Charge: 2
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-8H,4H2/q+2
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)
-0.02200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05386
0.00000
2
0.00000
-0.00179
0.02719
3
0.00000
-0.00179
-0.02719
4
0.00000
0.02419
0.07459
5
0.00000
0.02419
-0.07459
6
0.00000
-0.02302
0.04801
7
0.00000
-0.02303
-0.04801
8
0.00000
0.02673
0.08656
9
0.00000
0.02673
-0.08656
10
0.00000
-0.07397
0.00000
11
0.00000
0.06919
0.00000
12
0.00000
0.14510
-0.20861
13
0.00000
0.14510
0.20860
14
0.00000
-0.04014
-0.22918
15
0.00000
-0.04013
0.22916
16
0.00000
0.12380
-0.16288
17
0.00000
0.12380
0.16287
18
0.00000
0.37360
0.00000