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)
-385.85306
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09480 b
(cm-1)
0.04163 c
(cm-1)
0.02893
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.43892
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.42500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.07861
0.00000
2
0.00000
0.03524
0.03779
3
0.00000
0.03521
-0.03777
4
0.00000
-0.00055
0.01152
5
0.00000
-0.00056
-0.01154
6
0.00000
-0.02105
0.01810
7
0.00000
-0.02102
-0.01810
8
0.00000
0.06221
-0.05635
9
0.00000
0.06221
0.05635
10
0.00000
-0.02626
0.00001
11
0.00000
-0.31329
0.00000
12
0.00000
0.08632
-0.10023
13
0.00000
0.08648
0.10040
14
0.00000
-0.04531
-0.18830
15
0.00000
-0.04530
0.18815
16
0.00000
-0.10676
0.45492
17
0.00000
-0.10675
-0.45493
18
0.00000
-0.11287
0.00001