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)
-384.61791
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09639 b
(cm-1)
0.04048 c
(cm-1)
0.02851
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.27338
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.95600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00359
0.00000
2
0.00000
-0.03726
0.03072
3
0.00000
-0.03726
-0.03072
4
0.00000
-0.03353
0.00800
5
0.00000
-0.03353
-0.00800
6
0.00000
0.00121
0.00130
7
0.00000
0.00121
-0.00130
8
0.00000
0.00123
0.00027
9
0.00000
0.00123
-0.00027
10
0.00000
-0.00024
0.00000
11
0.00000
-0.00280
-0.00001
12
0.00000
0.42855
0.34495
13
0.00000
0.42855
-0.34495
14
0.00000
0.37990
-0.08318
15
0.00000
0.37990
0.08318
16
0.00000
-0.01319
-0.00349
17
0.00000
-0.01318
0.00349
18
0.00000
0.00002
0.00000