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)
-385.86921
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)
0.00000
Diff mu Z
(Debye)
-0.40900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00427
2
0.00000
-0.00423
-0.00353
3
0.00000
0.00423
-0.00352
4
0.00000
-0.01453
-0.00700
5
0.00000
0.01454
-0.00699
6
0.00000
-0.00544
0.02332
7
0.00000
0.00543
0.02332
8
0.00000
0.09674
-0.01378
9
0.00000
-0.09674
-0.01378
10
0.00000
0.00000
0.08674
11
0.00000
-0.00002
0.00476
12
0.00000
0.02501
-0.02962
13
0.00000
-0.02502
-0.02965
14
0.00000
-0.02716
-0.05617
15
0.00000
0.02717
-0.05613
16
0.00000
0.26727
-0.49560
17
0.00000
-0.26727
-0.49559
18
0.00000
-0.00002
0.09771