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)
-539.29039
Description
D0
Multiplicity
2
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)
0.07166 b
(cm-1)
0.01501 c
(cm-1)
0.01241
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
0.09394
0.00000
2
0.00000
-0.09394
0.00000
3
-0.01057
-0.03907
0.00000
4
-0.01057
0.03907
0.00000
5
0.01057
0.03907
0.00000
6
0.01057
-0.03907
0.00000
7
-0.02085
-0.06377
0.00000
8
-0.02085
0.06377
0.00000
9
0.02085
0.06377
0.00000
10
0.02085
-0.06377
0.00000
11
0.03692
0.07051
0.00000
12
0.03692
-0.07051
0.00000
13
-0.03692
-0.07051
0.00000
14
-0.03692
0.07051
0.00000
15
0.00000
-0.17098
0.00000
16
0.00000
0.17098
0.00000
17
-0.02651
0.08387
0.00000
18
-0.02651
-0.08387
0.00000
19
0.02651
-0.08387
0.00000
20
0.02651
0.08387
0.00000
21
-0.15413
-0.02954
0.00000
22
-0.15413
0.02954
0.00000
23
0.15413
0.02954
0.00000
24
0.15413
-0.02954
0.00000