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

cis-pt(1,1-cbda)(nh2et)2   7683 Cis-Pt(1,1-cbda)(NH2Et)2

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    #  Species Formula
  7673 Pt(NH3)2(malonate) (Geo)C3H8N2O4Pt
  7674 Pt(II)N2O2 (CAGDUJ) (Geo)C5H6N2O4Pt
  7675 Pt(II)N2O2 (CAGDUJ)C5H6N2O4Pt
  7676 Pt(CH2(COO)2)(NH2C2H4NH2)C5H10N2O4Pt
  7677 Pt((COO)2CHEt)(NH3)2C5H12N2O4Pt
  7678 Cis-Pt(1,1-cbda)(NH3)2C6H12N2O4Pt
  7679 Pt(IV)N2O2C2 (BAVHIP) (Geo)C6H14N2O4Pt
  7680 Pt(IV)N2O2C2 (BAVHIP)C6H14N2O4Pt
  7681 Cis-Pt(1,1-cbda)(NH2Me)2 (34)C8H16N2O4Pt
  7682 Cis-Pt(1,2-cbda)(NH2Me)2C8H16N2O4Pt
  7683 Cis-Pt(1,1-cbda)(NH2Et)2 C10H20N2O4Pt
  7684 Cis-Pt(1,1-cbda)(NH2-i-Pr)2C12H24N2O4Pt
  7685 Pt((COO)2CH(OH))(NH3)2C3H8N2O5Pt
  7686 Pt(II)(H2O)6H12O6Pt
  7687 Pt(II)(H2O)6 (Geo)H12O6Pt
  7688 Pt(IV)O4N2 (BIPWIG) (Geo)C3H10N2O6Pt
  7689 Pt(IV)O4N2 (BIPWIG)C3H10N2O6Pt
  7690 Platinum EDTA (Geo)C10H12N2O8Pt
  7691 Platinum EDTAC10H12N2O8Pt
  7692 Methyl platinum(II) fluorideCH3FPt
  7693 Methyl platinum(II) fluoride (Geo)CH3FPt


ΔHf: -157.1 kcal/mol,     REF: D. Takhin, G. Pilcher, J. Bickerton, and A. Zaki, J. Chem. Soc., Dalton Trans., 371 (1984).
  
 SHIFT=80 PULAY PM7
Cis-Pt(1,1-cbda)(NH2Et)2
 H=-157.1 HR=TPBZ84
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.02074513 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.02094905 +1  103.8866083 +1    0.0000000 +0     1     2     0
  N     2.04362105 +1   75.9075280 +1 -177.2495180 +1     1     2     3
  N     2.04345040 +1   75.7390358 +1  177.1991036 +1     1     3     2
  C     1.50854539 +1  112.4641170 +1  -80.3406259 +1     4     1     2
  H     1.01487436 +1  113.3581404 +1  154.8181257 +1     4     1     2
  H     1.03170124 +1  106.9411338 +1   38.2974232 +1     4     1     2
  C     1.50781827 +1  112.9077816 +1   89.1412293 +1     5     1     3
  H     1.03355188 +1  106.9413015 +1  -29.7565665 +1     5     1     3
  H     1.01551927 +1  112.9872265 +1 -145.8400790 +1     5     1     3
  C     1.32450801 +1  114.5163801 +1   10.1534506 +1     2     1     3
  C     1.32415460 +1  114.6334622 +1  -10.0822222 +1     3     1     2
  O     1.20837415 +1  119.7054379 +1  148.1572097 +1    12     2     1
  O     1.20827037 +1  119.7343558 +1 -148.3511813 +1    13     3     1
  C     1.52137651 +1  117.2642905 +1   36.5724009 +1    13     3     1
  C     1.56116058 +1  111.9615648 +1   61.6722204 +1    16    13     3
  C     1.55906494 +1  111.9330884 +1  160.0516561 +1    16    13     3
  C     1.54976040 +1   90.4667871 +1 -113.1482161 +1    18    16    13
  H     1.09362108 +1  113.9401580 +1 -129.2948497 +1    17    16    13
  H     1.09350726 +1  114.0107258 +1   -4.5957570 +1    17    16    13
  H     1.09652612 +1  114.1413151 +1    4.6239549 +1    18    16    13
  H     1.09660877 +1  114.1106815 +1  129.1196521 +1    18    16    13
  H     1.09198705 +1  114.4496741 +1 -117.4736220 +1    19    18    16
  H     1.09216918 +1  114.3495766 +1  116.8232592 +1    19    18    16
  H     1.11057360 +1  108.4868523 +1  -56.9863381 +1     6     4     1
  H     1.12045916 +1  107.2386801 +1   57.4437644 +1     6     4     1
  C     1.52140005 +1  112.1643935 +1  179.5083872 +1     6     4     1
  C     1.52167638 +1  112.1458097 +1 -177.7882457 +1     9     5     1
  H     1.11957400 +1  107.2275178 +1  -55.7653204 +1     9     5     1
  H     1.11008233 +1  108.6289755 +1   58.7628380 +1     9     5     1
  H     1.09930729 +1  110.9686769 +1  178.6215762 +1    29     9     5
  H     1.09893770 +1  112.2326125 +1   60.1458232 +1    29     9     5
  H     1.09519981 +1  112.8327243 +1  -61.8208693 +1    29     9     5
  H     1.09954930 +1  110.8991687 +1 -178.7680618 +1    28     6     4
  H     1.09501660 +1  112.8617856 +1   61.7111735 +1    28     6     4
  H     1.09870435 +1  112.2473320 +1  -60.3622057 +1    28     6     4