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)
-0.12800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00001
0.00000
0.00000
2
0.00001
0.00000
0.00000
3
-0.00001
0.00026
0.00000
4
-0.00001
-0.00026
0.00000
5
-0.00001
-0.00026
0.00000
6
-0.00001
0.00026
0.00000
7
-0.00063
0.00087
0.00000
8
-0.00063
-0.00087
0.00000
9
-0.00063
-0.00087
0.00000
10
-0.00063
0.00087
0.00000
11
-0.00018
0.00067
0.00000
12
-0.00018
-0.00067
0.00000
13
-0.00018
-0.00067
0.00000
14
-0.00018
0.00067
0.00000
15
0.00037
0.00000
0.00000
16
0.00037
0.00000
0.00000
17
0.01002
0.00157
0.00000
18
0.01002
-0.00157
0.00000
19
0.01001
-0.00157
0.00000
20
0.01001
0.00157
0.00000
21
0.01800
-0.03040
0.00000
22
0.01800
0.03040
0.00000
23
0.01799
0.03039
0.00000
24
0.01799
-0.03039
0.00000
25
-0.01179
-0.01934
0.00000
26
-0.01179
0.01934
0.00000
27
-0.01178
0.01933
0.00000
28
-0.01178
-0.01933
0.00000
29
-0.00435
0.00000
0.00000
30
-0.00435
0.00000
0.00000
31
-0.10479
-0.00315
0.00000
32
-0.10479
0.00315
0.00000
33
-0.10474
0.00315
0.00000
34
-0.10474
-0.00315
0.00000
35
-0.19680
0.33759
0.00000
36
-0.19680
-0.33759
0.00000
37
-0.19670
-0.33742
0.00000
38
-0.19670
0.33742
0.00000
39
0.11814
0.21980
0.00000
40
0.11814
-0.21980
0.00000
41
0.11808
-0.21969
0.00000
42
0.11808
0.21969
0.00000