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)
-1.25400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.09895
0.00000
2
0.00000
-0.09895
0.00000
3
-0.05514
-0.03015
0.00000
4
0.05514
-0.03015
0.00000
5
-0.05514
-0.03015
0.00000
6
0.05514
-0.03015
0.00000
7
-0.06844
0.03619
0.00000
8
0.06844
0.03619
0.00000
9
-0.06844
0.03619
0.00000
10
0.06844
0.03619
0.00000
11
-0.00856
0.04081
0.00000
12
0.00856
0.04081
0.00000
13
-0.00856
0.04081
0.00000
14
0.00856
0.04081
0.00000
15
0.00000
-0.25324
0.00000
16
0.00000
-0.25324
0.00000
17
-0.07128
0.09782
0.00000
18
0.07128
0.09782
0.00000
19
-0.07128
0.09782
0.00000
20
0.07128
0.09782
0.00000
21
0.01914
0.05999
0.00000
22
-0.01914
0.05999
0.00000
23
0.01914
0.05999
0.00000
24
-0.01914
0.05999
0.00000