Accuracy
methylammonium ... water
174 methylammonium ... water
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Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -18.5 kcal/mol, REF: Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
0SCF HTML CHARGE=1
methylammonium ... water
H=-18.514+"methylammonium ... water separated.mop" HR=D3H4_2011 HWT=5
C 0.72991035 +0 -0.06779154 +0 0.05709537 +0
N -0.75704401 +1 0.08789796 +0 0.04127277 +0
H -1.20081291 +0 -0.56923564 +1 0.68077065 +0
H -1.03350894 +0 1.02413570 +0 0.33244061 +0
H -1.13787931 +0 -0.08165846 +0 -0.91629350 +0
H 1.15525561 +0 0.65732178 +0 -0.62631937 +0
H 1.09466501 +0 0.10256021 +0 1.06298561 +0
H 0.96927561 +0 -1.07291786 +0 -0.26848364 +0
O -1.62190238 +0 -0.40593841 +0 -2.51877456 +0
H -1.42484981 +0 0.10389066 +0 -3.31016280 +0
H -2.25360838 +0 -1.07052046 +0 -2.80952910 +0