Accuracy

15-crown-5   1431 15-Crown-5

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    #  Species Formula
  1421 DinitrophenylmethaneC7H6N2O4
  1422 N,N'-Bis(m-methoxyphenyl) terephthalamideC22H20N2O4
  1423 N,N'-Bis(o-methoxyphenyl) terephthalamideC22H20N2O4
  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-5 C10H20O5
  1432 LiNO3.2H2OH4LiNO5
  1433 LiNO3.2H2O (Geo)H4LiNO5
  1434 Dinitrogen pentoxideN2O5
  1435 SER-SERC6H12N2O5
  1436 THR-THRC8H16N2O5
  1437 Li(+)(H2O)5.OHH11LiO6
  1438 Li(+)(H2O)5.OH (Geo)H11LiO6
  1439 Li(+)(H2O)6H12LiO6
  1440 Li(+)(H2O)6 (Geo)H12LiO6
  1441 B3O3(OH)3H3B3O6


ΔHf: -191.1 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
15-Crown-5
 H=-191.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53022078 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.41835443 +1  108.3557866 +1    0.0000000 +0     2     1     0
  C     1.41305256 +1  115.3556713 +1  115.3467891 +1     3     2     1
  C     1.53346958 +1  111.9911939 +1  -75.8048755 +1     4     3     2
  O     1.41946224 +1  106.9916173 +1 -116.8931488 +1     5     4     3
  C     1.41010711 +1  116.0082247 +1  117.4720574 +1     6     5     4
  C     1.53366521 +1  112.0470148 +1  -68.2078882 +1     7     6     5
  O     1.42169149 +1  104.1308347 +1  131.0593107 +1     8     7     6
  C     1.41932647 +1  113.9411053 +1 -157.5656619 +1     9     8     7
  C     1.53319570 +1  104.4816047 +1  163.7840406 +1    10     9     8
  O     1.41252051 +1  110.8393053 +1  -89.7185643 +1    11    10     9
  C     1.42465105 +1  113.8498803 +1   79.0620918 +1    12    11    10
  C     1.53014704 +1  104.8587856 +1 -164.9539869 +1    13    12    11
  O     1.42357541 +1  104.8367173 +1 -103.9032607 +1     1     2     3
  H     1.10304970 +1  112.2376151 +1  138.1487191 +1     1     2     3
  H     1.10677139 +1  111.5319496 +1   15.2343874 +1     1     2     3
  H     1.10650906 +1  111.4147295 +1  142.7138620 +1     2     1    15
  H     1.10390069 +1  111.1314645 +1   20.6496472 +1     2     1    15
  H     1.11050415 +1  101.9998873 +1  165.5854893 +1     4     3     2
  H     1.10180734 +1  110.3730306 +1   50.0897164 +1     4     3     2
  H     1.10451496 +1  112.5248946 +1  129.6253582 +1     5     4     3
  H     1.10508879 +1  111.2807161 +1    7.2903339 +1     5     4     3
  H     1.10656263 +1  101.5712063 +1  171.8097236 +1     7     6     5
  H     1.10640213 +1  110.4876445 +1   56.2340637 +1     7     6     5
  H     1.10637419 +1  111.1188765 +1   10.8215321 +1     8     7     6
  H     1.10200165 +1  112.8937130 +1 -112.3150566 +1     8     7     6
  H     1.10537701 +1  111.0016632 +1   43.8693526 +1    10     9     8
  H     1.10338137 +1  108.4334908 +1  -76.4784198 +1    10     9     8
  H     1.10649825 +1  111.4359611 +1  157.0455668 +1    11    10     9
  H     1.10483020 +1  111.3606503 +1   34.4943935 +1    11    10     9
  H     1.10305750 +1  108.0845380 +1   75.1222173 +1    13    12    11
  H     1.10670592 +1  110.7758113 +1  -44.7299240 +1    13    12    11
  H     1.10546999 +1  111.3793800 +1  -27.6624842 +1    14    13    12
  H     1.10669706 +1  111.6163459 +1 -150.3208966 +1    14    13    12