Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.09500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06913
0.00000
0.00000
2
0.03918
0.00000
0.00000
3
-0.08253
0.00000
-0.01414
4
-0.08253
0.00000
0.01414
5
-0.07234
0.00000
-0.02656
6
-0.07234
0.00000
0.02656
7
0.04373
0.00000
-0.06106
8
0.04373
0.00000
0.06106
9
0.03976
0.00000
0.06216
10
0.03976
0.00000
-0.06216
11
-0.01104
0.00000
-0.06791
12
-0.01104
0.00000
0.06791
13
0.22890
0.00000
-0.00670
14
0.22890
0.00000
0.00670
15
-0.03697
0.00000
0.06758
16
-0.03697
0.00000
-0.06758
17
-0.05114
0.00000
-0.11005
18
-0.05114
0.00000
0.11005
19
0.19569
0.00000
0.06775
20
0.19569
0.00000
-0.06775