Accuracy

2-methoxy-3,3-dimethylbutanenitrile    971 2-Methoxy-3,3-dimethylbutanenitrile

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    #  Species Formula
   961 p-Amino phenolC6H7NO
   962 Trimethyl isoxazoleC6H9NO
   963 CaprolactamC6H11NO
   964 Cyclohexanone oximeC6H11NO
   965 N,N-Diethyl acetamideC6H13NO
   966 N,N-DimethylbutyramineC6H13NO
   967 BenzoxazoleC7H5NO
   968 IsocyanatobenzeneC7H5NO
   969 BenzamideC7H7NO
   970 N,N-Dimethylamino-2,4-pentadiene-5-alC7H11NO
   971 2-Methoxy-3,3-dimethylbutanenitrile C7H13NO
   972 N,N-DiethylaminoacetoneC7H15NO
   973 N,N-Dimethyl-tert-butylcarboxamideC7H15NO
   974 alpha-oxo BenzeneacetonitrileC8H5NO
   975 1,3-dimethyl-2-nitroso-benzeneC8H9NO
   976 N-methyl-N-phenyl formamideC8H9NO
   977 Octanone-1-oximeC8H17NO
   978 Octanone-2-oximeC8H17NO
   979 Octanone-3-oximeC8H17NO
   980 Octanone-4-oximeC8H17NO
   981 2(1H)-QuinolinoneC9H7NO


ΔHf: -39.4 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
2-Methoxy-3,3-dimethylbutanenitrile
 H=-39.4 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53025466 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.56191481 +1  109.9003294 +1    0.0000000 +0     2     1     0
  C     1.46221651 +1  111.6437925 +1  -60.7696724 +1     3     2     1
  N     1.15574435 +1  144.8563717 +1 -179.7103802 +1     4     2     3
  O     1.41723440 +1  104.7366002 +1  118.6748361 +1     3     2     4
  C     1.41670286 +1  113.6518879 +1  167.7481405 +1     6     3     2
  C     1.53286116 +1  110.0289177 +1  118.7485971 +1     2     1     3
  C     1.53331466 +1  110.3661017 +1  121.4831479 +1     2     1     8
  H     1.09856615 +1  111.2425102 +1  -55.5867641 +1     1     2     3
  H     1.09651396 +1  111.8329311 +1  119.5171153 +1     1     2    10
  H     1.09502712 +1  111.4706584 +1  120.4194715 +1     1     2    11
  H     1.11914647 +1  110.1959327 +1  118.2656001 +1     3     2     6
  H     1.09376350 +1  111.3801198 +1  -61.3271646 +1     7     6     3
  H     1.09505446 +1  111.2451171 +1  124.4026399 +1     7     6    14
  H     1.09858423 +1  102.6393912 +1  117.6098610 +1     7     6    15
  H     1.09436406 +1  112.0339417 +1  177.4315158 +1     8     2     1
  H     1.09839307 +1  111.1752936 +1  120.4361847 +1     8     2    17
  H     1.09593708 +1  111.1357813 +1  119.3412524 +1     8     2    18
  H     1.09678097 +1  111.9341598 +1   56.9422410 +1     9     2     1
  H     1.09462057 +1  112.0631430 +1  121.2486789 +1     9     2    20
  H     1.09709518 +1  110.7260599 +1  119.6499903 +1     9     2    21