Charge: 2
Inchi:1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.331714
Description
S0
Multiplicity
1
Is Minimum
no
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Dipole Moments
mu_x(Debye)
0.000000 mu_y
(Debye)
0.000000 mu_z
(Debye)
0.000000
#
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
Hydrogen(H, 1, 1)
6-31+G*
14
Hydrogen(H, 1, 1)
6-31+G*
15
Hydrogen(H, 1, 1)
6-31+G*
16
Hydrogen(H, 1, 1)
6-31+G*
17
Hydrogen(H, 1, 1)
6-31+G*
18
Hydrogen(H, 1, 1)
6-31+G*
19
Hydrogen(H, 1, 1)
6-31+G*
20
Hydrogen(H, 1, 1)
6-31+G*