Accuracy
benzylamine
520 Benzylamine
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Geometry predicted using PM7
ΔHf: 21.0 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
Benzylamine
H=20.98 HR=NIST
C 0.00040616 +1 0.00206634 +1 0.00182880 +1
C -1.09919730 +1 -0.82106032 +1 -0.24538656 +1
C -1.00155640 +1 -2.19529048 +1 -0.03895220 +1
C 0.19388555 +1 -2.75025528 +1 0.41500631 +1
C 1.29272837 +1 -1.92888736 +1 0.66094341 +1
C 1.19703849 +1 -0.55410677 +1 0.45488247 +1
C -0.11356732 +1 1.49225900 +1 -0.19943854 +1
N -0.61424390 +1 2.19743815 +1 0.99835605 +1
H -2.03286842 +1 -0.39148813 +1 -0.60267202 +1
H -1.85909925 +1 -2.83621358 +1 -0.23383430 +1
H 0.26994101 +1 -3.82436726 +1 0.57475673 +1
H 2.22741018 +1 -2.36161936 +1 1.01302145 +1
H 2.05811319 +1 0.08323431 +1 0.64452134 +1
H 0.87041284 +1 1.93722066 +1 -0.47451641 +1
H -0.79513417 +1 1.72973057 +1 -1.04899788 +1
H -1.53356371 +1 1.87687008 +1 1.25861712 +1
H 0.00067106 +1 2.06911188 +1 1.78645043 +1