10-dehydro-anthracene (C14)
General Molecule Info
Charge: 0
Inchi:1S/C14/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1
Electronic States
Energy
(eV)
-532.780855
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Dipole Moments
mu_x(Debye)
-0.001024 mu_y
(Debye)
-0.000024 mu_z
(Debye)
0.000519
#
Atom
Basis Sets
1
Carbon(C, 6, 12)
6-31+G*
2
Carbon(C, 6, 12)
6-31+G*
3
Carbon(C, 6, 12)
6-31+G*
4
Carbon(C, 6, 12)
6-31+G*
5
Carbon(C, 6, 12)
6-31+G*
6
Carbon(C, 6, 12)
6-31+G*
7
Carbon(C, 6, 12)
6-31+G*
8
Carbon(C, 6, 12)
6-31+G*
9
Carbon(C, 6, 12)
6-31+G*
10
Carbon(C, 6, 12)
6-31+G*
11
Carbon(C, 6, 12)
6-31+G*
12
Carbon(C, 6, 12)
6-31+G*
13
Carbon(C, 6, 12)
6-31+G*
14
Carbon(C, 6, 12)
6-31+G*