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)
-0.10600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00003
0.00000
0.00000
2
-0.00003
0.00000
0.00000
3
-0.01440
0.06762
0.00000
4
-0.01440
-0.06762
0.00000
5
-0.01440
0.06762
0.00000
6
-0.01440
-0.06762
0.00000
7
0.03803
-0.01615
0.00000
8
0.03803
0.01615
0.00000
9
0.03803
-0.01615
0.00000
10
0.03803
0.01615
0.00000
11
-0.05028
-0.05838
0.00000
12
-0.05028
0.05838
0.00000
13
-0.05028
-0.05838
0.00000
14
-0.05028
0.05838
0.00000
15
-0.00431
0.00000
0.00000
16
-0.00431
0.00000
0.00000
17
0.04680
0.09079
0.00000
18
0.04680
-0.09079
0.00000
19
0.04680
0.09079
0.00000
20
0.04680
-0.09079
0.00000
21
0.27288
0.12342
0.00000
22
0.27288
-0.12342
0.00000
23
0.27288
0.12342
0.00000
24
0.27288
-0.12342
0.00000