Charge: 2
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-8H,4H2/q+2
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)
0.00000
Diff mu Z
(Debye)
0.01300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.01253
2
0.00000
-0.04350
-0.04723
3
0.00000
0.04350
-0.04723
4
0.00000
-0.03166
0.04429
5
0.00000
0.03166
0.04429
6
0.00000
0.05147
0.02645
7
0.00000
-0.05147
0.02645
8
0.00000
-0.00896
0.01053
9
0.00000
0.00896
0.01053
10
0.00000
0.00000
-0.03971
11
0.00000
0.00000
-0.01241
12
0.00000
0.30795
-0.37679
13
0.00000
-0.30795
-0.37679
14
0.00000
0.03329
0.34516
15
0.00000
-0.03329
0.34516
16
0.00000
0.00208
-0.03524
17
0.00000
-0.00208
-0.03524
18
0.00000
0.00000
-0.04264