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)
-384.61791
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09639 b
(cm-1)
0.04048 c
(cm-1)
0.02851
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.27338
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
1.18400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.18301
0.00000
2
0.00000
0.10227
0.05845
3
0.00000
0.10227
-0.05845
4
0.00000
-0.01375
0.04647
5
0.00000
-0.01375
-0.04647
6
0.00000
-0.01050
-0.04563
7
0.00000
-0.01050
0.04563
8
0.00000
0.02287
-0.02582
9
0.00000
0.02287
0.02582
10
0.00000
-0.04454
0.00000
11
0.00000
0.27992
0.00000
12
0.00000
0.00385
0.07903
13
0.00000
0.00385
-0.07903
14
0.00000
-0.01263
0.05997
15
0.00000
-0.01263
-0.05997
16
0.00000
0.00523
0.04087
17
0.00000
0.00523
-0.04087
18
0.00000
0.03392
0.00000