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CMO-IMF Report

1-2-5-thiadiazole CH2N2S

PW91/TZ2P

Component

zz xx yy Iso In plane Aniso Vectors out

Plane

xy xz yz

Orbitals

All Pi Sigma

Size

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Color Scale (ppm)

-15
+15
color scale
total
Total
pi
Total π
sigma
Total σ
22 σ
21 π
20 π
19 σ
18 σ
17 π
16 σ
15 σ
14 σ
13 σ
12 σ
11 σ
10 σ
core
Core