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)
1.58700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00425
2
0.00000
0.00000
0.00425
3
0.00000
0.00000
0.02147
4
0.00000
0.00000
0.02147
5
0.00000
0.00000
0.02147
6
0.00000
0.00000
0.02147
7
0.00000
0.00000
-0.02815
8
0.00000
0.00000
-0.02815
9
0.00000
0.00000
-0.02815
10
0.00000
0.00000
-0.02815
11
0.00000
0.00000
-0.04177
12
0.00000
0.00000
-0.04177
13
0.00000
0.00000
-0.04177
14
0.00000
0.00000
-0.04177
15
0.00000
0.00000
-0.14583
16
0.00000
0.00000
-0.14583
17
0.00000
0.00000
0.25476
18
0.00000
0.00000
0.25476
19
0.00000
0.00000
0.25476
20
0.00000
0.00000
0.25476
21
0.00000
0.00000
0.36976
22
0.00000
0.00000
0.36976
23
0.00000
0.00000
0.36976
24
0.00000
0.00000
0.36976