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)
0.25200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02985
0.00000
2
0.00000
-0.04054
0.04420
3
0.00000
-0.04054
-0.04420
4
0.00000
0.10536
-0.01591
5
0.00000
0.10536
0.01591
6
0.00000
0.03603
0.01807
7
0.00000
0.03603
-0.01807
8
0.00000
-0.07653
-0.11688
9
0.00000
-0.07653
0.11688
10
0.00000
-0.02823
0.00000
11
0.00000
0.04542
0.00000
12
0.00000
-0.08466
0.00925
13
0.00000
-0.08466
-0.00925
14
0.00000
0.11640
0.02177
15
0.00000
0.11640
-0.02177
16
0.00000
-0.07829
-0.12295
17
0.00000
-0.07829
0.12295
18
0.00000
0.15975
0.00000