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IV.D.3.a. (XVIII.A.3.)

Species with point groups that differ from experiment at QCISD/STO-3G

  Point group
Species Name Experimental Calculated
HCNO fulminic acid C∞v Cs
CaF2 Calcium difluoride C2v D∞h
C(NH2)H2CH2CH2CH3 1-Butanamine C1 Cs
C4H6O Furan, 2,5-dihydro- C2v Cs
SF4 Sulfur tetrafluoride C2v C4v