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CMO-IMF Report

Molecule

Sulflower C16S5(BH)3 C2v 1-2-3

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