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)
-385.86921
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09470 b
(cm-1)
0.04162 c
(cm-1)
0.02891
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.41127
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.30800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.14531
0.00001
2
0.00000
-0.07646
-0.01127
3
0.00000
-0.07645
0.01123
4
0.00000
0.04445
0.08065
5
0.00000
0.04444
-0.08059
6
0.00000
-0.03241
-0.09669
7
0.00000
-0.03238
0.09665
8
0.00000
-0.00947
-0.02056
9
0.00000
-0.00947
0.02057
10
0.00000
0.03218
0.00000
11
0.00000
-0.19605
0.00001
12
0.00000
-0.01384
-0.07535
13
0.00000
-0.01382
0.07536
14
0.00000
-0.00904
-0.18411
15
0.00000
-0.00903
0.18406
16
0.00000
-0.03542
0.03467
17
0.00000
-0.03544
-0.03469
18
0.00000
-0.04129
0.00000