In-Plane Deformations from NSD Analysis...

The lowest-frequency in-plane modes are illustrated here.

code
basis


code heme basis Dip Dip-s d-ip B2g B1g Eux Euy A1g A2g
1hrc   minimum 0.263   0.029 -0.133 -0.113 0.058 -0.059 -0.05 -0.048

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