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)
-539.72189
Description
S0
Multiplicity
1
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)
0.07208 b
(cm-1)
0.01516 c
(cm-1)
0.01252
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)
0.17000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.09122
2
0.00000
0.00000
-0.06709
3
0.00000
0.00000
-0.06709
4
0.00000
0.00000
-0.06709
5
0.00000
0.00000
-0.06709
6
0.00000
0.00000
-0.09122
7
0.00000
0.00000
0.00485
8
0.00000
0.00000
0.09697
9
0.00000
0.00000
0.09697
10
0.00000
0.00000
0.00485
11
0.00000
0.00000
0.00485
12
0.00000
0.00000
0.09697
13
0.00000
0.00000
0.09697
14
0.00000
0.00000
0.00485
15
0.00000
0.00000
-0.08854
16
0.00000
0.00000
0.00425
17
0.00000
0.00000
0.16957
18
0.00000
0.00000
0.16957
19
0.00000
0.00000
0.00425
20
0.00000
0.00000
0.00425
21
0.00000
0.00000
0.16957
22
0.00000
0.00000
0.16957
23
0.00000
0.00000
0.00425
24
0.00000
0.00000
-0.08854