Charge: 2
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+2
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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.09728
0.00000
2
0.00000
0.09728
0.00000
3
0.00756
0.04025
0.00000
4
0.00756
-0.04025
0.00000
5
-0.00756
-0.04025
0.00000
6
-0.00756
0.04025
0.00000
7
0.01529
0.05477
0.00000
8
0.01529
-0.05477
0.00000
9
-0.01529
-0.05477
0.00000
10
-0.01529
0.05477
0.00000
11
-0.03296
-0.06400
0.00000
12
-0.03296
0.06400
0.00000
13
0.03297
0.06400
0.00000
14
0.03297
-0.06401
0.00000
15
0.00000
0.23005
0.00000
16
0.00000
-0.23005
0.00000
17
0.01756
-0.10074
0.00000
18
0.01756
0.10074
0.00000
19
-0.01756
0.10074
0.00000
20
-0.01756
-0.10074
0.00000
21
0.17863
0.05199
0.00000
22
0.17863
-0.05199
0.00000
23
-0.17864
-0.05200
0.00000
24
-0.17864
0.05200
0.00000