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

n,n'-difluorobenzylamine   1561 N,N'-Difluorobenzylamine

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1551 1,1-DifluoroethaneC2H4F2
  1552 F2BCHCH2H3BC2F2
  1553 1,2-DifluorobenzeneC6H4F2
  1554 1,3-DifluorobenzeneC6H4F2
  1555 1,4-DifluorobenzeneC6H4F2
  1556 Phenyldifluoroborane (Geo)H5BC6F2
  1557 NF2.NF2
  1558 Difluoro nitrogen, anionNF2
  1559 Aminodifluoroborane (Geo)H2BNF2
  1560 t-ButyldifluoroamineC4H9NF2
  1561 N,N'-Difluorobenzylamine C7H7NF2
  1562 cis-DifluorodiazeneN2F2
  1563 trans-DifluorodiazeneN2F2
  1564 NF2-CN (Geo)CN2F2
  1565 Difluorine oxideOF2
  1566 F2O (Geo)OF2
  1567 Be(OF)2Be2OF2
  1568 Boron difluoride oxide radical (Geo)BOF2
  1569 F2BOBOF2
  1570 F2BOH (Geo)HBOF2
  1571 Difluorohydroxyborane (1)HBOF2


ΔHf: 1.8 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
N,N'-Difluorobenzylamine
 H=1.79 HR=NIST
  C     0.07752503 +1  -0.04914314 +1   0.01602769 +1
  C     1.45769983 +1   0.02131214 +1   0.20530487 +1
  C     2.09888433 +1   1.25794397 +1   0.16151879 +1
  C     1.36513608 +1   2.41925420 +1  -0.07385480 +1
  C    -0.01451089 +1   2.34712442 +1  -0.26086585 +1
  C    -0.65949051 +1   1.11409217 +1  -0.21484108 +1
  C    -0.62705141 +1  -1.37710395 +1   0.05717508 +1
  N    -1.22346439 +1  -1.62993358 +1  -1.28646803 +1
  F    -1.71243464 +1  -2.92003189 +1  -1.28771736 +1
  F    -0.18807432 +1  -1.78810478 +1  -2.18053758 +1
  H     2.03831602 +1  -0.88218274 +1   0.38145725 +1
  H     3.17592791 +1   1.31517645 +1   0.30717390 +1
  H     1.86852545 +1   3.38332343 +1  -0.11497148 +1
  H    -0.58736095 +1   3.25400894 +1  -0.44534264 +1
  H    -1.73599046 +1   1.05256219 +1  -0.37332637 +1
  H    -1.47597856 +1  -1.33976289 +1   0.78692418 +1
  H     0.04854851 +1  -2.18578637 +1   0.41819585 +1