Accuracy

Pt4   7790 Platinum tetramer

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  7780 Platinum(IV) oxide diiodideOI2Pt
  7781 Platinum(IV) oxide diiodide (Geo)OI2Pt
  7782 Pt(II)I2N2 (CUPCAR) (Geo)C6H6N2O2I2Pt
  7783 Pt(II)I2N2 (CUPCAR)C6H6N2O2I2Pt
  7784 Pt(IV)C2I2O2 (BIFCOI) (Geo)C8H12O2I4Pt
  7785 Pt(IV)C2I2O2 (BIFCOI)C8H12O2I4Pt
  7786 Platinum(I) hydride, dimerH2Pt2
  7787 Pt2(Cp)2(CO)2 (Geo)C12H10O2Pt2
  7788 Pt(II)2Br6(2-) (ETABPT) (Geo)Br6Pt2
  7789 Pt(II)2Br6(2-) (ETABPT)Br6Pt2
  7790 Platinum tetramer Pt4
  7791 Platinum tetramer (Geo)Pt4
  7792 Pt6Pt6
  7793 Pt6 (Geo)Pt6
  7794 Gold, cationAu
  7795 Gold, atomAu
  7796 AuH (Geo)HAu
  7797 Methyl gold(I) (Geo)CH3Au
  7798 Methyl gold(I)CH3Au
  7799 Trimethyl gold(III)C3H9Au
  7800 Amino gold(I)H2NAu


ΔHf: 298.9 kcal/mol,     REF: Density Functional Theory Electronic Structure Program (DMOL), B. Delley, J. Chem. Phys. 113, 7756 (2000).
  
 SYMMETRY UHF FIELD=(0.1,0.2,0.3) TRIPLET RELSCF=50 PM7
Platinum tetramer
 H=298.9 HR=DMOL
 
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Pt     2.78234961 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Pt     2.78234961 +1   60.0000000 +1    0.0000000 +0     2     1     0
 Pt     2.78234961 +1   60.0000000 +1   60.0000000 +1     2     1     3
 
   2  1    3    4