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)
1.46200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00319
2
0.00000
-0.01222
-0.00399
3
0.00000
0.01222
-0.00399
4
0.00000
0.03436
-0.01007
5
0.00000
-0.03436
-0.01007
6
0.00000
-0.13110
0.01037
7
0.00000
0.13110
0.01037
8
0.00000
-0.00754
-0.06955
9
0.00000
0.00754
-0.06956
10
0.00000
0.00000
0.06430
11
0.00000
0.00000
0.00517
12
0.00000
0.02757
-0.01915
13
0.00000
-0.02756
-0.01914
14
0.00000
0.12168
0.40990
15
0.00000
-0.12168
0.40990
16
0.00000
-0.04218
0.04112
17
0.00000
0.04219
0.04113
18
0.00000
0.00001
0.07169