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
-0.10647
0.00000
0.00000
2
-0.00240
-0.05883
0.00000
3
-0.00240
0.05882
0.00000
4
0.00239
-0.05881
0.00000
5
0.00239
0.05881
0.00000
6
0.10644
0.00000
0.00000
7
0.09257
-0.01592
0.00000
8
0.01103
0.03500
0.00000
9
-0.01101
0.03504
0.00000
10
-0.09257
-0.01589
0.00000
11
0.09256
0.01592
0.00000
12
0.01103
-0.03500
0.00000
13
-0.01101
-0.03503
0.00000
14
-0.09256
0.01589
0.00000
15
-0.10605
0.00000
0.00000
16
0.09269
0.01882
0.00000
17
-0.06048
0.00594
0.00000
18
0.06046
0.00589
0.00000
19
-0.09268
0.01881
0.00000
20
0.09270
-0.01881
0.00000
21
-0.06048
-0.00594
0.00000
22
0.06047
-0.00588
0.00000
23
-0.09269
-0.01881
0.00000
24
0.10602
0.00000
0.00000