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)
-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)
-0.56400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01132
0.00000
2
0.00000
0.02027
0.05567
3
0.00000
0.02027
-0.05567
4
0.00000
-0.06070
0.06706
5
0.00000
-0.06070
-0.06706
6
0.00000
0.03578
-0.03903
7
0.00000
0.03578
0.03903
8
0.00000
0.05201
-0.05867
9
0.00000
0.05201
0.05867
10
0.00000
-0.10375
0.00000
11
0.00000
0.11362
0.00000
12
0.00000
0.07930
-0.13231
13
0.00000
0.07930
0.13231
14
0.00000
-0.04287
0.15985
15
0.00000
-0.04287
-0.15985
16
0.00000
0.09725
-0.18697
17
0.00000
0.09725
0.18697
18
0.00000
-0.40848
0.00000