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)
-385.85306
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)
0.09100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.07682
0.00000
2
0.00000
-0.04665
0.01553
3
0.00000
-0.04665
-0.01553
4
0.00000
0.01718
0.03636
5
0.00000
0.01718
-0.03636
6
0.00000
-0.04205
0.10191
7
0.00000
-0.04205
-0.10191
8
0.00000
0.02560
0.02510
9
0.00000
0.02560
-0.02510
10
0.00000
0.02807
0.00000
11
0.00000
0.47469
0.00000
12
0.00000
-0.10376
0.05047
13
0.00000
-0.10376
-0.05046
14
0.00000
0.01728
0.05457
15
0.00000
0.01728
-0.05457
16
0.00000
-0.02672
0.19173
17
0.00000
-0.02672
-0.19173
18
0.00000
-0.40377
0.00000