Accuracy

12-crown-4   1390 12-Crown-4

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    #  Species Formula
  1380 Dimethyl malonateC5H8O4
  1381 Ethylmalonic acidC5H8O4
  1382 Methylene diacetateC5H8O4
  1383 TetramethoxymethaneC5H12O4
  1384 1,1-DiacetoxyethaneC6H10O4
  1385 Dimethyl methylmalonateC6H10O4
  1386 2,2-DiacetoxypropaneC7H12O4
  1387 Diethyl malonateC7H12O4
  1388 Dimethyl dimethylmalonateC7H12O4
  1389 3,5,7,9-TetraoxyundecaneC7H16O4
  1390 12-Crown-4 C8H16O4
  1391 5,8-Dihydroxy-1,4-naphthalenedioneC10H6O4
  1392 Dimethyl isophthalateC10H10O4
  1393 Dimethyl phthalateC10H10O4
  1394 1-(tert-Butyldioxy)-3-propoxy-2-propanolC10H22O4
  1395 Be(II)O4 (ACACBE02) (Geo)H14BeC10O4
  1396 Be(II)O4 (ACACBE02)H14BeC10O4
  1397 Benzal diacetateC11H12O4
  1398 1-Butoxy-1-tert-butyldioxy-2-propanolC11H24O4
  1399 1,1-Ethanediol, 2-phenyl-, diacetateC12H14O4
  1400 Benzyl diacetateC12H14O4


ΔHf: -150.8 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
12-Crown-4
 H=-150.8 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53005651 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.42246154 +1  104.9534577 +1    0.0000000 +0     2     1     0
  C     1.42258760 +1  113.0935127 +1 -160.5432148 +1     3     2     1
  C     1.53001245 +1  104.9425697 +1  160.6578128 +1     4     3     2
  O     1.41369326 +1  112.0410140 +1 -105.3939731 +1     5     4     3
  C     1.41775504 +1  115.3498333 +1   68.6347485 +1     6     5     4
  C     1.53403218 +1  108.5339559 +1 -111.6215312 +1     7     6     5
  O     1.41335853 +1  112.0880742 +1   96.3032611 +1     8     7     6
  C     1.41330518 +1  116.5143389 +1   91.1452076 +1     9     8     7
  C     1.53398867 +1  112.2015652 +1  -89.7277968 +1    10     9     8
  O     1.41372029 +1  112.0263800 +1  106.0086803 +1     1     2     3
  H     1.10595307 +1  111.2974381 +1  -18.0214372 +1     1     2     3
  H     1.10679362 +1  111.9307722 +1 -140.7665881 +1     1     2     3
  H     1.10678052 +1  110.7923075 +1  -14.0571635 +1     2     1    12
  H     1.10294285 +1  112.4345837 +1 -137.0360323 +1     2     1    12
  H     1.10678524 +1  111.1624063 +1   40.8404160 +1     4     3     2
  H     1.10294800 +1  107.8070612 +1  -79.3048962 +1     4     3     2
  H     1.10682639 +1  111.9147702 +1  141.3469256 +1     5     4     3
  H     1.10598181 +1  111.2797858 +1   18.6034745 +1     5     4     3
  H     1.10616178 +1  103.3116192 +1  129.8771353 +1     7     6     5
  H     1.10361755 +1  111.9508209 +1   12.2073317 +1     7     6     5
  H     1.11136085 +1  110.1809908 +1  -16.4430469 +1     8     7     6
  H     1.10145947 +1  111.8499215 +1 -137.7824193 +1     8     7     6
  H     1.11136644 +1  101.8630594 +1  152.4424599 +1    10     9     8
  H     1.10150812 +1  111.2783269 +1   36.4904551 +1    10     9     8
  H     1.10621576 +1  111.5652690 +1  149.5908578 +1    11    10     9
  H     1.10354570 +1  111.7662912 +1   26.7109042 +1    11    10     9