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)
-539.29039
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)
0.07166 b
(cm-1)
0.01501 c
(cm-1)
0.01241
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
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)
1.57000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01467
2
0.00000
0.00000
0.01467
3
0.00000
0.00000
0.01956
4
0.00000
0.00000
0.01956
5
0.00000
0.00000
0.01956
6
0.00000
0.00000
0.01956
7
0.00000
0.00000
-0.03510
8
0.00000
0.00000
-0.03510
9
0.00000
0.00000
-0.03510
10
0.00000
0.00000
-0.03510
11
0.00000
0.00000
-0.03644
12
0.00000
0.00000
-0.03644
13
0.00000
0.00000
-0.03644
14
0.00000
0.00000
-0.03644
15
0.00000
0.00000
-0.17686
16
0.00000
0.00000
-0.17686
17
0.00000
0.00000
0.26600
18
0.00000
0.00000
0.26600
19
0.00000
0.00000
0.26600
20
0.00000
0.00000
0.26600
21
0.00000
0.00000
0.35403
22
0.00000
0.00000
0.35403
23
0.00000
0.00000
0.35403
24
0.00000
0.00000
0.35403