Charge: 1
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+1
Electronic States
Energy
(eV)
-462.679052
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Dipole Moments
mu_x(Debye)
0.000000 mu_y
(Debye)
0.000000 mu_z
(Debye)
0.826711
#
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
Hydrogen(H, 1, 1)
4-31g
14
Hydrogen(H, 1, 1)
4-31g
15
Hydrogen(H, 1, 1)
4-31g
16
Hydrogen(H, 1, 1)
4-31g
17
Hydrogen(H, 1, 1)
4-31g
18
Hydrogen(H, 1, 1)
4-31g
19
Hydrogen(H, 1, 1)
4-31g
20
Hydrogen(H, 1, 1)
4-31g
21
Hydrogen(H, 1, 1)
4-31g
22
Hydrogen(H, 1, 1)
4-31g