Charge: 2
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-7H,8H2/q+2
Electronic States
Energy
(eV)
-385.86921
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09470 b
(cm-1)
0.04162 c
(cm-1)
0.02891
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.41127
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.11500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06832
0.00000
2
0.00000
-0.00587
0.00883
3
0.00000
-0.00588
-0.00883
4
0.00000
0.03972
0.07459
5
0.00000
0.03973
-0.07457
6
0.00000
-0.04834
0.02850
7
0.00000
-0.04840
-0.02850
8
0.00000
0.03802
0.07903
9
0.00000
0.03801
-0.07901
10
0.00000
-0.07129
-0.00001
11
0.00000
0.21202
0.00000
12
0.00000
0.18234
-0.23823
13
0.00000
0.18232
0.23820
14
0.00000
-0.01362
-0.18060
15
0.00000
-0.01357
0.18042
16
0.00000
0.11039
-0.09999
17
0.00000
0.11038
0.10001
18
0.00000
0.33230
-0.00001