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)
-385.86921
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09470 b
(cm-1)
0.04162 c
(cm-1)
0.02891
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.41127
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.03700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.05687
0.00000
2
0.00000
-0.00505
0.05637
3
0.00000
-0.00505
-0.05637
4
0.00000
-0.08491
0.06265
5
0.00000
-0.08491
-0.06265
6
0.00000
0.07043
-0.00712
7
0.00000
0.07043
0.00713
8
0.00000
-0.02042
-0.04261
9
0.00000
-0.02043
0.04260
10
0.00000
-0.02051
0.00001
11
0.00000
0.23893
0.00000
12
0.00000
0.10972
-0.20426
13
0.00000
0.10972
0.20425
14
0.00000
-0.05293
0.23306
15
0.00000
-0.05293
-0.23308
16
0.00000
-0.08120
0.13226
17
0.00000
-0.08123
-0.13232
18
0.00000
0.32826
0.00001