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)
-0.14900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04530
2
0.00000
0.01883
-0.01801
3
0.00000
-0.01883
-0.01801
4
0.00000
-0.04095
0.00879
5
0.00000
0.04095
0.00879
6
0.00000
0.00078
0.00174
7
0.00000
-0.00078
0.00174
8
0.00000
-0.00086
-0.00035
9
0.00000
0.00086
-0.00035
10
0.00000
0.00000
0.00020
11
0.00000
0.00000
-0.52652
12
0.00000
0.22952
0.18693
13
0.00000
-0.22953
0.18694
14
0.00000
0.46728
-0.10102
15
0.00000
-0.46726
-0.10101
16
0.00000
0.00913
0.00197
17
0.00000
-0.00914
0.00197
18
0.00000
0.00000
-0.00452