Charge: 2
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-8H,4H2/q+2
Electronic States
Energy
(eV)
-385.87618
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09453 b
(cm-1)
0.04092 c
(cm-1)
0.02856
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.38427
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.10600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.04544
0.00000
2
0.00000
-0.01242
0.01977
3
0.00000
-0.01242
-0.01977
4
0.00000
-0.05744
0.01575
5
0.00000
-0.05744
-0.01575
6
0.00000
0.05733
0.01676
7
0.00000
0.05733
-0.01676
8
0.00000
-0.05364
-0.00278
9
0.00000
-0.05364
0.00278
10
0.00000
0.04305
0.00000
11
0.00000
0.13298
0.00000
12
0.00000
0.05421
-0.10697
13
0.00000
0.05421
0.10697
14
0.00000
-0.04235
0.08936
15
0.00000
-0.04235
-0.08936
16
0.00000
-0.14471
0.28088
17
0.00000
-0.14471
-0.28088
18
0.00000
0.65481
0.00000