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)
0.00000
Diff mu Z
(Debye)
0.62500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02386
2
0.00000
-0.03916
-0.01393
3
0.00000
0.03916
-0.01393
4
0.00000
-0.00743
-0.06039
5
0.00000
0.00743
-0.06039
6
0.00000
-0.08114
0.00585
7
0.00000
0.08114
0.00585
8
0.00000
-0.04393
0.05707
9
0.00000
0.04393
0.05707
10
0.00000
0.00000
-0.05772
11
0.00000
0.00000
0.02968
12
0.00000
-0.11981
0.19155
13
0.00000
0.11981
0.19155
14
0.00000
0.08890
0.39184
15
0.00000
-0.08890
0.39184
16
0.00000
0.04014
-0.22485
17
0.00000
-0.04014
-0.22485
18
0.00000
0.00000
-0.07202