Charge: -1
Inchi:1S/C28H14/c1-5-15-13-16-6-3-11-21-22-12-4-8-18-14-17-7-2-10-20-19(9-1)23(15)27(25(16)21)28(24(17)20)26(18)22/h1-14H/q-1
Electronic States
Energy
(eV)
-1073.55865
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)
0.00795 b
(cm-1)
0.00762 c
(cm-1)
0.00389
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
-0.00011
0.00000
0.00000
2
0.00011
0.00000
0.00000
3
-0.00004
0.00034
0.00000
4
0.00004
0.00034
0.00000
5
-0.00004
-0.00034
0.00000
6
0.00004
-0.00034
0.00000
7
-0.00078
0.00072
0.00000
8
0.00078
0.00072
0.00000
9
-0.00078
-0.00072
0.00000
10
0.00078
-0.00072
0.00000
11
-0.00003
0.00031
0.00000
12
0.00003
0.00031
0.00000
13
-0.00003
-0.00031
0.00000
14
0.00003
-0.00031
0.00000
15
0.00003
0.00000
0.00000
16
-0.00003
0.00000
0.00000
17
0.00393
0.00087
0.00000
18
-0.00393
0.00087
0.00000
19
0.00394
-0.00087
0.00000
20
-0.00394
-0.00087
0.00000
21
0.00953
-0.01446
0.00000
22
-0.00953
-0.01446
0.00000
23
0.00954
0.01447
0.00000
24
-0.00954
0.01447
0.00000
25
-0.01816
-0.03338
0.00000
26
0.01816
-0.03338
0.00000
27
-0.01818
0.03341
0.00000
28
0.01818
0.03341
0.00000
29
-0.00103
0.00000
0.00000
30
0.00103
0.00000
0.00000
31
-0.03894
-0.00151
0.00000
32
0.03894
-0.00151
0.00000
33
-0.03898
0.00151
0.00000
34
0.03897
0.00151
0.00000
35
-0.09443
0.16032
0.00000
36
0.09443
0.16032
0.00000
37
-0.09451
-0.16046
0.00000
38
0.09451
-0.16045
0.00000
39
0.20692
0.38461
0.00000
40
-0.20692
0.38461
0.00000
41
0.20709
-0.38493
0.00000
42
-0.20709
-0.38493
0.00000