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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-1.06900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00068
2
0.00000
0.00000
-0.00004
3
-0.00050
0.00000
0.00010
4
0.00050
0.00000
0.00010
5
0.00014
0.00000
-0.00015
6
-0.00014
0.00000
-0.00015
7
0.00036
0.00000
0.00050
8
-0.00036
0.00000
0.00050
9
0.00013
0.00000
-0.00038
10
-0.00013
0.00000
-0.00038
11
0.02880
0.00000
-0.03696
12
-0.02880
0.00000
-0.03696
13
-0.00001
0.00000
0.00221
14
0.00001
0.00000
0.00221
15
-0.00553
0.00000
-0.00444
16
0.00553
0.00000
-0.00444
17
-0.00125
0.00000
0.00036
18
0.00125
0.00000
0.00036
19
-0.16425
-0.40018
0.21871
20
-0.16425
0.40019
0.21871
21
0.16424
-0.40018
0.21870
22
0.16425
0.40018
0.21870