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)
-0.26300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01889
0.00000
0.00000
2
-0.05595
0.00000
0.00000
3
0.01956
0.00000
-0.07737
4
0.01956
0.00000
0.07737
5
-0.02715
0.00000
0.08489
6
-0.02715
0.00000
-0.08489
7
0.08594
0.00000
-0.01508
8
0.08594
0.00000
0.01508
9
0.04641
0.00000
-0.00685
10
0.04641
0.00000
0.00685
11
-0.07855
0.00000
0.07587
12
-0.07855
0.00000
-0.07587
13
-0.04104
0.00000
0.08346
14
-0.04104
0.00000
-0.08346
15
0.06551
0.00000
0.01981
16
0.06551
0.00000
-0.01981
17
-0.00491
0.00000
-0.10684
18
-0.00491
0.00000
0.10684
19
-0.06210
-0.00444
0.08238
20
-0.06210
0.00444
0.08238
21
-0.06210
0.00444
-0.08238
22
-0.06210
-0.00444
-0.08238