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)
-0.95600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04315
0.00000
0.00000
2
-0.04315
0.00000
0.00000
3
0.00032
0.00137
0.00000
4
0.00032
-0.00137
0.00000
5
0.00032
0.00137
0.00000
6
0.00032
-0.00137
0.00000
7
-0.01462
0.00020
0.00000
8
-0.01462
-0.00020
0.00000
9
-0.01462
0.00020
0.00000
10
-0.01462
-0.00020
0.00000
11
0.01095
-0.01894
0.00000
12
0.01095
0.01894
0.00000
13
0.01095
-0.01894
0.00000
14
0.01095
0.01894
0.00000
15
0.50558
0.00000
0.00000
16
0.50558
0.00000
0.00000
17
0.17671
-0.00154
0.00000
18
0.17671
0.00154
0.00000
19
0.17671
-0.00154
0.00000
20
0.17671
0.00154
0.00000
21
-0.13269
0.22818
0.00000
22
-0.13269
-0.22818
0.00000
23
-0.13269
0.22818
0.00000
24
-0.13269
-0.22818
0.00000