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
-0.01545
0.00000
0.00000
2
0.01545
0.00000
0.00000
3
-0.03217
0.02002
0.00000
4
0.03217
0.02002
0.00000
5
-0.03217
-0.02002
0.00000
6
0.03217
-0.02002
0.00000
7
-0.01309
0.03100
0.00000
8
0.01309
0.03100
0.00000
9
-0.01309
-0.03100
0.00000
10
0.01309
-0.03100
0.00000
11
-0.05564
0.02713
0.00000
12
0.05564
0.02713
0.00000
13
-0.05563
-0.02713
0.00000
14
0.05563
-0.02713
0.00000
15
-0.05409
0.00000
0.00000
16
0.05409
0.00000
0.00000
17
-0.03799
0.06112
0.00000
18
0.03799
0.06112
0.00000
19
-0.03799
-0.06112
0.00000
20
0.03799
-0.06112
0.00000
21
-0.02046
0.06042
0.00000
22
0.02046
0.06042
0.00000
23
-0.02046
-0.06042
0.00000
24
0.02046
-0.06042
0.00000
25
-0.01480
0.04421
0.00000
26
0.01480
0.04421
0.00000
27
-0.01480
-0.04422
0.00000
28
0.01480
-0.04422
0.00000
29
-0.05586
0.00000
0.00000
30
0.05586
0.00000
0.00000
31
-0.03944
0.08661
0.00000
32
0.03944
0.08661
0.00000
33
-0.03944
-0.08661
0.00000
34
0.03944
-0.08661
0.00000
35
-0.01010
0.06763
0.00000
36
0.01009
0.06763
0.00000
37
-0.01010
-0.06763
0.00000
38
0.01010
-0.06763
0.00000
39
-0.00666
0.04104
0.00000
40
0.00666
0.04104
0.00000
41
-0.00666
-0.04105
0.00000
42
0.00666
-0.04105
0.00000