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CMO-IMF Report

Molecule

CB18 C2v

Geometry

B3LYP/6-311++G(d,p)

Chemical Shielding

PW91/TZ2P

molecule

Component

Out Iso In plane Aniso Vectors out

Plane

xy xz yz

Orbitals

All Pi Sigma

Size

Big Medium Small

Color Scale (ppm)

-15
+15
color scale
pi
Total π
sigma
Total σ
HOMO
48 π
47 π
46 σ
45 π
44 σ
43 σ
42 σ
41 π
40 σ
39 σ
38 π
37 σ
36 σ
35 σ
34 π
33 σ
32 σ
31 σ
30 σ
29 σ
28 σ
27 σ
26 σ
25 σ
24 σ
23 σ
22 σ
21 σ
20 σ
core
Core