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CMO-IMF Report

Molecule

Sulflower C16S4(BH)4 D4h

Geometry

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

Chemical Shielding

PW91/TZ2P

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
92 π
91 π
89-90 π
87-88 π
86 π
85 σ
84 π
82-83 σ
81 σ
80 σ
79 σ
78 σ
76-77 σ
74-75 σ
73 π
72 σ
70-71 σ
69 σ
67-68 π
66 π
65 σ
64 σ
63 σ
61-62 σ
60 σ
59 σ
57-58 σ
55-56 σ
54 σ
53 σ
52 σ
51 σ
49-50 σ
47-48 σ
46 σ
45 σ
44 σ
42-43 σ
41 σ
core
Core