Charge: 2
Inchi:1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.42730
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.09388 b
(cm-1)
0.02232 c
(cm-1)
0.01803
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.00700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05980
-0.06272
0.00000
2
0.05980
-0.06272
0.00000
3
0.05980
0.06272
0.00000
4
0.05980
0.06272
0.00000
5
-0.04212
-0.01121
0.00000
6
-0.04212
-0.01121
0.00000
7
-0.04212
0.01121
0.00000
8
-0.04212
0.01121
0.00000
9
0.01177
0.03240
0.00000
10
0.01176
0.03240
0.00000
11
0.01176
-0.03240
0.00000
12
0.01176
-0.03240
0.00000
13
-0.34113
-0.00725
0.00000
14
-0.34113
-0.00725
0.00000
15
-0.34113
0.00725
0.00000
16
-0.34113
0.00725
0.00000
17
-0.00946
0.07311
0.00000
18
-0.00946
0.07310
0.00000
19
-0.00946
-0.07310
0.00000
20
-0.00946
-0.07310
0.00000