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

cis-pt(nh2bu)2cl2   7728 Cis-Pt(NH2Bu)2Cl2

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    #  Species Formula
  7718 Pt(II)Cl2NC2 (ETDMAX) (Geo)C4H9NCl2Pt
  7719 Pt(II)Cl2NC2 (ETDMAX)C4H9NCl2Pt
  7720 Cis-Pt(NH3)2Cl2H6N2Cl2Pt
  7721 Pt(II)N2Cl2 (CUKRAB) (Geo)H6N2Cl2Pt
  7722 Pt(II)N2Cl2 (CUKRAB)H6N2Cl2Pt
  7723 Cis-Pt(NH2C2H4NH2)2Cl2C2H8N2Cl2Pt
  7724 Pt(II)Cl2N2 (CCENPT) (Geo)C2H8N2Cl2Pt
  7725 Pt(II)Cl2N2 (CCENPT)C2H8N2Cl2Pt
  7726 Cis-Pt(NH2Me)2Cl2C2H10N2Cl2Pt
  7727 Cis-Pt(NH2-i-Pr)2Cl2C6H18N2Cl2Pt
  7728 Cis-Pt(NH2Bu)2Cl2 C8H22N2Cl2Pt
  7729 Pt(2,2'-Bipyridyl)Cl2 (Geo)C10H8N2Cl2Pt
  7730 cis-Ptpy2Cl2C10H10N2Cl2Pt
  7731 cis-Dichloro-bis(pyridine)-platinum (Geo)C10H10N2Cl2Pt
  7732 Pt(II)Cl2N2C2 (BHZEPT) (Geo)C8H16N4Cl2Pt
  7733 Pt(II)Cl2N2C2 (BHZEPT)C8H16N4Cl2Pt
  7734 Platinum(IV) oxide dichlorideOCl2Pt
  7735 Platinum(IV) oxide dichloride (Geo)OCl2Pt
  7736 Pt(II)N2Cl2 (CCAPGC10) (Geo)C2H8N2O2Cl2Pt
  7737 Pt(II)N2Cl2 (CCAPGC10)C2H8N2O2Cl2Pt
  7738 cis-Pt(IV)(glycyl)2Cl2 (Geo)C4H8N2O4Cl2Pt


ΔHf: -77.0 kcal/mol,     REF: D. Takhin and H. A. Skinner, J. Chem. Soc., Dalton Trans., 2323 (1983).
  
 SHIFT=80 PULAY PM7
Cis-Pt(NH2Bu)2Cl2
 H=-77 HR=TS1983
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.26601533 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.26599045 +1  100.7817301 +1    0.0000000 +0     1     2     0
  N     2.08256644 +1   82.4477506 +1  177.4179864 +1     1     2     3
  N     2.08257937 +1   82.4298403 +1  177.4313981 +1     1     3     2
  C     1.50321514 +1  113.0445135 +1   89.9294622 +1     4     1     2
  H     1.02521513 +1  109.6419941 +1  -31.9126117 +1     4     1     2
  H     1.01651086 +1  109.5798289 +1 -147.6879344 +1     4     1     2
  C     1.50315368 +1  113.0385451 +1   89.5866090 +1     5     1     3
  H     1.02524615 +1  109.6181675 +1  -32.1593987 +1     5     1     3
  H     1.01651550 +1  109.6267297 +1 -147.9540955 +1     5     1     3
  C     1.53027304 +1  113.0627647 +1  170.6384555 +1     6     4     1
  H     1.11677869 +1  107.9243366 +1  -66.6052760 +1     6     4     1
  C     1.53027246 +1  113.0597699 +1  171.3564042 +1     9     5     1
  H     1.11680707 +1  107.9066604 +1  -65.8929384 +1     9     5     1
  H     1.11016316 +1  108.9260725 +1  171.6756279 +1    12     6     4
  H     1.10785852 +1  110.3323610 +1   57.3132469 +1    12     6     4
  C     1.53458409 +1  113.6445725 +1  -66.4066165 +1    12     6     4
  C     1.53461714 +1  113.6106543 +1  -66.6120791 +1    14     9     5
  H     1.11014109 +1  108.9308797 +1  171.5039741 +1    14     9     5
  H     1.10786548 +1  110.3430456 +1   57.1389399 +1    14     9     5
  H     1.11198222 +1  108.1736507 +1   47.8930411 +1     9     5     1
  H     1.10999369 +1  108.9783483 +1  171.7944010 +1    19    14     9
  H     1.10498082 +1  111.0640161 +1   56.7045887 +1    19    14     9
  C     1.52810387 +1  112.3422093 +1  -67.0909903 +1    19    14     9
  H     1.09656536 +1  111.2040806 +1 -177.5785043 +1    25    19    14
  H     1.09414866 +1  112.1870839 +1   62.0875336 +1    25    19    14
  H     1.09722079 +1  111.3906426 +1  -58.3235798 +1    25    19    14
  H     1.11207080 +1  108.1520704 +1   47.1666635 +1     6     4     1
  H     1.11004880 +1  108.9607701 +1  172.2586084 +1    18    12     6
  H     1.10497422 +1  111.0599836 +1   57.2013308 +1    18    12     6
  C     1.52813247 +1  112.3818728 +1  -66.6205124 +1    18    12     6
  H     1.09656305 +1  111.1930045 +1 -177.5897232 +1    32    18    12
  H     1.09409706 +1  112.2044224 +1   62.0742889 +1    32    18    12
  H     1.09726809 +1  111.3765252 +1  -58.3518516 +1    32    18    12