PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
n-methylglycine
1220 N-Methylglycine
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ΔHf: -87.8 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
N-Methylglycine
H=-87.772 HR=NIST
C 0.02517431 +1 -0.01743258 +1 0.13579253 +1
N 1.43766968 +1 -0.04028520 +1 -0.28699341 +1
C 2.04394848 +1 1.30696744 +1 -0.20761677 +1
C 3.54369418 +1 1.15855143 +1 -0.20889715 +1
O 4.11810744 +1 2.21539965 +1 -0.83499396 +1
O 4.20728952 +1 0.28516778 +1 0.28224621 +1
H -0.38053117 +1 -1.04112667 +1 0.05079354 +1
H -0.55491599 +1 0.61602797 +1 -0.55659965 +1
H -0.14401830 +1 0.33879903 +1 1.16254285 +1
H 1.97738874 +1 -0.71073948 +1 0.26703512 +1
H 1.74201223 +1 1.89570001 +1 0.68982044 +1
H 1.70239921 +1 1.88905456 +1 -1.10079058 +1
H 5.10635400 +1 2.16787983 +1 -0.86920290 +1