Accuracy

1-butoxy-3-tert-butyl-2-propanol   1331 1-Butoxy-3-tert-butyl-2-propanol

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    #  Species Formula
  1321 Acetic anhydrideC4H6O3
  1322 TrimethoxymethaneC4H10O3
  1323 2,5,8-TrioxanonaneC6H14O3
  1324 TriethoxyboraneH15BC6O3
  1325 m-Salicylic acidC7H6O3
  1326 o-Salicylic acidC7H6O3
  1327 p-Salicylic acidC7H6O3
  1328 2,3-Butanediol, 2,3-dimethyl-, monoformateC7H14O3
  1329 Trimethoxymethyl benzeneC10H14O3
  1330 1-tert-Butoxy-3-propoxy-2-propanolC10H22O3
  1331 1-Butoxy-3-tert-butyl-2-propanol C11H24O3
  1332 Benzoic acid, anhydrideC14H10O3
  1333 Nitrate radicalNO3
  1334 Nitrate anionNO3
  1335 Nitric acid (Geo)HNO3
  1336 Nitric acidHNO3
  1337 Methyl nitrateCH3NO3
  1338 Oxamic acidC2H3NO3
  1339 Ethyl nitrateC2H5NO3
  1340 SerineC3H7NO3
  1341 2-NitrofuranC4H3NO3


ΔHf: -172.8 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
1-Butoxy-3-tert-butyl-2-propanol
 H=-172.8 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52868721 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53138016 +1  110.7058892 +1    0.0000000 +0     2     1     0
  C     1.53151504 +1  110.4051453 +1 -179.3535305 +1     3     2     1
  O     1.42220236 +1  103.8723462 +1 -179.5823685 +1     4     3     2
  C     1.42159223 +1  112.9775703 +1  179.2863006 +1     5     4     3
  C     1.53386053 +1  103.4216916 +1  178.3032591 +1     6     5     4
  O     1.41690757 +1  110.3542352 +1  -74.6567209 +1     7     6     5
  C     1.54193761 +1  110.8098561 +1 -114.7213606 +1     7     6     8
  O     1.40778530 +1  108.2484061 +1  -52.5305445 +1     9     7     6
  C     1.42388198 +1  118.2910175 +1 -103.2376758 +1    10     9     7
  C     1.53237911 +1  109.9110493 +1  -65.9212043 +1    11    10     9
  C     1.52958244 +1  111.6233075 +1  124.3325631 +1    11    10    12
  C     1.53705415 +1  101.2615367 +1  118.1724067 +1    11    10    13
  H     1.09602700 +1  111.4431634 +1   60.2064001 +1     1     2     3
  H     1.09596417 +1  111.4593928 +1 -120.0325933 +1     1     2    15
  H     1.09554110 +1  111.2699565 +1 -119.9919219 +1     1     2    16
  H     1.10691801 +1  109.8333999 +1 -121.8860824 +1     2     1     3
  H     1.10677209 +1  109.8851279 +1 -116.2040246 +1     2     1    18
  H     1.10679188 +1  110.7265437 +1  121.7900919 +1     3     2     4
  H     1.10712333 +1  110.7512725 +1  116.4817599 +1     3     2    20
  H     1.10347047 +1  112.1157642 +1 -118.1124826 +1     4     3     5
  H     1.10361124 +1  112.0628315 +1 -123.8096426 +1     4     3    22
  H     1.10243781 +1  110.0605794 +1 -119.5750516 +1     6     5     7
  H     1.10462684 +1  110.1369048 +1 -121.2751630 +1     6     5    24
  H     1.11129568 +1  111.0791581 +1 -125.8291442 +1     7     6     9
  H     0.98003675 +1  109.5373339 +1   48.2576974 +1     8     7     6
  H     1.10037979 +1  111.2497046 +1 -125.5961870 +1     9     7    10
  H     1.10753412 +1  111.0183429 +1 -120.9991304 +1     9     7    28
  H     1.09691873 +1  110.5115716 +1  -45.8402777 +1    12    11    10
  H     1.09430518 +1  112.1463868 +1  119.8296267 +1    12    11    30
  H     1.09404031 +1  111.2660449 +1  120.4381158 +1    12    11    31
  H     1.09713952 +1  110.8590581 +1   51.4995876 +1    13    11    10
  H     1.09501394 +1  112.0130069 +1 -120.2094706 +1    13    11    33
  H     1.09479956 +1  111.1521788 +1 -120.1653489 +1    13    11    34
  H     1.09638677 +1  110.8782106 +1  -60.0078738 +1    14    11    10
  H     1.09659413 +1  110.8255488 +1  118.6311031 +1    14    11    36
  H     1.09244410 +1  111.3184634 +1  120.6569473 +1    14    11    37