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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.04643
0.00000
2
-0.01798
0.01013
0.00000
3
0.01798
0.01013
0.00000
4
-0.01801
-0.01013
0.00000
5
0.01801
-0.01013
0.00000
6
0.00000
-0.04643
0.00000
7
0.02919
-0.05733
0.00000
8
-0.04441
-0.01838
0.00000
9
-0.04439
0.01837
0.00000
10
0.02919
0.05735
0.00000
11
-0.02919
-0.05733
0.00000
12
0.04441
-0.01838
0.00000
13
0.04439
0.01837
0.00000
14
-0.02919
0.05735
0.00000
15
0.00000
-0.08966
0.00000
16
-0.03337
0.21919
0.00000
17
-0.27375
0.15893
0.00000
18
-0.27374
-0.15893
0.00000
19
-0.03337
-0.21919
0.00000
20
0.03337
0.21918
0.00000
21
0.27373
0.15892
0.00000
22
0.27373
-0.15892
0.00000
23
0.03337
-0.21918
0.00000
24
0.00000
0.08956
0.00000