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)
-0.35900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00089
2
0.00000
0.00000
0.00111
3
-0.00086
0.00000
0.00043
4
0.00086
0.00000
0.00043
5
0.00433
0.00000
-0.04417
6
-0.00433
0.00000
-0.04417
7
0.01995
0.00000
0.01110
8
-0.01995
0.00000
0.01110
9
-0.02683
0.00000
0.01472
10
0.02683
0.00000
0.01472
11
-0.00112
0.00000
0.00122
12
0.00112
0.00000
0.00122
13
-0.03782
0.00000
0.50577
14
0.03782
0.00000
0.50577
15
-0.22462
0.00000
-0.13357
16
0.22462
0.00000
-0.13357
17
0.31815
0.00000
-0.16771
18
-0.31815
0.00000
-0.16771
19
0.00810
0.00000
-0.01763
20
-0.00810
0.00000
-0.01763