Charge: 1
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-8H,4H2/q+1
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)
0.00000
Diff mu Z
(Debye)
0.16600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01757
2
0.00000
-0.05482
0.06717
3
0.00000
0.05482
0.06718
4
0.00000
0.11455
0.04385
5
0.00000
-0.11455
0.04385
6
0.00000
0.06474
-0.00293
7
0.00000
-0.06475
-0.00293
8
0.00000
0.00545
-0.07283
9
0.00000
-0.00545
-0.07283
10
0.00000
0.00000
-0.09383
11
0.00000
0.00000
0.01984
12
0.00000
0.00854
0.12767
13
0.00000
-0.00854
0.12767
14
0.00000
0.12434
0.07478
15
0.00000
-0.12434
0.07478
16
0.00000
0.02182
-0.13040
17
0.00000
-0.02182
-0.13040
18
0.00000
0.00000
-0.09573