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)
-385.33849
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)
0.00000
Diff mu Z
(Debye)
0.21900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.12711
2
0.00000
-0.10142
0.06573
3
0.00000
0.10141
0.06573
4
0.00000
-0.07516
0.03379
5
0.00000
0.07516
0.03379
6
0.00000
-0.01491
-0.03039
7
0.00000
0.01491
-0.03039
8
0.00000
-0.06993
-0.02475
9
0.00000
0.06993
-0.02475
10
0.00000
0.00000
0.05363
11
0.00000
0.00000
-0.12449
12
0.00000
0.06842
0.10307
13
0.00000
-0.06842
0.10308
14
0.00000
-0.09605
-0.07232
15
0.00000
0.09605
-0.07232
16
0.00000
-0.05104
-0.08587
17
0.00000
0.05104
-0.08588
18
0.00000
0.00000
0.05268