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
0.00013
0.00000
0.00000
2
-0.00013
0.00000
0.00000
3
-0.00050
0.00006
0.00000
4
0.00050
0.00006
0.00000
5
-0.00050
-0.00006
0.00000
6
0.00050
-0.00006
0.00000
7
0.00010
-0.00022
0.00000
8
-0.00010
-0.00022
0.00000
9
0.00010
0.00022
0.00000
10
-0.00010
0.00022
0.00000
11
-0.00010
-0.00024
0.00000
12
0.00010
-0.00024
0.00000
13
-0.00010
0.00024
0.00000
14
0.00010
0.00024
0.00000
15
0.02573
0.00000
0.00000
16
-0.02573
0.00000
0.00000
17
0.02647
-0.00007
0.00000
18
-0.02647
-0.00007
0.00000
19
0.02647
0.00007
0.00000
20
-0.02647
0.00007
0.00000
21
-0.01255
0.02105
0.00000
22
0.01255
0.02105
0.00000
23
-0.01255
-0.02105
0.00000
24
0.01255
-0.02105
0.00000
25
-0.00161
-0.00382
0.00000
26
0.00161
-0.00382
0.00000
27
-0.00161
0.00382
0.00000
28
0.00161
0.00382
0.00000
29
-0.29776
0.00000
0.00000
30
0.29775
0.00000
0.00000
31
-0.31192
-0.00347
0.00000
32
0.31192
-0.00347
0.00000
33
-0.31194
0.00348
0.00000
34
0.31193
0.00347
0.00000
35
0.14402
-0.25133
0.00000
36
-0.14402
-0.25132
0.00000
37
0.14402
0.25133
0.00000
38
-0.14402
0.25133
0.00000
39
0.02473
0.04748
0.00000
40
-0.02473
0.04748
0.00000
41
0.02473
-0.04749
0.00000
42
-0.02473
-0.04748
0.00000