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)
0.21300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01890
0.00000
2
0.00000
0.06358
-0.12419
3
0.00000
0.06358
0.12419
4
0.00000
0.01722
0.09290
5
0.00000
0.01722
-0.09290
6
0.00000
0.01616
0.04768
7
0.00000
0.01616
-0.04768
8
0.00000
-0.05763
-0.01328
9
0.00000
-0.05763
0.01328
10
0.00000
-0.08036
0.00000
11
0.00000
-0.12129
0.00000
12
0.00000
0.04873
0.14408
13
0.00000
0.04873
-0.14408
14
0.00000
0.01492
0.07472
15
0.00000
0.01492
-0.07472
16
0.00000
-0.07575
0.04310
17
0.00000
-0.07575
-0.04310
18
0.00000
-0.05923
0.00000