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
-0.02252
0.00000
0.00000
2
0.00040
-0.04266
0.00000
3
0.00041
0.04266
0.00000
4
-0.00041
-0.04266
0.00000
5
-0.00041
0.04266
0.00000
6
0.02251
0.00000
0.00000
7
-0.01636
-0.08131
0.00000
8
0.00031
-0.10182
0.00000
9
-0.00030
-0.10183
0.00000
10
0.01637
-0.08132
0.00000
11
-0.01636
0.08131
0.00000
12
0.00031
0.10182
0.00000
13
-0.00030
0.10182
0.00000
14
0.01637
0.08132
0.00000
15
-0.02116
0.00000
0.00000
16
-0.01563
0.09269
0.00000
17
0.01731
0.09294
0.00000
18
-0.01730
0.09294
0.00000
19
0.01563
0.09270
0.00000
20
-0.01563
-0.09268
0.00000
21
0.01731
-0.09294
0.00000
22
-0.01730
-0.09294
0.00000
23
0.01564
-0.09270
0.00000
24
0.02116
0.00000
0.00000