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)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.16300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00259
0.00000
0.00000
2
0.00028
0.00000
0.00000
3
-0.00048
0.00000
0.00258
4
-0.00048
0.00000
-0.00258
5
-0.00071
0.00000
-0.00023
6
-0.00071
0.00000
0.00023
7
0.00073
0.00000
-0.00090
8
0.00073
0.00000
0.00090
9
0.00041
0.00000
0.00091
10
0.00041
0.00000
-0.00091
11
0.02955
0.00000
-0.03819
12
0.02956
0.00000
0.03819
13
-0.00011
0.00000
0.00216
14
-0.00011
0.00000
-0.00216
15
0.00195
0.00000
0.00193
16
0.00195
0.00000
-0.00193
17
-0.00017
0.00000
0.00048
18
-0.00017
0.00000
-0.00048
19
-0.16958
-0.39288
0.22570
20
-0.16958
0.39288
0.22570
21
-0.16961
0.39294
-0.22574
22
-0.16961
-0.39295
-0.22574