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)
0.15000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.06490
0.00000
2
0.00000
-0.01572
0.03538
3
0.00000
-0.01572
-0.03538
4
0.00000
-0.06860
0.03989
5
0.00000
-0.06860
-0.03989
6
0.00000
0.06536
0.01074
7
0.00000
0.06536
-0.01074
8
0.00000
-0.04697
-0.02184
9
0.00000
-0.04698
0.02184
10
0.00000
0.02445
0.00000
11
0.00000
0.20924
0.00000
12
0.00000
0.06901
-0.14468
13
0.00000
0.06901
0.14468
14
0.00000
-0.04560
0.16837
15
0.00000
-0.04560
-0.16838
16
0.00000
-0.13748
0.23584
17
0.00000
-0.13749
-0.23585
18
0.00000
0.52523
0.00000