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)
0.22200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01267
0.00000
2
0.00000
0.06445
-0.11948
3
0.00000
0.06445
0.11948
4
0.00000
0.02819
0.09789
5
0.00000
0.02819
-0.09789
6
0.00000
0.00875
0.04455
7
0.00000
0.00875
-0.04455
8
0.00000
-0.06257
-0.01118
9
0.00000
-0.06257
0.01118
10
0.00000
-0.07484
0.00000
11
0.00000
-0.11409
0.00000
12
0.00000
0.04305
0.14498
13
0.00000
0.04305
-0.14498
14
0.00000
0.02366
0.07585
15
0.00000
0.02366
-0.07585
16
0.00000
-0.08194
0.05437
17
0.00000
-0.08194
-0.05437
18
0.00000
-0.03970
0.00000