Accuracy

11-decyl heneicosane    426 11-Decyl heneicosane

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    #  Species Formula
   416 TetraphenylmethaneC25H20
   417 9,9'-Bi-9H-fluoreneC26H18
   418 1,1,1,2-TetraphenylethaneC26H22
   419 1,1,2,2-TetraphenylethaneC26H22
   420 Pentacyclo hexacosa nonaneC26H26
   421 2,3-Dimethyl-2,3-bis(4-t-butylphenyl)butaneC26H38
   422 11-n-butyl docosaneC26H54
   423 5-n-butyl docosaneC26H54
   424 9,9'-Dimethyl-9,9'-bifluoreneC28H22
   425 1,1-Diphenyl-1,1-bicyclooctylC28H38
   426 11-Decyl heneicosane C31H64
   427 2,4,5,7-Tetramethyl-4,5-bis(4-t-butylphenyl) octaneC32H50
   428 DotriacontaneC32H66
   429 4,5-Dipropyl-4,5-bis(4-t-butylphenyl) octaneC34H54
   430 5,6-Dibutyl-5,6-bis(4-t-butylphenyl) decaneC38H62
   431 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decaneC38H62
   432 Nitrogen, cationN
   433 Nitrogen, atomN
   434 AmidogenH2N
   435 AmmoniaH3N
   436 Ammonia (Geo)H3N


ΔHf: -167.3 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.
  
 INT PM7
11-Decyl heneicosane
 H=-167.3 HR=NIST
  C     0.00000000 +1   0.00000000 +1   0.00000000 +1
  C     1.54143051 +1   0.00000000 +1   0.00000000 +1
  C     2.10810174 +1   1.42530799 +1   0.00000000 +1
  C     3.64090018 +1   1.39579543 +1   0.05368685 +1
  C     4.21042907 +1   2.82003769 +1   0.03518503 +1
  C     5.74267771 +1   2.79140646 +1   0.10093884 +1
  C     6.31312270 +1   4.21531338 +1   0.07983873 +1
  C     7.84519395 +1   4.18596450 +1   0.15177826 +1
  C     8.41647373 +1   5.60936226 +1   0.12980476 +1
  C     9.94899244 +1   5.58156968 +1   0.20636242 +1
  C    10.52176803 +1   6.99884087 +1   0.18387675 +1
  C    -0.53210309 +1   0.35068794 +1   1.40314306 +1
  C    -2.00258467 +1   0.78449303 +1   1.35728399 +1
  C    -2.52023424 +1   1.09041451 +1   2.76853604 +1
  C    -3.98985380 +1   1.52761215 +1   2.72106598 +1
  C    -4.51052709 +1   1.83531899 +1   4.13071694 +1
  C    -5.98290542 +1   2.26324565 +1   4.08232101 +1
  C    -6.50331403 +1   2.57678594 +1   5.49090628 +1
  C    -7.97764117 +1   2.99739008 +1   5.44229598 +1
  C    -8.49948196 +1   3.31661344 +1   6.84976874 +1
  C    -9.96993318 +1   3.73251090 +1   6.80428319 +1
  C    -0.52622594 +1  -1.38220037 +1  -0.43465807 +1
  C    -0.40592984 +1  -1.58275123 +1  -1.95063365 +1
  C    -0.88139862 +1  -2.98598708 +1  -2.34792601 +1
  C    -0.78354031 +1  -3.18071116 +1  -3.86638821 +1
  C    -1.24518519 +1  -4.58881726 +1  -4.26248802 +1
  C    -1.15252884 +1  -4.78269360 +1  -5.78143080 +1
  C    -1.60704039 +1  -6.19373461 +1  -6.17584350 +1
  C    -1.51719414 +1  -6.38759394 +1  -7.69480212 +1
  C    -1.96619041 +1  -7.80082793 +1  -8.09016987 +1
  C    -1.87991463 +1  -7.99670550 +1  -9.60390512 +1
  H    -0.36003537 +1   0.76696864 +1  -0.72524040 +1
  H     1.91694056 +1  -0.54434277 +1  -0.88746723 +1
  H     1.91785691 +1  -0.56196266 +1   0.87405478 +1
  H     1.71129031 +1   1.99715782 +1   0.85948511 +1
  H     1.77023692 +1   1.96587179 +1  -0.90372361 +1
  H     4.03898642 +1   0.81737939 +1  -0.80055637 +1
  H     3.97750107 +1   0.86485311 +1   0.96344208 +1
  H     3.80576518 +1   3.40093996 +1   0.88475839 +1
  H     3.88028793 +1   3.34802028 +1  -0.87863227 +1
  H     6.14725146 +1   2.20897005 +1  -0.74756605 +1
  H     6.07266241 +1   2.26476955 +1   1.01563344 +1
  H     5.90548972 +1   4.79931894 +1   0.92581591 +1
  H     5.98704255 +1   4.74040134 +1  -0.83709392 +1
  H     8.25252465 +1   3.60132125 +1  -0.69388212 +1
  H     8.17096054 +1   3.66106576 +1   1.06896342 +1
  H     8.00696712 +1   6.19581397 +1   0.97302519 +1
  H     8.09380307 +1   6.13364483 +1  -0.78866128 +1
  H    10.35885914 +1   4.99480246 +1  -0.63715564 +1
  H    10.27202772 +1   5.05769226 +1   1.12561067 +1
  H    11.61568331 +1   6.98574659 +1   0.24127348 +1
  H    10.15455542 +1   7.59261449 +1   1.02828233 +1
  H    10.24633647 +1   7.52735938 +1  -0.73547448 +1
  H     0.07641217 +1   1.16402901 +1   1.84308652 +1
  H    -0.40724611 +1  -0.51302511 +1   2.08094609 +1
  H    -2.62164412 +1  -0.00477173 +1   0.89133783 +1
  H    -2.11336586 +1   1.67520297 +1   0.71113864 +1
  H    -1.90388897 +1   1.88078005 +1   3.23563018 +1
  H    -2.41114228 +1   0.19879879 +1   3.41342603 +1
  H    -4.60517662 +1   0.73572720 +1   2.25484984 +1
  H    -4.09950744 +1   2.41778228 +1   2.07422081 +1
  H    -3.89944254 +1   2.63154878 +1   4.59491049 +1
  H    -4.39573685 +1   0.94704973 +1   4.77928205 +1
  H    -6.59409180 +1   1.46475706 +1   3.62209890 +1
  H    -6.09886014 +1   3.14865988 +1   3.43008289 +1
  H    -5.89524934 +1   3.37865902 +1   5.94934710 +1
  H    -6.38310026 +1   1.69278202 +1   6.14429467 +1
  H    -8.58639099 +1   2.19428560 +1   4.98725736 +1
  H    -8.09950993 +1   3.87859281 +1   4.78563129 +1
  H    -7.89250094 +1   4.12210862 +1   7.30432513 +1
  H    -8.37601116 +1   2.43563830 +1   7.50738372 +1
  H   -10.34783711 +1   3.96532996 +1   7.80581784 +1
  H   -10.59875126 +1   2.93574640 +1   6.39186875 +1
  H   -10.11522707 +1   4.62254853 +1   6.18208977 +1
  H    -1.58589191 +1  -1.49239818 +1  -0.13448333 +1
  H     0.01844494 +1  -2.17927343 +1   0.10310859 +1
  H     0.63991372 +1  -1.43197794 +1  -2.27712074 +1
  H    -1.00095303 +1  -0.81608500 +1  -2.48100086 +1
  H    -1.92331562 +1  -3.14252880 +1  -2.01230928 +1
  H    -0.27633617 +1  -3.75188103 +1  -1.82805565 +1
  H     0.25642695 +1  -3.01429991 +1  -4.20355184 +1
  H    -1.39663346 +1  -2.42102708 +1  -4.38585518 +1
  H    -2.28392644 +1  -4.75659381 +1  -3.92230989 +1
  H    -0.62982930 +1  -5.34852851 +1  -3.74560909 +1
  H    -0.11507045 +1  -4.60982447 +1  -6.12295014 +1
  H    -1.77257271 +1  -4.02688725 +1  -6.29828227 +1
  H    -2.64390476 +1  -6.36710833 +1  -5.83275020 +1
  H    -0.98587389 +1  -6.94945772 +1  -5.66012675 +1
  H    -0.48171568 +1  -6.21020409 +1  -8.03964107 +1
  H    -2.14139860 +1  -5.63497378 +1  -8.21106059 +1
  H    -3.00185384 +1  -7.97890860 +1  -7.74446850 +1
  H    -1.34068810 +1  -8.55412140 +1  -7.57524284 +1
  H    -2.19604012 +1  -9.00518675 +1  -9.89216487 +1
  H    -0.85636322 +1  -7.85550154 +1  -9.96833360 +1
  H    -2.52074180 +1  -7.28560484 +1 -10.13686551 +1