Accuracy

benzyl diacetate   1400 Benzyl diacetate

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    #  Species Formula
  1390 12-Crown-4C8H16O4
  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 diacetate C12H14O4
  1401 Be(II)O4(2-) (YAMBOD) (Geo)H8BeC12O4
  1402 Be(II)O4(2-) (YAMBOD)H8BeC12O4
  1403 1,4,9,10-AnthracenetetroneC14H6O4
  1404 1,4-Dihydroxy-9,10-anthracenedioneC14H8O4
  1405 Diphenyl oxalateC14H10O4
  1406 Dimethyl naphthalene-2,6-dicarboxylateC14H12O4
  1407 Li(I)2(Cp)2O4 (DANPOX) (Geo)C16H26Li2O4
  1408 Li(I)2(Cp)2O4 (DANPOX)C16H26Li2O4
  1409 p-Diacetylbenzene diethyl ketalC18H30O4
  1410 Aspartic acidC4H7NO4


ΔHf: -161.8 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
Benzyl diacetate
 H=-161.77 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39372541 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39336683 +1  120.1243932 +1    0.0000000 +0     2     1     0
  C     1.39583763 +1  119.9035446 +1   -0.0573414 +1     3     2     1
  C     1.39662178 +1  119.9643912 +1   -0.1063105 +1     4     3     2
  C     1.39416437 +1  119.9656635 +1    0.1517547 +1     1     2     3
  C     1.49535246 +1  120.2436951 +1 -178.9504168 +1     4     3     5
  C     1.53048151 +1  109.3553277 +1   93.5245710 +1     7     4     3
  O     1.42374873 +1  104.6131617 +1   88.4993465 +1     8     7     4
  C     1.36054578 +1  118.3168340 +1  173.8497173 +1     9     8     7
  C     1.49000920 +1  109.1801255 +1 -179.7537848 +1    10     9     8
  O     1.41636993 +1  107.5575168 +1  112.2408744 +1     8     7     9
  C     1.37012273 +1  118.2886717 +1  126.6451553 +1    12     8     7
  C     1.48655705 +1  109.2320593 +1  165.1915014 +1    13    12     8
  O     1.20163338 +1  122.7364750 +1 -179.9911396 +1    10     9    11
  O     1.20002558 +1  121.9111029 +1  177.3364203 +1    13    12    14
  H     1.08741934 +1  120.0348433 +1  179.8723139 +1     1     2     6
  H     1.08820627 +1  119.9856788 +1 -179.8682850 +1     2     1     3
  H     1.08856107 +1  119.9193766 +1 -179.5646568 +1     3     2     4
  H     1.08870387 +1  119.8435599 +1 -179.3375059 +1     5     4     3
  H     1.08771883 +1  119.9920184 +1  179.8183617 +1     6     1     2
  H     1.11225251 +1  111.5009646 +1  121.8432571 +1     7     4     8
  H     1.11101981 +1  111.8748056 +1  116.8797237 +1     7     4    22
  H     1.11087078 +1  116.1279003 +1  126.7998843 +1     8     7    12
  H     1.10155565 +1  111.0774050 +1   65.9373726 +1    11    10     9
  H     1.10113191 +1  110.8788695 +1  120.1394899 +1    11    10    25
  H     1.10159947 +1  111.6054383 +1  120.6599626 +1    11    10    26
  H     1.10545778 +1  109.6610329 +1  -95.5087119 +1    14    13    12
  H     1.10079278 +1  112.6512455 +1  119.0639621 +1    14    13    28
  H     1.10061747 +1  111.1256711 +1  122.1189793 +1    14    13    29