home

CMO-IMF Report

Radialene-thiadiazole

PW91/TZ2P

Component

zz xx yy Iso In plane Aniso Vectors out

Plane

xy xz yz

Orbitals

All Pi Sigma

Size

Big Medium Small Menu

Color Scale (ppm)

-15
+15
color scale
total
Total
pi
Total π
sigma
Total σ
62-63 π
61 σ
59-60 σ
58 π
57 σ
56 π
54-55 σ
52-53 π
50-51 σ
49 σ
47-48 π
45-46 σ
44 π
43 σ
42 σ
40-41 σ
38-39 σ
37 σ
35-36 σ
34 σ
33 σ
31-32 σ
29-30 σ
28 σ
core
Core