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
0.00268
0.00000
0.00000
2
-0.00011
0.00076
0.00000
3
-0.00011
-0.00076
0.00000
4
0.00011
0.00076
0.00000
5
0.00011
-0.00076
0.00000
6
-0.00269
0.00000
0.00000
7
0.01814
0.00177
0.00000
8
0.01900
-0.03386
0.00000
9
-0.01901
-0.03386
0.00000
10
-0.01814
0.00177
0.00000
11
0.01816
-0.00177
0.00000
12
0.01902
0.03388
0.00000
13
-0.01902
0.03388
0.00000
14
-0.01815
-0.00177
0.00000
15
-0.03111
0.00000
0.00000
16
-0.19609
0.00154
0.00000
17
-0.21343
-0.37649
0.00000
18
0.21344
-0.37651
0.00000
19
0.19607
0.00154
0.00000
20
-0.19588
-0.00154
0.00000
21
-0.21330
0.37626
0.00000
22
0.21331
0.37629
0.00000
23
0.19586
-0.00154
0.00000
24
0.03124
0.00000
0.00000