Accuracy
imidazolium ... formaldehyde
693 imidazolium ... formaldehyde
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Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -16.4 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
imidazolium ... formaldehyde
H=-16.41+"imidazolium ... formaldehyde separated.mop" HR=D3H4_2011 HWT=5
C 4.99208032 +0 5.50220631 +0 0.46029454 +0
C 4.14293202 +1 5.06405262 +0 1.44042207 +0
N 4.04834841 +0 6.07185898 +1 2.36321761 +0
C 4.80320007 +0 7.10189830 +0 1.98522515 +0
N 5.38173267 +0 6.76440959 +0 0.82784532 +0
H 3.61568985 +0 4.13428861 +0 1.54267862 +0
H 3.49053833 +0 6.07356456 +0 3.22999067 +0
H 5.33689136 +0 5.02885282 +0 -0.43980753 +0
H 6.01177903 +0 7.36000719 +0 0.30999793 +0
H 4.92300052 +0 8.02987078 +0 2.51337489 +0
O 2.77122722 +0 6.58101558 +0 4.73684675 +0
C 2.03158567 +0 6.29067528 +0 5.66064729 +0
H 1.52161502 +0 5.32249198 +0 5.70617636 +0
H 1.85380553 +0 6.99495039 +0 6.47878534 +0