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)
-1074.107959
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)
0.007886 b
(cm-1)
0.007638 c
(cm-1)
0.003880
Dipole Moments
mu_x(Debye)
0.000000 mu_y
(Debye)
0.000000 mu_z
(Debye)
0.000000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
#
Atom
Basis Sets
1
Carbon(C, 6, 12)
4-31g
2
Carbon(C, 6, 12)
4-31g
3
Carbon(C, 6, 12)
4-31g
4
Carbon(C, 6, 12)
4-31g
5
Carbon(C, 6, 12)
4-31g
6
Carbon(C, 6, 12)
4-31g
7
Carbon(C, 6, 12)
4-31g
8
Carbon(C, 6, 12)
4-31g
9
Carbon(C, 6, 12)
4-31g
10
Carbon(C, 6, 12)
4-31g
11
Carbon(C, 6, 12)
4-31g
12
Carbon(C, 6, 12)
4-31g
13
Carbon(C, 6, 12)
4-31g
14
Carbon(C, 6, 12)
4-31g
15
Carbon(C, 6, 12)
4-31g
16
Carbon(C, 6, 12)
4-31g
17
Carbon(C, 6, 12)
4-31g
18
Carbon(C, 6, 12)
4-31g
19
Carbon(C, 6, 12)
4-31g
20
Carbon(C, 6, 12)
4-31g
21
Carbon(C, 6, 12)
4-31g
22
Carbon(C, 6, 12)
4-31g
23
Carbon(C, 6, 12)
4-31g
24
Carbon(C, 6, 12)
4-31g
25
Carbon(C, 6, 12)
4-31g
26
Carbon(C, 6, 12)
4-31g
27
Carbon(C, 6, 12)
4-31g
28
Carbon(C, 6, 12)
4-31g
29
Hydrogen(H, 1, 1)
4-31g
30
Hydrogen(H, 1, 1)
4-31g
31
Hydrogen(H, 1, 1)
4-31g
32
Hydrogen(H, 1, 1)
4-31g
33
Hydrogen(H, 1, 1)
4-31g
34
Hydrogen(H, 1, 1)
4-31g
35
Hydrogen(H, 1, 1)
4-31g
36
Hydrogen(H, 1, 1)
4-31g
37
Hydrogen(H, 1, 1)
4-31g
38
Hydrogen(H, 1, 1)
4-31g
39
Hydrogen(H, 1, 1)
4-31g
40
Hydrogen(H, 1, 1)
4-31g
41
Hydrogen(H, 1, 1)
4-31g
42
Hydrogen(H, 1, 1)
4-31g