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)
-0.68300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00052
0.00000
0.00000
2
0.00009
0.00000
0.00000
3
-0.00032
0.00000
0.00043
4
-0.00032
0.00000
-0.00043
5
-0.00017
0.00000
-0.00003
6
-0.00017
0.00000
0.00003
7
-0.00012
0.00000
-0.00051
8
-0.00012
0.00000
0.00051
9
0.00001
0.00000
0.00034
10
0.00001
0.00000
-0.00034
11
0.02775
0.00000
-0.03740
12
0.02775
0.00000
0.03740
13
-0.00001
0.00000
-0.00052
14
-0.00001
0.00000
0.00052
15
0.00463
0.00000
0.00377
16
0.00463
0.00000
-0.00377
17
0.00001
0.00000
0.00024
18
0.00001
0.00000
-0.00024
19
-0.16270
-0.40069
0.21932
20
-0.16270
0.40069
0.21932
21
-0.16271
0.40069
-0.21932
22
-0.16271
-0.40069
-0.21932