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)
0.32700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05405
0.00000
2
0.00000
0.03191
-0.02168
3
0.00000
0.03191
0.02168
4
0.00000
-0.05703
-0.12042
5
0.00000
-0.05703
0.12043
6
0.00000
0.05760
0.10229
7
0.00000
0.05761
-0.10229
8
0.00000
-0.01270
0.00646
9
0.00000
-0.01270
-0.00646
10
0.00000
0.00202
0.00000
11
0.00000
0.17028
0.00000
12
0.00000
-0.01760
0.09461
13
0.00000
-0.01760
-0.09462
14
0.00000
0.01207
0.23901
15
0.00000
0.01207
-0.23901
16
0.00000
0.00166
-0.04393
17
0.00000
0.00165
0.04393
18
0.00000
-0.01420
0.00000