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)
-538.15913
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)
0.07177 b
(cm-1)
0.01497 c
(cm-1)
0.01239
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)
0.44600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05666
2
0.00000
0.00000
-0.05666
3
0.00000
0.00000
0.03402
4
0.00000
0.00000
0.03402
5
0.00000
0.00000
0.03402
6
0.00000
0.00000
0.03402
7
0.00000
0.00000
-0.06287
8
0.00000
0.00000
-0.06287
9
0.00000
0.00000
-0.06287
10
0.00000
0.00000
-0.06287
11
0.00000
0.00000
0.03663
12
0.00000
0.00000
0.03663
13
0.00000
0.00000
0.03663
14
0.00000
0.00000
0.03663
15
0.00000
0.00000
0.25886
16
0.00000
0.00000
0.25886
17
0.00000
0.00000
0.29423
18
0.00000
0.00000
0.29423
19
0.00000
0.00000
0.29423
20
0.00000
0.00000
0.29423
21
0.00000
0.00000
-0.17903
22
0.00000
0.00000
-0.17903
23
0.00000
0.00000
-0.17903
24
0.00000
0.00000
-0.17903