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)
-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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.92200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.03025
2
0.00000
0.00000
0.09923
3
-0.12093
0.00000
-0.03670
4
0.12093
0.00000
-0.03671
5
-0.01433
0.00000
-0.03759
6
0.01432
0.00000
-0.03759
7
0.03940
0.00000
0.00242
8
-0.03940
0.00000
0.00243
9
0.00823
0.00000
0.00803
10
-0.00823
0.00000
0.00802
11
-0.01870
0.00000
-0.02319
12
0.01870
0.00000
-0.02319
13
0.21978
0.00000
-0.02457
14
-0.21977
0.00000
-0.02457
15
0.11890
0.00000
-0.11739
16
-0.11891
0.00000
-0.11740
17
0.00746
0.00000
0.00223
18
-0.00747
0.00000
0.00223
19
-0.01101
0.12786
0.20260
20
-0.01101
-0.12786
0.20260
21
0.01101
0.12786
0.20259
22
0.01101
-0.12786
0.20259