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)
1.34400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00002
0.01431
2
0.00000
-0.02122
-0.00772
3
0.00000
0.02122
-0.00772
4
0.00000
0.02775
-0.02888
5
0.00000
-0.02774
-0.02891
6
0.00000
-0.14258
0.02202
7
0.00000
0.14256
0.02201
8
0.00000
-0.02961
-0.04202
9
0.00000
0.02963
-0.04205
10
0.00000
-0.00002
0.02773
11
0.00000
0.00004
0.01782
12
0.00000
-0.03184
0.06238
13
0.00000
0.03190
0.06247
14
0.00000
0.11877
0.40213
15
0.00000
-0.11878
0.40220
16
0.00000
-0.02316
-0.06346
17
0.00000
0.02322
-0.06341
18
0.00000
0.00008
0.02798