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)
-538.15913
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)
0.07177 b
(cm-1)
0.01497 c
(cm-1)
0.01239
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)
-0.65000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00055
0.00000
0.00000
2
0.00055
0.00000
0.00000
3
-0.00035
0.00063
0.00000
4
-0.00035
-0.00063
0.00000
5
-0.00035
0.00063
0.00000
6
-0.00035
-0.00063
0.00000
7
0.01109
0.00097
0.00000
8
0.01109
-0.00097
0.00000
9
0.01108
0.00097
0.00000
10
0.01108
-0.00097
0.00000
11
0.01889
-0.03577
0.00000
12
0.01889
0.03577
0.00000
13
0.01887
-0.03574
0.00000
14
0.01887
0.03573
0.00000
15
-0.00591
0.00000
0.00000
16
-0.00591
0.00000
0.00000
17
-0.12263
0.00001
0.00000
18
-0.12263
-0.00001
0.00000
19
-0.12252
0.00001
0.00000
20
-0.12252
-0.00001
0.00000
21
-0.23051
0.39891
0.00000
22
-0.23051
-0.39890
0.00000
23
-0.23031
0.39855
0.00000
24
-0.23030
-0.39855
0.00000