.03436
0.00000
-0.00749
14
-0.03436
0.00000
-0.00749
15
0.01592
0.00000
-0.02225
16
-0.01592
0.00000
-0.02225
17
-0.00353
0.00000
-0.02159
18
0.00353
0.00000
-0.02158
19
-0.21778
0.29197
0.30152
20
-0.21778
-0.29197
0.30152
21
0.21778
0.29197
0.30152
22
0.21778
-0.29197
0.30152