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)
-0.28700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01123
0.00000
2
0.00000
0.00471
-0.00635
3
0.00000
0.00472
0.00637
4
0.00000
-0.03711
0.01037
5
0.00000
-0.03711
-0.01038
6
0.00000
0.06286
-0.01562
7
0.00000
0.06285
0.01558
8
0.00000
0.01020
-0.03581
9
0.00000
0.01017
0.03581
10
0.00000
-0.05510
0.00002
11
0.00000
0.37582
0.00000
12
0.00000
-0.18089
0.23120
13
0.00000
-0.18087
-0.23115
14
0.00000
-0.13906
-0.46164
15
0.00000
-0.13908
0.46171
16
0.00000
0.00590
-0.01977
17
0.00000
0.00589
0.01986
18
0.00000
0.07410
0.00002