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)
-0.90700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.03964
2
0.00000
0.00000
0.03964
3
0.00000
0.00000
-0.02936
4
0.00000
0.00000
-0.02936
5
0.00000
0.00000
-0.02936
6
0.00000
0.00000
-0.02936
7
0.00000
0.00000
0.06254
8
0.00000
0.00000
0.06254
9
0.00000
0.00000
0.06254
10
0.00000
0.00000
0.06254
11
0.00000
0.00000
-0.03365
12
0.00000
0.00000
-0.03365
13
0.00000
0.00000
-0.03365
14
0.00000
0.00000
-0.03365
15
0.00000
0.00000
-0.15513
16
0.00000
0.00000
-0.15513
17
0.00000
0.00000
-0.34538
18
0.00000
0.00000
-0.34538
19
0.00000
0.00000
-0.34538
20
0.00000
0.00000
-0.34538
21
0.00000
0.00000
0.19253
22
0.00000
0.00000
0.19253
23
0.00000
0.00000
0.19253
24
0.00000
0.00000
0.19253