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)
0.05300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.07505
0.00000
2
0.00000
-0.06625
0.00483
3
0.00000
-0.06625
-0.00483
4
0.00000
0.05178
0.00836
5
0.00000
0.05178
-0.00836
6
0.00000
0.10251
-0.03662
7
0.00000
0.10251
0.03662
8
0.00000
0.00064
0.10108
9
0.00000
0.00064
-0.10108
10
0.00000
-0.07326
0.00000
11
0.00000
-0.06050
0.00000
12
0.00000
-0.09591
0.03304
13
0.00000
-0.09591
-0.03304
14
0.00000
0.07158
0.09980
15
0.00000
0.07158
-0.09980
16
0.00000
-0.03043
0.19747
17
0.00000
-0.03043
-0.19747
18
0.00000
-0.17596
0.00000