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)
-385.85306
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09480 b
(cm-1)
0.04163 c
(cm-1)
0.02893
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.43892
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)
0.07600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03088
2
0.00000
-0.02131
0.01645
3
0.00000
0.02131
0.01645
4
0.00000
-0.04380
0.00912
5
0.00000
0.04381
0.00913
6
0.00000
-0.00024
0.00101
7
0.00000
0.00024
0.00101
8
0.00000
-0.00072
-0.00001
9
0.00000
0.00072
-0.00001
10
0.00000
0.00000
-0.00026
11
0.00000
0.00000
0.37237
12
0.00000
-0.25617
-0.20803
13
0.00000
0.25619
-0.20805
14
0.00000
0.51745
-0.10903
15
0.00000
-0.51753
-0.10904
16
0.00000
0.00505
-0.00022
17
0.00000
-0.00505
-0.00022
18
0.00000
0.00000
0.00035