Accuracy

Pt6r   7793 Pt6 (Geo)

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    #  Species Formula
  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 tetramerPt4
  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
  7801 Amino gold(I) (Geo)H2NAu
  7802 Dimethyl gold(III) amine (Geo)C2H8NAu
  7803 Dimethyl gold(III) amineC2H8NAu


REF: Density Functional Theory Electronic Structure Program (DMOL), B. Delley, J. Chem. Phys. 113, 7756 (2000).
  
 UHF SYMMETRY KING MS=1 PM7
Pt6
 <Pt-Pt> <Pt-Pt'> GR=DMOL
 
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Pt     2.70800000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Pt     2.70800000 +0   60.0000000 +0    0.0000000 +0     1     2     0
 Pt     2.48500000 +1   60.0000000 +0 -180.0000000 +0     3     1     2
 Pt     2.48500000 +0  119.4256601 +1 -180.0000000 +0     3     1     4
 Pt     2.48500000 +0   58.1809857 +1 -180.0000000 +0     1     2     3
 
   2  1    3
   4  1    5    6