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

n,n'-bis(m-methoxyphenyl) terephthalamide   1424 N,N'-Bis(m-methoxyphenyl) terephthalamide

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    #  Species Formula
  1414 4-NitrocatecholC6H5NO4
  1415 p-Nitrobenzoic acidC7H5NO4
  1416 Dinitrogen tetroxideN2O4
  1417 Dinitrogen tetroxide (Geo)N2O4
  1418 DinitromethaneCH2N2O4
  1419 m-DinitrobenzeneC6H4N2O4
  1420 o-DinitrobenzeneC6H4N2O4
  1421 p-DinitrobenzeneC6H4N2O4
  1422 2,4-DinitrotolueneC7H6N2O4
  1423 DinitrophenylmethaneC7H6N2O4
  1424 N,N'-Bis(m-methoxyphenyl) terephthalamide C22H20N2O4
  1425 N,N'-Bis(o-methoxyphenyl) terephthalamideC22H20N2O4
  1426 N,N'-Bis(p-methoxyphenyl) terephthalamideC22H20N2O4
  1427 MethyldinitramineCH3N3O4
  1428 LiHCO3.2H2OH5LiCO5
  1429 LiHCO3.2H2O (Geo)H5LiCO5
  1430 Tartronic acidC3H4O5
  1431 1,3,5,7,9-pentaoxecaneC5H10O5
  1432 3,5,7,9,11-Pentaoxa-tridecaneC8H18O5
  1433 15-Crown-5C10H20O5
  1434 LiNO3.2H2OH4LiNO5


ΔHf: -81.3 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'-Bis(m-methoxyphenyl) terephthalamide
 H=-81.3 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39327690 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39342042 +1  119.3269577 +1    0.0000000 +0     2     1     0
  C     1.39329864 +1  119.3275043 +1   -0.0921544 +1     3     2     1
  C     1.39330105 +1  121.3418875 +1    0.2836662 +1     4     3     2
  C     1.39326864 +1  121.3458630 +1   -0.0525595 +1     1     2     3
  C     1.49441023 +1  119.3071114 +1  177.7785783 +1     1     2     3
  C     1.49442825 +1  119.2861963 +1  178.4517736 +1     4     3     2
  O     1.20658847 +1  122.8867353 +1  -89.1200314 +1     7     1     2
  O     1.20626259 +1  123.0858779 +1  -88.6145799 +1     8     4     3
  N     1.39375013 +1  113.3244620 +1   90.8753578 +1     7     1     2
  N     1.39466830 +1  113.1343447 +1   91.3620890 +1     8     4     3
  C     1.41322547 +1  125.7639291 +1 -179.9097540 +1    12     8     4
  C     1.41039604 +1  116.1050067 +1 -179.9754262 +1    13    12     8
  C     1.39042878 +1  118.2199068 +1 -179.9591401 +1    14    13    12
  C     1.40595932 +1  122.0180182 +1   -0.0247238 +1    15    14    13
  C     1.38573258 +1  118.3826730 +1    0.0066282 +1    16    15    14
  C     1.39667794 +1  123.2582404 +1    0.0436792 +1    13    12     8
  C     1.41257300 +1  125.7277022 +1 -179.9720618 +1    11     7     1
  C     1.40245806 +1  123.2454505 +1   -0.3045428 +1    19    11     7
  C     1.39065055 +1  119.4376933 +1  179.9845209 +1    20    19    11
  C     1.39316075 +1  121.5049665 +1   -0.0047959 +1    21    20    19
  C     1.39610272 +1  118.2052312 +1    0.0364803 +1    22    21    20
  C     1.40270380 +1  116.3693727 +1  179.7082429 +1    19    11     7
  O     1.35860507 +1  125.5239352 +1 -179.9444056 +1    23    22    21
  C     1.42101518 +1  117.2728350 +1   -0.5495482 +1    25    23    22
  O     1.35737894 +1  125.3273632 +1  179.9640406 +1    15    14    13
  C     1.42067606 +1  117.5364498 +1    0.0472414 +1    27    15    14
  H     1.09086378 +1  120.4146890 +1 -179.6580240 +1     2     1     6
  H     1.09085337 +1  120.2635143 +1  179.5463610 +1     3     2     1
  H     1.09083154 +1  120.4101057 +1  179.3114577 +1     5     4     3
  H     1.09086042 +1  120.4154264 +1  179.6401016 +1     6     1     2
  H     1.01910507 +1  118.1632652 +1   -0.0898412 +1    11     7     1
  H     1.01788618 +1  118.0570202 +1    0.0436036 +1    12     8     4
  H     1.08159383 +1  120.5483682 +1    0.0284381 +1    14    13    12
  H     1.08538991 +1  119.8050110 +1 -179.9976519 +1    16    15    14
  H     1.09205232 +1  119.6623918 +1 -179.9985262 +1    17    16    15
  H     1.09024620 +1  121.3078075 +1   -0.0235641 +1    18    13    12
  H     1.09036235 +1  121.0726886 +1   -0.0069209 +1    20    19    11
  H     1.09172774 +1  119.1835326 +1 -179.9860748 +1    21    20    19
  H     1.08228677 +1  120.1352275 +1 -179.9315908 +1    22    21    20
  H     1.08505701 +1  122.1247797 +1    0.0001561 +1    24    19    11
  H     1.09880581 +1  102.1001098 +1 -179.2618030 +1    26    25    23
  H     1.09436977 +1  110.8754888 +1   63.0212615 +1    26    25    23
  H     1.09432031 +1  110.9913966 +1  -61.5236391 +1    26    25    23
  H     1.09905430 +1  102.1013451 +1 -179.8973859 +1    28    27    15
  H     1.09426099 +1  110.9407996 +1   62.4260085 +1    28    27    15
  H     1.09426383 +1  110.9676147 +1  -62.2142938 +1    28    27    15