acetate ... methylamine

acetate ... methylamine 161 acetate ... methylamine

(Previous) (Back) (Next) Geometry from the BEGDB - the Benchmark Energy and Geometry Database

#	Species	Formula
151	32 Trichloromethanol - water	CH3O2Cl3
152	33 HF - methanol	CH5OF
153	34 HCl - methanol	CH5OCl
154	35 HBr - methanol	CH5OBr
155	36 HI - methanol	CH5OI
156	37 HF - methylamine	CH6NF
157	38 HCl - methylamine	CH6NCl
158	39 methanol - fluoromethane	C2H7OF
159	40 methanol - chloromethane	C2H7OCl
160	acetate ... methanol	C3H7O3
161	acetate ... methylamine	C3H8NO2
162	acetate ... water	C2H5O3
163	guanidinium ... formaldehyde	C2H8N3O
164	guanidinium ... methanol	C2H10N3O
165	guanidinium ... methylamine	C2H11N4
166	guanidinium ... water	CH8N3O
167	imidazolium ... formaldehyde	C4H7N2O
168	imidazolium ... methanol	C4H9N2O
169	imidazolium ... methylamine	C4H10N3
170	imidazolium ... water	C3H7N2O
171	methylammonium ... formaldehyde	C2H8NO

ΔH_f: -11.5 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
acetate ... methylamine
 H=-11.455+"acetate ... methylamine separated.mop" HR=D3H4_2011 HWT=5
  C    -1.06768110 +0  -0.27109820 +0   0.09842559 +0
  C     0.36187142 +1   0.29056928 +0  -0.10373726 +0
  O     1.27984586 +0  -0.56299305 +1  -0.08953172 +0
  O     0.45101853 +0   1.53834727 +0  -0.25890366 +0
  H    -1.27422645 +0  -1.01724782 +0  -0.66962068 +0
  H    -1.12200511 +0  -0.78158554 +0   1.06082504 +0
  H    -1.81905173 +0   0.51532151 +0   0.05834230 +0
  H     2.35859157 +0   2.03203692 +0  -0.57705956 +0
  N     3.32523467 +0   2.37822627 +0  -0.61891507 +0
  C     4.20376441 +0   1.27223890 +0  -0.24413077 +0
  H     5.24763405 +0   1.59682813 +0  -0.26489113 +0
  H     3.99794458 +0   0.83107578 +0   0.73603854 +0
  H     4.08882842 +0   0.47112834 +0  -0.97024314 +0
  H     3.36656589 +0   3.07376722 +0   0.11694352 +0