Charge: 1
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-7H,8H2/q+1
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)
0.91600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05840
0.00000
2
0.00000
-0.04087
-0.08747
3
0.00000
-0.04087
0.08747
4
0.00000
0.03456
-0.01460
5
0.00000
0.03456
0.01460
6
0.00000
-0.02132
-0.01223
7
0.00000
-0.02131
0.01223
8
0.00000
0.00198
0.00242
9
0.00000
0.00198
-0.00243
10
0.00000
0.00801
0.00000
11
0.00000
0.56363
0.00000
12
0.00000
0.28520
-0.31241
13
0.00000
0.28520
0.31240
14
0.00000
0.03873
-0.02898
15
0.00000
0.03872
0.02899
16
0.00000
-0.00198
0.01595
17
0.00000
-0.00197
-0.01594
18
0.00000
0.00325
0.00000