Accuracy

Pt(II)Cl2N2 (BALTIR)   7739 Pt(II)Cl2N2 (BALTIR)

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    #  Species Formula
  7729 cis-Ptpy2Cl2C10H10N2Cl2Pt
  7730 cis-Dichloro-bis(pyridine)-platinum (Geo)C10H10N2Cl2Pt
  7731 Pt(II)Cl2N2C2 (BHZEPT) (Geo)C8H16N4Cl2Pt
  7732 Pt(II)Cl2N2C2 (BHZEPT)C8H16N4Cl2Pt
  7733 Platinum(IV) oxide dichlorideOCl2Pt
  7734 Platinum(IV) oxide dichloride (Geo)OCl2Pt
  7735 Pt(II)N2Cl2 (CCAPGC10) (Geo)C2H8N2O2Cl2Pt
  7736 Pt(II)N2Cl2 (CCAPGC10)C2H8N2O2Cl2Pt
  7737 cis-Pt(IV)(glycyl)2Cl2 (Geo)C4H8N2O4Cl2Pt
  7738 Pt(II)Cl2N2 (BALTIR) (Geo)C4H10N2O4Cl2Pt
  7739 Pt(II)Cl2N2 (BALTIR) C4H10N2O4Cl2Pt
  7740 Pt(II)P2Cl2 (CDCPPT10) (Geo)C6H18P2Cl2Pt
  7741 Pt(PMe3)2Cl2 (cis) (Geo)C6H18P2Cl2Pt
  7742 cis-Pt(PEt3)2Cl2C12H30P2Cl2Pt
  7743 trans-Pt(PEt3)2Cl2C12H30P2Cl2Pt
  7744 cis-Pt(PMe2Ph)2Cl2C17H24P2Cl2Pt
  7745 Pt(C2)Cl3(-) (XIVSOK) (Zeise's salt) (Geo)C2H4Cl3Pt
  7746 Pt(C2)Cl3(-) (XIVSOK) (Zeise's salt)C2H4Cl3Pt
  7747 Pt(II)Cl3N(-) (APTCPT) (Geo)C7H9NCl3Pt
  7748 Pt(II)Cl3N(-) (APTCPT)C7H9NCl3Pt
  7749 Pt(IV)Cl3CN2 (CEFJAY) (Geo)C12H19N2Cl3Pt


ΔHf: -224.7 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)Cl2N2 (BALTIR)
 H=-224.7 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.26118825 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.26106701 +1  100.1079916 +1    0.0000000 +0     1     2     0
  N     2.08753582 +1   82.8136232 +1 -178.0160225 +1     1     2     3
  O     2.58958383 +1  176.0378422 +1  -87.5093425 +1     4     1     2
  O     5.37604706 +1  153.3027971 +1  -91.9840024 +1     1     2     4
  O     2.23126591 +1   58.1649789 +1  147.6115524 +1     6     1     2
  N     2.08776024 +1   28.6101995 +1 -174.3409261 +1     1     6     2
  C     1.49916726 +1  112.5639456 +1  110.0713089 +1     4     1     8
  C     1.36161791 +1   71.7399520 +1   11.6759119 +1     5     4     1
  C     1.50062842 +1  111.9266985 +1 -111.7353429 +1     8     1     4
  C     1.36336084 +1   27.3569695 +1   10.0073762 +1     7     6     1
  H     1.01788470 +1  111.2854905 +1 -122.6603341 +1     4     1     9
  H     1.02729627 +1  109.1596175 +1 -116.3144106 +1     4     1    13
  H     1.01852700 +1  110.8866157 +1  122.0514035 +1     8     1    11
  H     1.02439703 +1  109.8722925 +1  116.6035151 +1     8     1    15
  H     1.11980786 +1  109.0480090 +1  -50.4492351 +1     9     4     1
  H     1.12651244 +1  109.3795099 +1  113.6332261 +1     9     4    17
  H     1.12608207 +1  108.0303898 +1   33.2777632 +1    11     8     1
  H     1.12352100 +1  109.9444757 +1 -112.9256763 +1    11     8    19
  H     0.99045222 +1  173.4766389 +1 -155.0986143 +1     5     4    10
  H     0.99023906 +1   86.6643321 +1  178.8291679 +1     7     6    12
  O     1.19705329 +1  121.5163381 +1 -175.2188590 +1    10     5     4