Charge: 1
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+1
Electronic States
Energy
(eV)
-462.45186
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04727 b
(cm-1)
0.03942 c
(cm-1)
0.02167
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.01975
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.48800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07346
0.00000
0.00000
2
0.03641
0.00000
0.00000
3
-0.01914
0.00000
-0.04928
4
-0.01914
0.00000
0.04928
5
-0.02389
0.00000
0.00032
6
-0.02389
0.00000
-0.00032
7
0.01078
0.00000
-0.03334
8
0.01078
0.00000
0.03334
9
-0.00337
0.00000
0.03266
10
-0.00337
0.00000
-0.03266
11
-0.05643
0.00000
-0.09806
12
-0.05643
0.00000
0.09806
13
0.00980
0.00000
0.00375
14
0.00980
0.00000
-0.00375
15
-0.06914
0.00000
0.09246
16
-0.06914
0.00000
-0.09246
17
-0.02216
0.00000
0.00203
18
-0.02216
0.00000
-0.00203
19
0.26169
0.03249
0.20392
20
0.26169
-0.03249
0.20392
21
0.26169
-0.03249
-0.20392
22
0.26169
0.03249
-0.20392