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
0.00022
0.00000
2
0.00000
-0.00022
0.00000
3
-0.00032
-0.00020
0.00000
4
-0.00032
0.00020
0.00000
5
0.00032
-0.00020
0.00000
6
0.00032
0.00020
0.00000
7
0.00058
-0.00062
0.00000
8
0.00058
0.00062
0.00000
9
-0.00058
-0.00062
0.00000
10
-0.00058
0.00062
0.00000
11
-0.00014
0.00096
0.00000
12
-0.00014
-0.00096
0.00000
13
0.00014
0.00096
0.00000
14
0.00014
-0.00096
0.00000
15
0.00000
-0.00011
0.00000
16
0.00000
0.00011
0.00000
17
0.02658
0.00151
0.00000
18
0.02659
-0.00151
0.00000
19
-0.02658
0.00151
0.00000
20
-0.02658
-0.00151
0.00000
21
0.00988
-0.02098
0.00000
22
0.00988
0.02098
0.00000
23
-0.00988
-0.02097
0.00000
24
-0.00988
0.02097
0.00000
25
0.00954
0.02050
0.00000
26
0.00954
-0.02050
0.00000
27
-0.00954
0.02049
0.00000
28
-0.00954
-0.02049
0.00000
29
-0.00001
-0.00190
0.00000
30
-0.00001
0.00190
0.00000
31
-0.29789
-0.00557
0.00000
32
-0.29789
0.00557
0.00000
33
0.29783
-0.00557
0.00000
34
0.29784
0.00557
0.00000
35
-0.12714
0.22764
0.00000
36
-0.12714
-0.22764
0.00000
37
0.12712
0.22760
0.00000
38
0.12712
-0.22760
0.00000
39
-0.12303
-0.23507
0.00000
40
-0.12303
0.23507
0.00000
41
0.12301
-0.23503
0.00000
42
0.12301
0.23503
0.00000