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)
-385.33849
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09497 b
(cm-1)
0.04175 c
(cm-1)
0.02900
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.45804
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)
0.37400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.06728
2
0.00000
0.07912
0.09318
3
0.00000
-0.07912
0.09318
4
0.00000
0.05498
0.00544
5
0.00000
-0.05498
0.00544
6
0.00000
-0.04866
-0.06087
7
0.00000
0.04866
-0.06087
8
0.00000
-0.00908
0.04637
9
0.00000
0.00908
0.04637
10
0.00000
0.00000
-0.01507
11
0.00000
0.00000
-0.07757
12
0.00000
0.22728
-0.28377
13
0.00000
-0.22728
-0.28377
14
0.00000
0.03997
-0.09879
15
0.00000
-0.03997
-0.09879
16
0.00000
0.03775
-0.08082
17
0.00000
-0.03775
-0.08082
18
0.00000
0.00000
-0.01843