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CMO-IMF Report

Molecule

Sulflower C16(BH)8 D8h

Geometry

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

Chemical Shielding

PW91/TZ2P

molecule

Component

Out Iso In plane 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
72 π
70-71 π
69 σ
67-68 σ
65-66 σ
64 σ
62-63 σ
61 σ
59-60 π
57-58 σ
55-56 σ
53-54 σ
52 σ
50-51 π
48-49 σ
47 σ
46 π
44-45 σ
42-43 σ
41 σ
39-40 σ
37-38 σ
36 σ
35 σ
33-34 σ
32 σ
30-31 σ
28-29 σ
26-27 σ
25 σ
core
Core