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)
-539.57243
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)
0.07136 b
(cm-1)
0.01501 c
(cm-1)
0.01240
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
0.00001
0.01442
0.00000
2
0.00001
-0.01442
0.00000
3
-0.07482
-0.01329
0.00000
4
-0.07482
0.01328
0.00000
5
0.07480
0.01330
0.00000
6
0.07480
-0.01329
0.00000
7
0.02381
-0.01743
0.00000
8
0.02382
0.01743
0.00000
9
-0.02381
0.01743
0.00000
10
-0.02381
-0.01743
0.00000
11
0.00225
0.01364
0.00000
12
0.00225
-0.01364
0.00000
13
-0.00225
-0.01364
0.00000
14
-0.00225
0.01364
0.00000
15
0.00001
0.50908
0.00000
16
0.00000
-0.50908
0.00000
17
0.02300
-0.18093
0.00000
18
0.02301
0.18095
0.00000
19
-0.02299
0.18084
0.00000
20
-0.02300
-0.18087
0.00000
21
0.03832
0.03364
0.00000
22
0.03831
-0.03363
0.00000
23
-0.03834
-0.03365
0.00000
24
-0.03833
0.03364
0.00000