Accuracy

n,n'-bis(o-methoxyphenyl) terephthalamide   1423 N,N'-Bis(o-methoxyphenyl) terephthalamide

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    #  Species Formula
  1413 p-Nitrobenzoic acidC7H5NO4
  1414 Dinitrogen tetroxideN2O4
  1415 Dinitrogen tetroxide (Geo)N2O4
  1416 DinitromethaneCH2N2O4
  1417 m-DinitrobenzeneC6H4N2O4
  1418 o-DinitrobenzeneC6H4N2O4
  1419 p-DinitrobenzeneC6H4N2O4
  1420 2,4-DinitrotolueneC7H6N2O4
  1421 DinitrophenylmethaneC7H6N2O4
  1422 N,N'-Bis(m-methoxyphenyl) terephthalamideC22H20N2O4
  1423 N,N'-Bis(o-methoxyphenyl) terephthalamide C22H20N2O4
  1424 N,N'-Bis(p-methoxyphenyl) terephthalamideC22H20N2O4
  1425 MethyldinitramineCH3N3O4
  1426 LiHCO3.2H2OH5LiCO5
  1427 LiHCO3.2H2O (Geo)H5LiCO5
  1428 Tartronic acidC3H4O5
  1429 1,3,5,7,9-pentaoxecaneC5H10O5
  1430 3,5,7,9,11-Pentaoxa-tridecaneC8H18O5
  1431 15-Crown-5C10H20O5
  1432 LiNO3.2H2OH4LiNO5
  1433 LiNO3.2H2O (Geo)H4LiNO5


ΔHf: -74.2 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.
  
 INT PM7
N,N'-Bis(o-methoxyphenyl) terephthalamide
 H=-74.2 HR=NIST
  C     0.00000000 +1   0.00000000 +1   0.00000000 +1
  C     1.39401871 +1   0.00000000 +1   0.00000000 +1
  C     2.07794435 +1   1.21351492 +1   0.00000000 +1
  C     1.35545763 +1   2.40539868 +1   0.00402966 +1
  C    -0.03801309 +1   2.40655917 +1   0.00987080 +1
  C    -0.72184700 +1   1.19263183 +1   0.00021209 +1
  C    -0.75810675 +1  -1.28526399 +1  -0.04246897 +1
  C     2.07444532 +1   3.71407583 +1   0.03827612 +1
  O    -1.53864420 +1  -1.55661840 +1  -0.92630557 +1
  O     2.06220754 +1   4.44822166 +1   0.99923134 +1
  N    -0.50445776 +1  -2.12767933 +1   1.03207575 +1
  N     2.74430564 +1   4.00924100 +1  -1.14191994 +1
  C     3.52067772 +1   5.16678111 +1  -1.36766930 +1
  C     4.25408675 +1   5.23982726 +1  -2.58573376 +1
  C     5.03079952 +1   6.34493651 +1  -2.89499624 +1
  C     5.09734611 +1   7.40584055 +1  -1.98695173 +1
  C     4.39080802 +1   7.34959043 +1  -0.79374007 +1
  C     3.60341295 +1   6.23848217 +1  -0.48085972 +1
  C    -1.05289210 +1  -3.41945124 +1   1.19007904 +1
  C    -2.12550653 +1  -3.90655446 +1   0.44577037 +1
  C    -2.61315122 +1  -5.19506461 +1   0.67856361 +1
  C    -2.04410271 +1  -6.00430860 +1   1.65209325 +1
  C    -0.96949953 +1  -5.53834735 +1   2.41532028 +1
  C    -0.47959724 +1  -4.26299736 +1   2.18269190 +1
  O     0.57732334 +1  -3.69075228 +1   2.83074964 +1
  C     1.07982598 +1  -4.36869747 +1   3.97256288 +1
  O     4.12223627 +1   4.12438440 +1  -3.36206052 +1
  C     4.63511392 +1   4.19156611 +1  -4.68423897 +1
  H     1.94750539 +1  -0.93925739 +1  -0.01158622 +1
  H     3.16814585 +1   1.22855617 +1   0.00370667 +1
  H    -0.58708193 +1   3.34923521 +1   0.02501106 +1
  H    -1.81312578 +1   1.17240203 +1  -0.01328953 +1
  H     0.16867773 +1  -1.84252690 +1   1.74125573 +1
  H     2.70779134 +1   3.34354182 +1  -1.91251971 +1
  H     5.58977108 +1   6.39852859 +1  -3.82370766 +1
  H     5.70746191 +1   8.27550940 +1  -2.22286548 +1
  H     4.44424247 +1   8.17714582 +1  -0.08793658 +1
  H     3.05405598 +1   6.22324240 +1   0.46551535 +1
  H    -2.59521614 +1  -3.28803074 +1  -0.32509048 +1
  H    -3.45031557 +1  -5.56018565 +1   0.08567308 +1
  H    -2.43067504 +1  -7.00642700 +1   1.82710301 +1
  H    -0.53100774 +1  -6.18086760 +1   3.17201368 +1
  H     1.85423878 +1  -3.67534766 +1   4.32935501 +1
  H     1.52503612 +1  -5.32736867 +1   3.68801054 +1
  H     0.29895528 +1  -4.49725250 +1   4.72865006 +1
  H     5.72601156 +1   4.28115235 +1  -4.67101409 +1
  H     4.17156693 +1   5.00910562 +1  -5.24516603 +1
  H     4.33365985 +1   3.21870814 +1  -5.09714246 +1