Dipole moment for 2e34: L11 STRUCTURE WITH RDC AND RG REFINEMENT

No. of Chains=1Elongated L11 STRUCTURE WITH RDC AND RG REFINEMENT
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 1332. 147. 218.70 19. 14. 5. 552. 2607. 0.0038 0.4142
No.Dev.Units -0.37 -0.52 -0.29 -0.34 -0.71 1.08 0.02 0.04 0.90 0.16
Dipole vector (in atomic units): 95.57 50.44 -38.95
Mass Moments vector: 408.12 283.91 428.14
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