home

CMO-IMF Report

Molecule

Sulflower C16S8 D8h

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
111-112 π
109-110 π
108 π
107 π
105-106 π
104 π
102-103 π
100-101 σ
98-99 σ
97 σ
96 σ
94-95 π
92-93 σ
91 σ
89-90 σ
87-88 π
85-86 σ
83-84 σ
82 π
81 σ
80 σ
78-79 σ
76-77 σ
74-75 σ
73 σ
71-72 σ
70 σ
68-69 σ
66-67 σ
65 σ
64 σ
62-63 σ
60-61 σ
58-59 σ
57 σ
core
Core