Charge: 1
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-8H,4H2/q+1
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)
0.00000
Diff mu Z
(Debye)
-1.65800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02350
2
0.00000
0.03728
-0.03031
3
0.00000
-0.03728
-0.03031
4
0.00000
0.02184
-0.00371
5
0.00000
-0.02184
-0.00371
6
0.00000
0.00051
-0.00046
7
0.00000
-0.00051
-0.00046
8
0.00000
0.00002
-0.00010
9
0.00000
-0.00002
-0.00010
10
0.00000
0.00000
0.00034
11
0.00000
0.00000
-0.30563
12
0.00000
0.44978
0.36465
13
0.00000
-0.44978
0.36465
14
0.00000
-0.27220
0.05838
15
0.00000
0.27220
0.05838
16
0.00000
0.00320
0.00125
17
0.00000
-0.00320
0.00125
18
0.00000
0.00000
-0.00333