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CMO-IMF Report

C6H6 D6h

PBE/TZ2P EPR

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
pi
Total
pi
Total π
sigma
Total σ
20-21 π
18-19 σ
17 π
15-16 σ
14 σ
13 σ
12 σ
10-11 σ
8-9 σ
7 σ
core
Core