PM7 Accuracy

1,4-dichlorobenzene   2499 1,4-Dichlorobenzene

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    #  Species Formula
  2489 cis-Dichloroethylene (Geo)C2H2Cl2
  2490 trans-1,2-DichloroethyleneC2H2Cl2
  2491 trans-DichloroethyleneC2H2Cl2
  2492 1,1-DichloroethaneC2H4Cl2
  2493 1,1-Dichloroethane (Geo)C2H4Cl2
  2494 trans-1,2-DichloroethaneC2H4Cl2
  2495 trans-1,2-Dichloroethane (Geo)C2H4Cl2
  2496 1,2-DichloropropaneC3H6Cl2
  2497 1,2-DichlorobenzeneC6H4Cl2
  2498 1,3-DichlorobenzeneC6H4Cl2
  2499 1,4-Dichlorobenzene C6H4Cl2
  2500 Be(II)Cl2N2 (MECYBC) (Geo)H6BeC4N2Cl2
  2501 Be(II)Cl2N2 (MECYBC)H6BeC4N2Cl2
  2502 Be(II)Cl2N2 (VALHAS) (Geo)H22BeC8N2Cl2
  2503 Be(II)Cl2N2 (VALHAS)H22BeC8N2Cl2
  2504 Chlorine monoxideOCl2
  2505 Cl2O (Geo)OCl2
  2506 Carbonyl chlorideCOCl2
  2507 Carbonyl chloride (Geo)COCl2
  2508 MethoxydichloroboraneH3BCOCl2
  2509 Be(II)Cl2 (ETBECL) (Geo)H10BeC4OCl2


DHf: 5.9 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
1,4-Dichlorobenzene
 H=5.88 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39030648  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39438768  1  118.5136092  1    0.0000000  0     2     1     0
  C     1.39031774  1  118.4956030  1    0.0005956  1     3     2     1
  C     1.39039531  1  122.9933172  1   -0.0037332  1     4     3     2
  C     1.39039705  1  122.9826453  1    0.0038638  1     1     2     3
 Cl     1.70850089  1  118.5165584  1 -179.9924709  1     1     2     3
 Cl     1.70866446  1  118.4952307  1 -179.9993403  1     4     3     2
  H     1.09102329  1  121.2041294  1 -179.9964971  1     2     1     6
  H     1.09094628  1  120.2663219  1  179.9954698  1     3     2     1
  H     1.09096778  1  121.2251461  1  179.9912676  1     5     4     3
  H     1.09097744  1  121.2282119  1  179.9905634  1     6     1     2