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)
1.55300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.03276
2
0.00000
0.00000
0.03276
3
0.00000
0.00000
0.01089
4
0.00000
0.00000
0.01089
5
0.00000
0.00000
0.01089
6
0.00000
0.00000
0.01089
7
0.00000
0.00000
-0.02726
8
0.00000
0.00000
-0.02726
9
0.00000
0.00000
-0.02726
10
0.00000
0.00000
-0.02726
11
0.00000
0.00000
-0.03475
12
0.00000
0.00000
-0.03475
13
0.00000
0.00000
-0.03475
14
0.00000
0.00000
-0.03475
15
0.00000
0.00000
-0.31684
16
0.00000
0.00000
-0.31684
17
0.00000
0.00000
0.24589
18
0.00000
0.00000
0.24589
19
0.00000
0.00000
0.24589
20
0.00000
0.00000
0.24589
21
0.00000
0.00000
0.32616
22
0.00000
0.00000
0.32616
23
0.00000
0.00000
0.32616
24
0.00000
0.00000
0.32616