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)
-385.33849
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09497 b
(cm-1)
0.04175 c
(cm-1)
0.02900
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.45804
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)
0.33800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00104
2
0.00000
0.00685
-0.00024
3
0.00000
-0.00685
-0.00024
4
0.00000
0.01652
0.00540
5
0.00000
-0.01652
0.00540
6
0.00000
0.00026
-0.01611
7
0.00000
-0.00026
-0.01611
8
0.00000
-0.10491
0.02077
9
0.00000
0.10491
0.02077
10
0.00000
0.00000
-0.09876
11
0.00000
0.00000
0.00057
12
0.00000
-0.02317
0.02048
13
0.00000
0.02317
0.02049
14
0.00000
0.02457
0.03555
15
0.00000
-0.02457
0.03554
16
0.00000
-0.26556
0.46384
17
0.00000
0.26556
0.46383
18
0.00000
0.00001
-0.11062