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)
-462.45186
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04727 b
(cm-1)
0.03942 c
(cm-1)
0.02167
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.01975
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.31100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00003
0.00000
0.00000
2
-0.00319
0.00000
0.00000
3
-0.00044
0.00000
0.00024
4
-0.00044
0.00000
-0.00024
5
0.00415
0.00000
-0.04522
6
0.00415
0.00000
0.04522
7
0.01179
0.00000
0.00626
8
0.01179
0.00000
-0.00626
9
-0.02964
0.00000
0.01719
10
-0.02964
0.00000
-0.01719
11
0.00045
0.00000
-0.00031
12
0.00045
0.00000
0.00031
13
-0.03610
0.00000
0.51788
14
-0.03610
0.00000
-0.51788
15
-0.13333
0.00000
-0.08022
16
-0.13333
0.00000
0.08022
17
0.35483
0.00000
-0.18898
18
0.35483
0.00000
0.18898
19
-0.00161
-0.00466
0.00279
20
-0.00161
0.00466
0.00279
21
-0.00161
0.00466
-0.00279
22
-0.00161
-0.00466
-0.00279