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)
0.00000
Diff mu Z
(Debye)
0.31300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01473
2
0.00000
-0.01316
-0.00801
3
0.00000
0.01316
-0.00801
4
0.00000
0.02104
-0.00403
5
0.00000
-0.02104
-0.00403
6
0.00000
-0.08535
-0.01454
7
0.00000
0.08535
-0.01454
8
0.00000
0.04688
-0.09979
9
0.00000
-0.04688
-0.09979
10
0.00000
0.00000
0.12697
11
0.00000
-0.00001
0.01802
12
0.00000
-0.05292
0.07584
13
0.00000
0.05292
0.07584
14
0.00000
0.07374
0.22166
15
0.00000
-0.07374
0.22165
16
0.00000
-0.06603
0.27770
17
0.00000
0.06603
0.27770
18
0.00000
0.00001
0.15378