Charge: 2
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+2
Electronic States
Energy
(eV)
-539.56791
Description
D0
Multiplicity
2
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)
0.07196 b
(cm-1)
0.01474 c
(cm-1)
0.01223
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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.12725
0.00000
2
0.00000
-0.12725
0.00000
3
-0.01016
-0.09474
0.00000
4
-0.01016
0.09474
0.00000
5
0.01016
0.09474
0.00000
6
0.01016
-0.09474
0.00000
7
-0.00088
0.02602
0.00000
8
-0.00088
-0.02602
0.00000
9
0.00088
-0.02602
0.00000
10
0.00088
0.02602
0.00000
11
0.00089
0.00387
0.00000
12
0.00089
-0.00387
0.00000
13
-0.00089
-0.00387
0.00000
14
-0.00089
0.00387
0.00000
15
0.00000
-0.24407
0.00000
16
0.00000
0.24407
0.00000
17
-0.00247
-0.07211
0.00000
18
-0.00247
0.07211
0.00000
19
0.00247
0.07211
0.00000
20
0.00247
-0.07211
0.00000
21
-0.01734
-0.00177
0.00000
22
-0.01734
0.00177
0.00000
23
0.01734
0.00177
0.00000
24
0.01734
-0.00177
0.00000