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)
-385.33849
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09497 b
(cm-1)
0.04175 c
(cm-1)
0.02900
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.45804
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.20300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00067
0.00000
2
0.00000
0.06262
-0.11022
3
0.00000
0.06262
0.11022
4
0.00000
0.03239
0.10032
5
0.00000
0.03239
-0.10032
6
0.00000
0.02128
0.04102
7
0.00000
0.02128
-0.04102
8
0.00000
-0.06256
-0.01510
9
0.00000
-0.06256
0.01510
10
0.00000
-0.08867
0.00000
11
0.00000
-0.12702
0.00000
12
0.00000
0.03587
0.14235
13
0.00000
0.03587
-0.14235
14
0.00000
0.03116
0.08744
15
0.00000
0.03116
-0.08744
16
0.00000
-0.08557
0.05513
17
0.00000
-0.08557
-0.05513
18
0.00000
-0.06767
0.00000