Charge: 1
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-7H,8H2/q+1
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)
0.51700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01499
2
0.00000
0.06789
-0.06187
3
0.00000
-0.06789
-0.06186
4
0.00000
-0.10620
-0.04938
5
0.00000
0.10620
-0.04939
6
0.00000
-0.02809
-0.03351
7
0.00000
0.02809
-0.03351
8
0.00000
-0.01998
0.07995
9
0.00000
0.01998
0.07994
10
0.00000
0.00000
0.11563
11
0.00000
0.00000
0.01316
12
0.00000
-0.01737
-0.12917
13
0.00000
0.01737
-0.12917
14
0.00000
-0.10802
-0.04132
15
0.00000
0.10801
-0.04132
16
0.00000
-0.02318
0.09760
17
0.00000
0.02318
0.09760
18
0.00000
0.00000
0.12071