Charge: 2
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+2
Electronic States
Energy
(eV)
-1074.144848
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.010612 b
(cm-1)
0.005790 c
(cm-1)
0.003746
Dipole Moments
mu_x(Debye)
0.000000 mu_y
(Debye)
0.000000 mu_z
(Debye)
-0.030209
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