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)
0.00000
Diff mu Z
(Debye)
0.82500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.06496
2
0.00000
0.02939
-0.02115
3
0.00000
-0.02939
-0.02115
4
0.00000
-0.01344
0.00398
5
0.00000
0.01344
0.00398
6
0.00000
0.00036
0.00076
7
0.00000
-0.00036
0.00076
8
0.00000
-0.00055
-0.00015
9
0.00000
0.00055
-0.00015
10
0.00000
0.00000
-0.00004
11
0.00000
0.00000
0.73207
12
0.00000
0.31472
0.25029
13
0.00000
-0.31471
0.25028
14
0.00000
0.14913
-0.03339
15
0.00000
-0.14912
-0.03339
16
0.00000
0.00530
0.00137
17
0.00000
-0.00530
0.00138
18
0.00000
0.00000
-0.00061