Accuracy
guanidinium ... formaldehyde
689 guanidinium ... formaldehyde
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Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -18.1 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
guanidinium ... formaldehyde
H=-18.09+"guanidinium ... formaldehyde separated.mop" HR=D3H4_2011 HWT=5
C -0.10508166 +0 0.28241374 +0 0.02207444 +0
N -0.78522759 +1 -0.82065229 +0 -0.28899051 +0
N -0.74558548 +0 1.42157001 +1 0.25324690 +0
N 1.21925026 +0 0.25214616 +0 0.10345875 +0
H -1.74403740 +0 1.47998785 +0 0.17268590 +0
H 1.72746229 +0 -0.60125962 +0 -0.03882265 +0
H 1.72147008 +0 1.09714476 +0 0.33949754 +0
H -0.21608921 +0 2.24929233 +0 0.49100211 +0
H -1.78747235 +0 -0.81509240 +0 -0.34030099 +0
H -0.31236522 +0 -1.68483458 +0 -0.48088385 +0
O 1.60256910 +0 3.05086868 +0 0.80867898 +0
C 2.22422638 +0 4.05874921 +0 1.09929725 +0
H 3.31595244 +0 4.05009215 +0 1.17525940 +0
H 1.71117846 +0 5.00565591 +0 1.29391772 +0