Accuracy

Pt(II)N2O2 (CAGDUJ)   7674 Pt(II)N2O2 (CAGDUJ)

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

    

    #  Species Formula
  7664 Pt(II)(NH3)4 (Geo)H12N4Pt
  7665 Pt(II)N4(2+) (APTCPT) (Geo)H12N4Pt
  7666 Pt(II)N4(2+) (APTCPT)H12N4Pt
  7667 Pt(II)(NH3)6H18N6Pt
  7668 Pt(II)(NH3)6 (Geo)H18N6Pt
  7669 Pt(II)N4(2+) (ACMPTC) (Geo)C4H22N6Pt
  7670 Pt(II)N4(2+) (ACMPTC)C4H22N6Pt
  7671 Pt(CO)4 (Geo)C4O4Pt
  7672 Pt(NH3)2(malonate) (Geo)C3H8N2O4Pt
  7673 Pt(II)N2O2 (CAGDUJ) (Geo)C5H6N2O4Pt
  7674 Pt(II)N2O2 (CAGDUJ) C5H6N2O4Pt
  7675 Pt(CH2(COO)2)(NH2C2H4NH2)C5H10N2O4Pt
  7676 Pt((COO)2CHEt)(NH3)2C5H12N2O4Pt
  7677 Cis-Pt(1,1-cbda)(NH3)2C6H12N2O4Pt
  7678 Pt(IV)N2O2C2 (BAVHIP) (Geo)C6H14N2O4Pt
  7679 Pt(IV)N2O2C2 (BAVHIP)C6H14N2O4Pt
  7680 Cis-Pt(1,1-cbda)(NH2Me)2 (34)C8H16N2O4Pt
  7681 Cis-Pt(1,2-cbda)(NH2Me)2C8H16N2O4Pt
  7682 Cis-Pt(1,1-cbda)(NH2Et)2C10H20N2O4Pt
  7683 Cis-Pt(1,1-cbda)(NH2-i-Pr)2C12H24N2O4Pt
  7684 Pt((COO)2CH(OH))(NH3)2C3H8N2O5Pt


ΔHf: -104.3 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 UHF PM7
Pt(II)N2O2 (CAGDUJ)
 H=-104.3 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.94734149 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.19663590 +1  155.4326794 +1    0.0000000 +0     2     1     0
  N     1.89294528 +1   99.0763511 +1  133.4020537 +1     1     2     3
  C     1.20139959 +1   31.2847202 +1   13.4457289 +1     3     2     1
  C     1.51259709 +1  123.6027702 +1 -178.6488728 +1     5     3     2
  C     1.35501690 +1  117.0317985 +1  155.7299920 +1     4     1     2
  H     1.00755499 +1  124.5657031 +1 -174.3283079 +1     4     1     7
  H     1.10789817 +1  110.4219962 +1  101.4707877 +1     6     5     3
  H     1.11668518 +1  108.8165381 +1 -114.3161639 +1     6     5     9
  H     1.07967939 +1  124.9499010 +1 -168.2643149 +1     7     4     1
  O     1.94753857 +1   82.9882579 +1  175.6468837 +1     1     2     4
  N     1.89265598 +1   99.1663064 +1  175.6594286 +1     1    12     2
  C     1.32622900 +1  127.3331136 +1   45.9473940 +1    12     1     2
  C     1.41657790 +1  111.1400160 +1 -175.1843782 +1     7     4    11
  H     1.00763159 +1  124.5953209 +1   18.5685686 +1    13     1    12
  O     1.20146643 +1  120.6421271 +1  167.9521378 +1    14    12     1
  H     1.07966726 +1  123.7216800 +1  175.1761116 +1    15     7     4