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Bad Calculated Bond Lengths

List of molecules with calculated bond lengths that differ by more than 0.050 Å from experimental bond lengths.

Calculated at CCSD/cc-pV(D+d)Z

Species Name Bond type Bond Length (Å)
Experimental Calculated Difference
HSSSH trisulfane rHS 1.344 2.081 0.737
HSSSH trisulfane rHS 1.344 2.081 0.737
CaS Calcium sulfide rSCa 2.318 2.384 0.066
3 molecules.