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)
-385.33887
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09476 b
(cm-1)
0.04104 c
(cm-1)
0.02864
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36944
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
1.07700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03275
0.00000
2
0.00000
0.02702
0.04622
3
0.00000
0.02702
-0.04622
4
0.00000
0.03013
0.03853
5
0.00000
0.03013
-0.03853
6
0.00000
-0.06891
0.00333
7
0.00000
-0.06891
-0.00333
8
0.00000
-0.02114
0.06158
9
0.00000
-0.02114
-0.06158
10
0.00000
0.07718
0.00000
11
0.00000
-0.17923
0.00000
12
0.00000
0.12377
-0.16411
13
0.00000
0.12377
0.16411
14
0.00000
0.12118
0.45638
15
0.00000
0.12118
-0.45638
16
0.00000
0.00539
-0.03072
17
0.00000
0.00539
0.03072
18
0.00000
-0.06721
0.00000