Charge: -1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q-1
Electronic States
Energy
(eV)
-767.790234
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.028699 b
(cm-1)
0.008462 c
(cm-1)
0.006535
Dipole Moments
mu_x(Debye)
-0.179560 mu_y
(Debye)
-0.003555 mu_z
(Debye)
0.000000
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
Hydrogen(H, 1, 1)
4-31g
22
Hydrogen(H, 1, 1)
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