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)
-1074.10796
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)
0.00789 b
(cm-1)
0.00764 c
(cm-1)
0.00388
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
-0.00006
0.00000
2
0.00000
0.00006
0.00000
3
0.00012
0.00033
0.00000
4
0.00012
-0.00033
0.00000
5
-0.00012
0.00033
0.00000
6
-0.00012
-0.00033
0.00000
7
-0.00112
0.00124
0.00000
8
-0.00112
-0.00124
0.00000
9
0.00112
0.00124
0.00000
10
0.00112
-0.00124
0.00000
11
-0.00009
0.00051
0.00000
12
-0.00009
-0.00051
0.00000
13
0.00009
0.00051
0.00000
14
0.00009
-0.00051
0.00000
15
0.00000
-0.00001
0.00000
16
0.00000
0.00001
0.00000
17
0.01114
0.00149
0.00000
18
0.01114
-0.00149
0.00000
19
-0.01114
0.00149
0.00000
20
-0.01114
-0.00149
0.00000
21
0.01150
-0.02018
0.00000
22
0.01150
0.02018
0.00000
23
-0.01150
-0.02017
0.00000
24
-0.01150
0.02017
0.00000
25
-0.01623
-0.02992
0.00000
26
-0.01623
0.02992
0.00000
27
0.01622
-0.02991
0.00000
28
0.01622
0.02991
0.00000
29
0.00000
-0.00072
0.00000
30
0.00000
0.00072
0.00000
31
-0.11903
-0.00340
0.00000
32
-0.11903
0.00340
0.00000
33
0.11899
-0.00340
0.00000
34
0.11899
0.00340
0.00000
35
-0.12555
0.21940
0.00000
36
-0.12555
-0.21940
0.00000
37
0.12550
0.21932
0.00000
38
0.12550
-0.21932
0.00000
39
0.18117
0.33983
0.00000
40
0.18117
-0.33983
0.00000
41
-0.18110
0.33970
0.00000
42
-0.18110
-0.33970
0.00000