Charge: 2
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+2
Electronic States
Energy
(eV)
-539.57243
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)
0.07136 b
(cm-1)
0.01501 c
(cm-1)
0.01240
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
0.10636
0.00000
0.00000
2
-0.10636
0.00000
0.00000
3
0.00209
0.05905
0.00000
4
-0.00209
0.05905
0.00000
5
-0.00209
-0.05904
0.00000
6
0.00209
-0.05904
0.00000
7
-0.09252
0.01594
0.00000
8
0.09252
0.01594
0.00000
9
0.09251
-0.01594
0.00000
10
-0.09251
-0.01594
0.00000
11
-0.01026
-0.03498
0.00000
12
0.01026
-0.03498
0.00000
13
0.01026
0.03497
0.00000
14
-0.01026
0.03497
0.00000
15
0.10574
0.00000
0.00000
16
-0.10574
0.00001
0.00000
17
-0.09246
0.01968
0.00000
18
0.09246
0.01967
0.00000
19
0.09245
-0.01968
0.00000
20
-0.09245
-0.01968
0.00000
21
0.06175
0.00647
0.00000
22
-0.06174
0.00647
0.00000
23
-0.06174
-0.00647
0.00000
24
0.06174
-0.00647
0.00000