Accuracy

cis-pt(nh2-i-pr)2cl2   7726 Cis-Pt(NH2-i-Pr)2Cl2

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

   

    #  Species Formula
  7716 Pt(cyclooctadiene)Cl2C8H12Cl2Pt
  7717 Pt(II)Cl2NC2 (ETDMAX) (Geo)C4H9NCl2Pt
  7718 Pt(II)Cl2NC2 (ETDMAX)C4H9NCl2Pt
  7719 Cis-Pt(NH3)2Cl2H6N2Cl2Pt
  7720 Pt(II)N2Cl2 (CUKRAB) (Geo)H6N2Cl2Pt
  7721 Pt(II)N2Cl2 (CUKRAB)H6N2Cl2Pt
  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)2Cl2 C6H18N2Cl2Pt
  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


ΔHf: -69.6 kcal/mol,     REF: D. Takhin and H. A. Skinner, J. Chem. Soc., Dalton Trans., 2323 (1983).
  
 UHF PM7
Cis-Pt(NH2-i-Pr)2Cl2
 H=-69.6 HR=TS1983
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.26666388 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.26661514 +1  100.1870117 +1    0.0000000 +0     1     2     0
  N     2.08981675 +1   82.3162787 +1  177.5627612 +1     1     2     3
  N     2.08953707 +1   82.3273025 +1  177.5809738 +1     1     3     2
  C     1.51729523 +1  115.1526710 +1   75.4809736 +1     4     1     2
  H     1.02476678 +1  107.5501646 +1  -45.6404321 +1     4     1     2
  H     1.01513941 +1  109.8993467 +1 -160.6729018 +1     4     1     2
  C     1.51727016 +1  115.1153096 +1   75.5331182 +1     5     1     3
  H     1.02482722 +1  107.5575184 +1  -45.5719160 +1     5     1     3
  H     1.01515116 +1  109.9279470 +1 -160.6211234 +1     5     1     3
  C     1.52827299 +1  109.0285888 +1   64.5417366 +1     6     4     1
  H     1.12742734 +1  106.5393449 +1  -53.2426487 +1     6     4     1
  C     1.52844999 +1  110.5602573 +1 -172.5362946 +1     6     4     1
  C     1.52842518 +1  110.5700980 +1 -172.0407224 +1     9     5     1
  C     1.52829983 +1  109.0411301 +1   65.0286651 +1     9     5     1
  H     1.12744884 +1  106.5313122 +1  -52.7455611 +1     9     5     1
  H     1.09894066 +1  110.6574114 +1  177.8301758 +1    14     6     4
  H     1.09705633 +1  112.1918105 +1   59.3813692 +1    14     6     4
  H     1.09438238 +1  112.7435562 +1  -62.8814444 +1    14     6     4
  H     1.09160232 +1  113.1271898 +1   67.8059410 +1    12     6     4
  H     1.10687263 +1  109.8424395 +1  -54.3682075 +1    12     6     4
  H     1.09702898 +1  110.8106107 +1 -171.8499870 +1    12     6     4
  H     1.09892080 +1  110.6565232 +1  177.9969249 +1    15     9     5
  H     1.09710906 +1  112.1932907 +1   59.5563671 +1    15     9     5
  H     1.09441368 +1  112.7412260 +1  -62.7150651 +1    15     9     5
  H     1.09165082 +1  113.1281982 +1   67.7802526 +1    16     9     5
  H     1.10660503 +1  109.8681712 +1  -54.4265528 +1    16     9     5
  H     1.09706941 +1  110.8079557 +1 -171.8936395 +1    16     9     5