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)
0.15700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.10211
2
0.00000
0.00000
-0.10211
3
0.00000
0.00000
-0.06343
4
0.00000
0.00000
-0.06343
5
0.00000
0.00000
-0.06343
6
0.00000
0.00000
-0.06343
7
0.00000
0.00000
0.00919
8
0.00000
0.00000
0.00919
9
0.00000
0.00000
0.00919
10
0.00000
0.00000
0.00919
11
0.00000
0.00000
0.09487
12
0.00000
0.00000
0.09487
13
0.00000
0.00000
0.09487
14
0.00000
0.00000
0.09487
15
0.00000
0.00000
-0.09640
16
0.00000
0.00000
-0.09640
17
0.00000
0.00000
0.01409
18
0.00000
0.00000
0.01409
19
0.00000
0.00000
0.01409
20
0.00000
0.00000
0.01409
21
0.00000
0.00000
0.15833
22
0.00000
0.00000
0.15833
23
0.00000
0.00000
0.15833
24
0.00000
0.00000
0.15833