Charge: 1
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+1
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
0.00000
0.08057
2
0.00000
0.00000
-0.08057
3
0.00000
0.00000
-0.08048
4
0.00000
0.00000
0.08048
5
0.00000
0.00000
0.08048
6
0.00000
0.00000
-0.08048
7
0.00000
0.00000
0.05044
8
0.00000
0.00000
-0.05044
9
0.00000
0.00000
-0.05044
10
0.00000
0.00000
0.05044
11
0.00000
0.00000
0.01872
12
0.00000
0.00000
-0.01872
13
0.00000
0.00000
-0.01872
14
0.00000
0.00000
0.01872
15
0.00000
0.00000
-0.26477
16
0.00000
0.00000
0.26477
17
0.00000
0.00000
-0.16340
18
0.00000
0.00000
0.16340
19
0.00000
0.00000
0.16340
20
0.00000
0.00000
-0.16340
21
0.00000
0.00000
-0.18991
22
0.00000
0.00000
0.18991
23
0.00000
0.00000
0.18991
24
0.00000
0.00000
-0.18991