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
0.00000
-0.00002
0.00000
2
0.00000
0.00002
0.00000
3
-0.00001
0.00025
0.00000
4
-0.00001
-0.00025
0.00000
5
0.00001
0.00025
0.00000
6
0.00001
-0.00025
0.00000
7
-0.00062
0.00087
0.00000
8
-0.00062
-0.00087
0.00000
9
0.00062
0.00087
0.00000
10
0.00062
-0.00087
0.00000
11
-0.00015
0.00060
0.00000
12
-0.00015
-0.00060
0.00000
13
0.00015
0.00060
0.00000
14
0.00015
-0.00060
0.00000
15
0.00000
-0.00003
0.00000
16
0.00000
0.00003
0.00000
17
0.00993
0.00160
0.00000
18
0.00993
-0.00160
0.00000
19
-0.00993
0.00160
0.00000
20
-0.00993
-0.00160
0.00000
21
0.01796
-0.03037
0.00000
22
0.01796
0.03037
0.00000
23
-0.01797
-0.03039
0.00000
24
-0.01797
0.03039
0.00000
25
-0.01180
-0.01940
0.00000
26
-0.01180
0.01940
0.00000
27
0.01181
-0.01941
0.00000
28
0.01181
0.01941
0.00000
29
0.00000
-0.00056
0.00000
30
0.00000
0.00056
0.00000
31
-0.10399
-0.00313
0.00000
32
-0.10399
0.00313
0.00000
33
0.10404
-0.00313
0.00000
34
0.10404
0.00313
0.00000
35
-0.19655
0.33712
0.00000
36
-0.19655
-0.33712
0.00000
37
0.19665
0.33729
0.00000
38
0.19665
-0.33729
0.00000
39
0.11849
0.22044
0.00000
40
0.11849
-0.22044
0.00000
41
-0.11855
0.22056
0.00000
42
-0.11855
-0.22055
0.00000