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)
-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)
0.14500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07478
0.00000
0.00000
2
0.07478
0.00000
0.00000
3
0.02186
0.04182
0.00000
4
0.02186
-0.04182
0.00000
5
0.02186
0.04183
0.00000
6
0.02186
-0.04182
0.00000
7
-0.02340
0.06933
0.00000
8
-0.02340
-0.06933
0.00000
9
-0.02340
0.06933
0.00000
10
-0.02340
-0.06933
0.00000
11
-0.04013
0.08333
0.00000
12
-0.04013
-0.08333
0.00000
13
-0.04013
0.08333
0.00000
14
-0.04013
-0.08333
0.00000
15
0.07609
0.00000
0.00000
16
0.07609
0.00000
0.00000
17
-0.02552
0.02124
0.00000
18
-0.02552
-0.02124
0.00000
19
-0.02552
0.02123
0.00000
20
-0.02552
-0.02123
0.00000
21
0.03839
0.13105
0.00000
22
0.03839
-0.13105
0.00000
23
0.03839
0.13105
0.00000
24
0.03839
-0.13105
0.00000