Azulene (C10H8)
General Molecule Info
Charge: 2
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-7H,8H2/q+2
Electronic States
Energy
(eV)
-385.121011
Description
S0
Multiplicity
1
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)
0.282726
#
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
Hydrogen(H, 1, 1)
6-31+G*
12
Hydrogen(H, 1, 1)
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*