Accuracy

Pt(II)Cl2N2C2 (BHZEPT)   7732 Pt(II)Cl2N2C2 (BHZEPT)

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    #  Species Formula
  7722 Cis-Pt(NH2C2H4NH2)2Cl2C2H8N2Cl2Pt
  7723 Pt(II)Cl2N2 (CCENPT) (Geo)C2H8N2Cl2Pt
  7724 Pt(II)Cl2N2 (CCENPT)C2H8N2Cl2Pt
  7725 Cis-Pt(NH2Me)2Cl2C2H10N2Cl2Pt
  7726 Cis-Pt(NH2-i-Pr)2Cl2C6H18N2Cl2Pt
  7727 Cis-Pt(NH2Bu)2Cl2C8H22N2Cl2Pt
  7728 Pt(2,2'-Bipyridyl)Cl2 (Geo)C10H8N2Cl2Pt
  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


ΔHf: 92.5 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 TRIPLET PM7
Pt(II)Cl2N2C2 (BHZEPT)
 H=92.5 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.98583541 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.95043570 +1   68.0997965 +1    0.0000000 +0     1     2     0
  C     2.06305589 +1  122.7407142 +1  173.8430096 +1     1     2     3
  C     1.27612596 +1   72.2151677 +1   23.8909695 +1     4     1     2
 Cl     2.26666467 +1  106.0277802 +1  102.6466120 +1     1     2     4
  C    -1.16367949 +1    2.5371933 +1   -1.2709725 +1     0     0     0
 Cl     0.59479243 +1   -0.1571284 +1   -2.2139082 +1     0     0     0
  C     3.06870344 +1    1.3324982 +1    0.4430889 +1     0     0     0
  N     3.59210429 +1   -0.3240682 +1   -1.1327918 +1     0     0     0
  C     4.39397152 +1    1.7365203 +1    1.0037845 +1     0     0     0
  C     3.44675230 +1   -1.7472793 +1   -1.4891121 +1     0     0     0
  H     0.37755653 +1    3.7374013 +1   -0.5203925 +1     0     0     0
  H     1.15321976 +1    3.8257779 +1    1.6753357 +1     0     0     0
  H     2.48027245 +1    4.2757282 +1    0.5679677 +1     0     0     0
  H     2.79845260 +1    3.4263797 +1    2.0876245 +1     0     0     0
  H    -1.69559432 +1    1.6032072 +1   -0.9717217 +1     0     0     0
  H    -0.78916928 +1    2.4124758 +1   -2.2997438 +1     0     0     0
  H    -1.90084706 +1    3.3571697 +1   -1.2516133 +1     0     0     0
  H    -2.08608607 +1   -1.9056943 +1   -0.5179562 +1     0     0     0
  H     0.78208812 +1   -2.6741904 +1    0.6358515 +1     0     0     0
  H     3.58375888 +1    0.3260926 +1   -1.9164788 +1     0     0     0
  H     4.36202269 +1    1.7533749 +1    2.1059486 +1     0     0     0
  H     5.19209781 +1    1.0275304 +1    0.7322389 +1     0     0     0
  H     4.70889484 +1    2.7294421 +1    0.6575358 +1     0     0     0
  H     3.35463139 +1   -2.3728687 +1   -0.5821997 +1     0     0     0
  H     2.56460009 +1   -1.9364377 +1   -2.1266635 +1     0     0     0
  H     4.35493315 +1   -2.0575154 +1   -2.0321287 +1     0     0     0
  N    -0.11088899 +1    2.8664247 +1   -0.2841266 +1     0     0     0
  C     1.97628882 +1    2.1682884 +1    0.5358037 +1     0     0     0
  C     2.10580051 +1    3.4866427 +1    1.2326708 +1     0     0     0