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
0.00000
0.00000
2
0.00000
0.00000
0.00000
3
0.00000
0.00000
0.08509
4
0.00000
0.00000
0.08509
5
0.00000
0.00000
-0.08509
6
0.00000
0.00000
-0.08509
7
0.00000
0.00000
0.07786
8
0.00000
0.00000
0.07786
9
0.00000
0.00000
-0.07786
10
0.00000
0.00000
-0.07786
11
0.00000
0.00000
-0.06841
12
0.00000
0.00000
-0.06841
13
0.00000
0.00000
0.06841
14
0.00000
0.00000
0.06841
15
0.00000
0.00000
0.00000
16
0.00000
0.00000
0.00000
17
0.00000
0.00000
0.08391
18
0.00000
0.00000
0.08391
19
0.00000
0.00000
-0.08391
20
0.00000
0.00000
-0.08391
21
0.00000
0.00000
-0.16400
22
0.00000
0.00000
-0.16400
23
0.00000
0.00000
0.16400
24
0.00000
0.00000
0.16400