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)
-385.87618
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09453 b
(cm-1)
0.04092 c
(cm-1)
0.02856
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.38427
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.11100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06693
0.00000
2
0.00000
0.02234
0.02453
3
0.00000
0.02234
-0.02453
4
0.00000
-0.01893
-0.01699
5
0.00000
-0.01893
0.01699
6
0.00000
0.04399
0.06236
7
0.00000
0.04399
-0.06236
8
0.00000
0.02587
-0.06897
9
0.00000
0.02587
0.06897
10
0.00000
-0.02670
0.00000
11
0.00000
-0.42270
0.00000
12
0.00000
0.16496
-0.20268
13
0.00000
0.16496
0.20268
14
0.00000
-0.06377
-0.21135
15
0.00000
-0.06377
0.21135
16
0.00000
-0.07588
0.25504
17
0.00000
-0.07588
-0.25504
18
0.00000
-0.25798
0.00000