Charge: 1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+1
Electronic States
Energy
(eV)
-460.74533
Description
T0
Multiplicity
3
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05095 b
(cm-1)
0.03935 c
(cm-1)
0.02220
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.10117
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.04000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.09224
0.00000
0.00000
2
0.03600
0.00000
0.00000
3
-0.06969
0.00000
0.04136
4
-0.06969
0.00000
-0.04136
5
-0.02809
0.00000
0.00769
6
-0.02809
0.00000
-0.00769
7
0.03227
0.00000
0.03745
8
0.03227
0.00000
-0.03745
9
0.00897
0.00000
-0.05055
10
0.00897
0.00000
0.05055
11
-0.02940
0.00000
0.09778
12
-0.02940
0.00000
-0.09778
13
0.00108
0.00000
0.00423
14
0.00108
0.00000
-0.00423
15
-0.01488
0.00000
-0.02913
16
-0.01488
0.00000
0.02913
17
-0.07649
0.00000
0.09921
18
-0.07649
0.00000
-0.09921
19
0.35009
0.00000
-0.15962
20
0.35009
0.00000
0.15962