Accuracy
methylammonium ... methanol
172 methylammonium ... methanol
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Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -21.2 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 ... methanol
H=-21.225+"methylammonium ... methanol separated.mop" HR=D3H4_2011 HWT=5
C 0.68704149 +0 -0.02134844 +0 0.15824491 +0
N -0.79654818 +1 0.10561796 +0 0.03934461 +0
H -1.27024385 +0 -0.50964817 +1 0.69837315 +0
H -1.10395817 +0 1.05515811 +0 0.24167688 +0
H -1.11065840 +0 -0.14758418 +0 -0.93432428 +0
H 0.95899398 +0 -1.04475946 +0 -0.07063465 +0
H 0.99067827 +0 0.23570650 +0 1.16609746 +0
H 1.14463456 +0 0.65258776 +0 -0.55616711 +0
O -1.40750463 +0 -0.58509530 +0 -2.48901077 +0
C -1.06800563 +0 0.16139259 +0 -3.67402659 +0
H -1.99779792 +0 -1.30008529 +0 -2.74575565 +0
H -1.95333223 +0 0.60801700 +0 -4.11766485 +0
H -0.38815486 +0 0.94918950 +0 -3.36755434 +0
H -0.56684888 +0 -0.47548244 +0 -4.39711281 +0