Dipole moment for 5yl4: CRYSTAL STRUCTURE OF T2R-TTL-8WR COMPLEX

show separated chains No. of Chains=6Prolate CRYSTAL STRUCTURE OF T2R-TTL-8WR COMPLEX
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value17109.2151.2459.35209.279.-70. 5574. 116345.-0.0041 0.3258
No.Dev.Units 13.07 12.91 14.59 11.00 12.73 -8.71 12.04 34.11 -0.47 -0.15
Dipole vector (in atomic units): 796.89 -470.33 700.49
Mass Moments vector: 1852.58 4219.99 5761.55
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