Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/q+1
Electronic States
Energy
(eV)
-844.317978
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Vibration Analisys
Harmonic:
link
Anharmonic:
None
#
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
19
Carbon(C, 6, 12)
4-31g
20
Carbon(C, 6, 12)
4-31g
21
Carbon(C, 6, 12)
4-31g
22
Carbon(C, 6, 12)
4-31g
23
Hydrogen(H, 1, 1)
4-31g
24
Hydrogen(H, 1, 1)
4-31g
25
Hydrogen(H, 1, 1)
4-31g
26
Hydrogen(H, 1, 1)
4-31g
27
Hydrogen(H, 1, 1)
4-31g
28
Hydrogen(H, 1, 1)
4-31g
29
Hydrogen(H, 1, 1)
4-31g
30
Hydrogen(H, 1, 1)
4-31g
31
Hydrogen(H, 1, 1)
4-31g
32
Hydrogen(H, 1, 1)
4-31g
33
Hydrogen(H, 1, 1)
4-31g
34
Hydrogen(H, 1, 1)
4-31g