PM7 Accuracy

1,2-difluorobenzene   1554 1,2-Difluorobenzene

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    #  Species Formula
  1544 Difluoromethyl, cationHCF2
  1545 Difluoromethane, cationCH2F2
  1546 DifluoromethaneCH2F2
  1547 DifluoromethylboraneH3BCF2
  1548 MethyldifluoroboraneH3BCF2
  1549 DifluoroacetyleneC2F2
  1550 gem-DifluoroethyleneC2H2F2
  1551 CH3CF2, cationC2H3F2
  1552 1,1-DifluoroethaneC2H4F2
  1553 F2BCHCH2H3BC2F2
  1554 1,2-Difluorobenzene C6H4F2
  1555 1,3-DifluorobenzeneC6H4F2
  1556 1,4-DifluorobenzeneC6H4F2
  1557 Phenyldifluoroborane (Geo)H5BC6F2
  1558 NF2.NF2
  1559 Difluoro nitrogen, anionNF2
  1560 Aminodifluoroborane (Geo)H2BNF2
  1561 t-ButyldifluoroamineC4H9NF2
  1562 N,N'-DifluorobenzylamineC7H7NF2
  1563 cis-DifluorodiazeneN2F2
  1564 trans-DifluorodiazeneN2F2


DHf: -67.7 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
1,2-Difluorobenzene
 H=-67.65 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39469409  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39500514  1  120.8048013  1    0.0000000  0     2     1     0
  C     1.39479931  1  120.7914303  1   -0.0369267  1     3     2     1
  C     1.39178788  1  118.4217781  1    0.0112890  1     4     3     2
  C     1.39177907  1  118.4307190  1    0.0362534  1     1     2     3
  F     1.32090761  1  119.9901429  1 -179.9947676  1     6     1     2
  F     1.32090123  1  120.0075573  1 -179.9735418  1     5     4     3
  H     1.08971993  1  120.7208920  1 -179.9917767  1     1     2     6
  H     1.08995724  1  119.4695584  1  179.9926435  1     2     1     3
  H     1.08990115  1  119.7390733  1  179.9955063  1     3     2     4
  H     1.08976054  1  120.7244064  1 -179.9936156  1     4     3     5