PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

n,n-diethyl acetamide    967 N,N-Diethyl acetamide

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    #  Species Formula
   957 3-Hydroxy-2-methylpyridineC6H7NO
   958 3-Hydroxy-6-methylpyridineC6H7NO
   959 4-Hydroxy-2-methylpyridineC6H7NO
   960 6-Methyl-2(1H)-pyridinoneC6H7NO
   961 m-Amino phenolC6H7NO
   962 o-Amino phenolC6H7NO
   963 p-Amino phenolC6H7NO
   964 Trimethyl isoxazoleC6H9NO
   965 CaprolactamC6H11NO
   966 Cyclohexanone oximeC6H11NO
   967 N,N-Diethyl acetamide C6H13NO
   968 N,N-DimethylbutyramineC6H13NO
   969 BenzoxazoleC7H5NO
   970 IsocyanatobenzeneC7H5NO
   971 BenzamideC7H7NO
   972 N,N-Dimethylamino-2,4-pentadiene-5-alC7H11NO
   973 2-Methoxy-3,3-dimethylbutanenitrileC7H13NO
   974 N,N-DiethylaminoacetoneC7H15NO
   975 N,N-Dimethyl-tert-butylcarboxamideC7H15NO
   976 alpha-oxo BenzeneacetonitrileC8H5NO
   977 1,3-dimethyl-2-nitroso-benzeneC8H9NO


ΔHf: -68.6 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
N,N-Diethyl acetamide
 H=-68.64 HR=NIST
  N    -0.04297018 +1   0.00790164 +1   0.02441866 +1
  C     1.05134444 +1  -0.04015595 +1   0.87920598 +1
  C     1.78351392 +1   1.23617761 +1   1.19310889 +1
  C    -0.75059059 +1   1.25690609 +1  -0.26587664 +1
  C    -1.60666039 +1   1.76499985 +1   0.90195621 +1
  C    -0.76228640 +1  -1.25229328 +1  -0.22682751 +1
  C    -1.64780643 +1  -1.69442815 +1   0.94356227 +1
  O     1.44257742 +1  -1.11651589 +1   1.28866529 +1
  H     2.14109642 +1   1.73609811 +1   0.28361849 +1
  H     1.16531532 +1   1.94396991 +1   1.75690327 +1
  H     2.66821154 +1   1.00924091 +1   1.81202745 +1
  H    -0.00606956 +1   2.03348882 +1  -0.55784980 +1
  H    -1.39402654 +1   1.10093138 +1  -1.16297417 +1
  H    -2.39746927 +1   1.05130460 +1   1.16067826 +1
  H    -1.01045386 +1   1.92299477 +1   1.80723854 +1
  H    -2.08997475 +1   2.71478022 +1   0.64913228 +1
  H    -1.36552419 +1  -1.14203226 +1  -1.15350204 +1
  H     0.00337373 +1  -2.04413265 +1  -0.42888596 +1
  H    -1.05089765 +1  -1.79269267 +1   1.86230852 +1
  H    -2.45491756 +1  -0.98488375 +1   1.14261415 +1
  H    -2.09948263 +1  -2.67209032 +1   0.74378004 +1