Charge: 0
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
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)
-0.59400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.09337
0.00000
0.00000
2
-0.09337
0.00000
0.00000
3
0.09712
0.00706
0.00000
4
0.09712
-0.00706
0.00000
5
0.09712
0.00706
0.00000
6
0.09712
-0.00706
0.00000
7
-0.04010
0.02481
0.00000
8
-0.04010
-0.02481
0.00000
9
-0.04010
0.02481
0.00000
10
-0.04010
-0.02481
0.00000
11
-0.00298
-0.02451
0.00000
12
-0.00298
0.02451
0.00000
13
-0.00298
-0.02451
0.00000
14
-0.00298
0.02451
0.00000
15
-0.09719
0.00000
0.00000
16
-0.09719
0.00000
0.00000
17
-0.04029
0.20686
0.00000
18
-0.04029
-0.20686
0.00000
19
-0.04029
0.20686
0.00000
20
-0.04029
-0.20686
0.00000
21
0.00132
-0.01958
0.00000
22
0.00132
0.01958
0.00000
23
0.00132
-0.01958
0.00000
24
0.00132
0.01958
0.00000