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)
-0.31300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.06031
0.00000
2
0.00000
-0.02791
0.08355
3
0.00000
-0.02791
-0.08354
4
0.00000
0.00037
0.08864
5
0.00000
0.00037
-0.08864
6
0.00000
-0.01827
0.11713
7
0.00000
-0.01827
-0.11713
8
0.00000
0.01688
0.01706
9
0.00000
0.01688
-0.01706
10
0.00000
-0.01609
0.00000
11
0.00000
0.34418
0.00000
12
0.00000
-0.01933
-0.10506
13
0.00000
-0.01933
0.10506
14
0.00000
0.00734
0.14325
15
0.00000
0.00734
-0.14326
16
0.00000
-0.00905
0.10847
17
0.00000
-0.00906
-0.10847
18
0.00000
-0.13954
0.00000