Charge: 1
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-8H,4H2/q+1
Electronic States
Energy
(eV)
-385.86921
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09470 b
(cm-1)
0.04162 c
(cm-1)
0.02891
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.41127
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)
0.40000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.06601
2
0.00000
0.07768
0.09536
3
0.00000
-0.07767
0.09536
4
0.00000
0.05581
-0.00347
5
0.00000
-0.05581
-0.00347
6
0.00000
-0.05703
-0.06871
7
0.00000
0.05703
-0.06871
8
0.00000
-0.01246
0.05855
9
0.00000
0.01246
0.05855
10
0.00000
0.00000
-0.02299
11
0.00000
0.00000
-0.07576
12
0.00000
0.19103
-0.23515
13
0.00000
-0.19103
-0.23515
14
0.00000
0.05053
-0.06181
15
0.00000
-0.05053
-0.06181
16
0.00000
0.04219
-0.09412
17
0.00000
-0.04219
-0.09412
18
0.00000
0.00000
-0.02858