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)
0.33800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03588
0.00000
0.00000
2
-0.03588
0.00000
0.00000
3
0.02449
-0.02336
0.00000
4
0.02449
0.02336
0.00000
5
0.02449
-0.02336
0.00000
6
0.02449
0.02336
0.00000
7
-0.04944
-0.04016
0.00000
8
-0.04944
0.04016
0.00000
9
-0.04944
-0.04016
0.00000
10
-0.04944
0.04016
0.00000
11
0.02622
0.02144
0.00000
12
0.02622
-0.02144
0.00000
13
0.02622
0.02144
0.00000
14
0.02622
-0.02144
0.00000
15
-0.03534
0.00000
0.00000
16
-0.03534
0.00000
0.00000
17
-0.05211
-0.25053
0.00000
18
-0.05211
0.25053
0.00000
19
-0.05211
-0.25053
0.00000
20
-0.05211
0.25053
0.00000
21
0.26820
0.16356
0.00000
22
0.26820
-0.16356
0.00000
23
0.26820
0.16356
0.00000
24
0.26820
-0.16356
0.00000