PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

Pt6   7793 Pt6

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  7783 Pt(II)I2N2 (CUPCAR) (Geo)C6H6N2O2I2Pt
  7784 Pt(II)I2N2 (CUPCAR)C6H6N2O2I2Pt
  7785 Pt(IV)C2I2O2 (BIFCOI) (Geo)C8H12O2I4Pt
  7786 Pt(IV)C2I2O2 (BIFCOI)C8H12O2I4Pt
  7787 Platinum(I) hydride, dimerH2Pt2
  7788 Pt2(Cp)2(CO)2 (Geo)C12H10O2Pt2
  7789 Pt(II)2Br6(2-) (ETABPT) (Geo)Br6Pt2
  7790 Pt(II)2Br6(2-) (ETABPT)Br6Pt2
  7791 Platinum tetramerPt4
  7792 Platinum tetramer (Geo)Pt4
  7793 Pt6 Pt6
  7794 Pt6 (Geo)Pt6
  7795 Gold, cationAu
  7796 Gold, atomAu
  7797 AuH (Geo)HAu
  7798 Methyl gold(I) (Geo)CH3Au
  7799 Methyl gold(I)CH3Au
  7800 Trimethyl gold(III)C3H9Au
  7801 Amino gold(I)H2NAu
  7802 Amino gold(I) (Geo)H2NAu
  7803 Dimethyl gold(III) amine (Geo)C2H8NAu


ΔHf: 393.6 kcal/mol,     REF: Density Functional Theory Electronic Structure Program (DMOL), B. Delley, J. Chem. Phys. 113, 7756 (2000).
  
 UHF SYMMETRY KING MS=1 PM7
Pt6
 H=393.6 HR=DMOL NOSCALE
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Pt     2.77620761 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Pt     2.77620761 +0   60.0000000 +0    0.0000000 +0     1     2     0
 Pt     2.54223823 +1   60.0000000 +0 -180.0000000 +0     3     1     2
 Pt     2.54223823 +0  115.9954025 +1 -180.0000000 +0     3     1     4
 Pt     2.54223823 +0   56.0399999 +1 -180.0000000 +0     1     2     3