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)
1.36600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00069
2
0.00000
0.00000
0.00069
3
0.00000
0.00000
-0.00370
4
0.00000
0.00000
-0.00370
5
0.00000
0.00000
-0.00370
6
0.00000
0.00000
-0.00370
7
0.00000
0.00000
0.01378
8
0.00000
0.00000
0.01378
9
0.00000
0.00000
0.01378
10
0.00000
0.00000
0.01378
11
0.00000
0.00000
0.03612
12
0.00000
0.00000
0.03612
13
0.00000
0.00000
0.03612
14
0.00000
0.00000
0.03612
15
0.00000
0.00000
-0.07868
16
0.00000
0.00000
-0.07868
17
0.00000
0.00000
0.00762
18
0.00000
0.00000
0.00762
19
0.00000
0.00000
0.00762
20
0.00000
0.00000
0.00762
21
0.00000
0.00000
-0.00767
22
0.00000
0.00000
-0.00767
23
0.00000
0.00000
-0.00767
24
0.00000
0.00000
-0.00767
25
0.00000
0.00000
-0.04415
26
0.00000
0.00000
-0.04415
27
0.00000
0.00000
-0.04415
28
0.00000
0.00000
-0.04415
29
0.00000
0.00000
0.41094
30
0.00000
0.00000
0.41094
31
0.00000
0.00000
-0.11852
32
0.00000
0.00000
-0.11852
33
0.00000
0.00000
-0.11852
34
0.00000
0.00000
-0.11852
35
0.00000
0.00000
0.11526
36
0.00000
0.00000
0.11526
37
0.00000
0.00000
0.11526
38
0.00000
0.00000
0.11526
39
0.00000
0.00000
0.23846
40
0.00000
0.00000
0.23846
41
0.00000
0.00000
0.23846
42
0.00000
0.00000
0.23846