Charge: 1
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+1
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)
0.16900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04503
0.00000
0.00000
2
0.00789
0.00000
0.00000
3
-0.09147
0.00000
0.04615
4
-0.09147
0.00000
-0.04615
5
-0.07976
0.00000
-0.03366
6
-0.07975
0.00000
0.03366
7
0.03481
0.00000
-0.02665
8
0.03481
0.00000
0.02665
9
0.06680
0.00000
0.04169
10
0.06680
0.00000
-0.04169
11
0.03888
0.00000
0.04499
12
0.03888
0.00000
-0.04499
13
0.23278
0.00000
-0.02130
14
0.23278
0.00000
0.02130
15
0.06819
0.00000
-0.07318
16
0.06819
0.00000
0.07319
17
-0.00487
0.00000
-0.11242
18
-0.00487
0.00000
0.11243
19
-0.12264
-0.01632
-0.10659
20
-0.12264
0.01632
-0.10659
21
-0.12264
0.01632
0.10658
22
-0.12264
-0.01632
0.10658