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

1,1-bis(difluoroamine)heptane   1621 1,1-Bis(difluoroamine)heptane

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1611 TetrafluorodiboraneB2F4
  1612 Carbon tetrafluorideCF4
  1613 Carbon tetrafluoride (Geo)CF4
  1614 Tetrafluoroethylene (Geo)C2F4
  1615 TetrafluoroethyleneC2F4
  1616 1,2,4,5-TetrafluorobenzeneC6H2F4
  1617 1-Fluoro-3-(trifluoro-methyl)benzeneC7H4F4
  1618 TetrafluorohydrazineN2F4
  1619 N,N,N',N'-tetrafluoro-1,1-cyclohexanediamineC6H10N2F4
  1620 N,N,N',N'-Tetrafluoro-4-methyl-1,2-pentaneC6H12N2F4
  1621 1,1-Bis(difluoroamine)heptane C7H14N2F4
  1622 PerfluoromethanolCOF4
  1623 Bis(fluoroxy)perfluoromethaneCO2F4
  1624 PentafluorobenzeneHC6F5
  1625 2,3,4,5,6-PentafluorotolueneC7H3F5
  1626 PentafluoromethylamineCNF5
  1627 PentafluoroguanidineCN3F5
  1628 PentafluorophenolHC6OF5
  1629 Hexafluoroethane (Geo)C2F6
  1630 HexafluoroethaneC2F6
  1631 PerfluorobutadieneC4F6


ΔHf: -52.8 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
1,1-Bis(difluoroamine)heptane
 H=-52.8 HR=NIST
  C    -0.03913019 +1  -0.00850208 +1   0.05725128 +1
  C     1.48069145 +1   0.07040110 +1   0.19956649 +1
  C     1.99131441 +1   1.48527260 +1  -0.10502496 +1
  C     3.51765715 +1   1.54915741 +1   0.03540624 +1
  C     4.02978065 +1   2.97002990 +1  -0.23157029 +1
  C     5.55783507 +1   3.01128689 +1  -0.11481887 +1
  C     6.08511458 +1   4.44288813 +1  -0.35372508 +1
  N     7.53594217 +1   4.33480755 +1  -0.70196373 +1
  N     5.67726966 +1   5.31402877 +1   0.79087332 +1
  F     8.24562163 +1   4.01220171 +1   0.43001667 +1
  F     8.02885508 +1   5.60059947 +1  -0.92134819 +1
  F     6.19770431 +1   6.57127273 +1   0.58208822 +1
  F     6.39692770 +1   4.96135000 +1   1.90749953 +1
  H    -0.40563710 +1  -1.01687894 +1   0.28107098 +1
  H    -0.36180391 +1   0.23938807 +1  -0.96000378 +1
  H    -0.54357318 +1   0.68322947 +1   0.74124790 +1
  H     1.96018093 +1  -0.66000564 +1  -0.47916492 +1
  H     1.77852841 +1  -0.22655156 +1   1.22333432 +1
  H     1.51428861 +1   2.21318659 +1   0.57803607 +1
  H     1.68772512 +1   1.78440609 +1  -1.12510128 +1
  H     3.98926427 +1   0.83434784 +1  -0.66476040 +1
  H     3.81507306 +1   1.22340467 +1   1.05076683 +1
  H     3.57115476 +1   3.67796287 +1   0.48906009 +1
  H     3.70692072 +1   3.30613892 +1  -1.23462807 +1
  H     6.01433569 +1   2.32742316 +1  -0.86295670 +1
  H     5.87339431 +1   2.61865006 +1   0.87139576 +1
  H     5.57049038 +1   4.87210445 +1  -1.27281527 +1