12-dehydro-chrysene (C18)
General Molecule Info
Charge: -1
Inchi:1S/C18/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/q-1
Electronic States
Energy
(eV)
-684.190051
Description
T0
Multiplicity
3
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Dipole Moments
mu_x(Debye)
0.292300 mu_y
(Debye)
1.539411 mu_z
(Debye)
0.000481
#
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