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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
1.41700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.16970
2
0.00000
0.00000
-0.13555
3
-0.02199
0.00000
-0.04601
4
0.02199
0.00000
-0.04601
5
0.04836
0.00000
0.04458
6
-0.04836
0.00000
0.04458
7
0.00498
0.00000
0.04443
8
-0.00498
0.00000
0.04443
9
-0.03970
0.00000
-0.06692
10
0.03970
0.00000
-0.06692
11
0.00527
0.00000
-0.00238
12
-0.00527
0.00000
-0.00238
13
-0.13312
0.00000
0.03642
14
0.13312
0.00000
0.03642
15
0.05547
0.00000
-0.03218
16
-0.05547
0.00000
-0.03218
17
0.04793
0.00000
0.10469
18
-0.04793
0.00000
0.10469
19
0.01059
0.00000
0.00090
20
-0.01059
0.00000
0.00090