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)
-460.74502
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05226 b
(cm-1)
0.03846 c
(cm-1)
0.02216
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.65729
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.31900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02134
0.00000
0.00000
2
-0.12240
0.00000
0.00000
3
0.01498
0.00000
-0.06571
4
0.01498
0.00000
0.06571
5
0.02557
0.00000
0.00422
6
0.02557
0.00000
-0.00422
7
-0.02123
0.00000
-0.01482
8
-0.02123
0.00000
0.01482
9
0.01426
0.00000
0.04559
10
0.01426
0.00000
-0.04559
11
-0.03269
0.00000
-0.00702
12
-0.03269
0.00000
0.00702
13
0.36642
0.00000
-0.01772
14
0.36641
0.00000
0.01772
15
-0.03261
0.00000
-0.03733
16
-0.03261
0.00000
0.03733
17
-0.03404
0.00000
0.14452
18
-0.03404
0.00000
-0.14452
19
0.29141
0.00000
-0.22290
20
0.29141
0.00000
0.22290