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)
-0.33100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07985
0.00000
0.00000
2
-0.06401
0.00000
0.00000
3
0.04237
0.00000
0.05731
4
0.04237
0.00000
-0.05731
5
0.03410
0.00000
-0.04245
6
0.03410
0.00000
0.04245
7
0.00824
0.00000
-0.07629
8
0.00824
0.00000
0.07629
9
0.02512
0.00000
0.09656
10
0.02512
0.00000
-0.09656
11
0.00314
0.00000
-0.00225
12
0.00314
0.00000
0.00225
13
-0.15252
0.00000
-0.05980
14
-0.15252
0.00000
0.05980
15
-0.09894
0.00000
0.09950
16
-0.09894
0.00000
-0.09950
17
-0.12296
0.00000
-0.18646
18
-0.12296
0.00000
0.18646
19
-0.05715
0.09290
0.12029
20
-0.05715
-0.09290
0.12029
21
-0.05715
-0.09290
-0.12030
22
-0.05715
0.09290
-0.12030