Accuracy

38 HCl - methylamine    157 38 HCl - methylamine

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

   

    #  Species Formula
   147 28 Iodomethane - benzeneC7H9I
   148 29 Trifluorobromomethane - benzeneC7H6F3Br
   149 30 Trifluoroiodomethane - benzeneC7H6F3I
   150 31 Trifluoromethanol - waterCH3O2F3
   151 32 Trichloromethanol - waterCH3O2Cl3
   152 33 HF - methanolCH5OF
   153 34 HCl - methanolCH5OCl
   154 35 HBr - methanolCH5OBr
   155 36 HI - methanolCH5OI
   156 37 HF - methylamineCH6NF
   157 38 HCl - methylamine CH6NCl
   158 39 methanol - fluoromethaneC2H7OF
   159 40 methanol - chloromethaneC2H7OCl
   160 acetate ... methanolC3H7O3
   161 acetate ... methylamineC3H8NO2
   162 acetate ... waterC2H5O3
   163 guanidinium ... formaldehydeC2H8N3O
   164 guanidinium ... methanolC2H10N3O
   165 guanidinium ... methylamineC2H11N4
   166 guanidinium ... waterCH8N3O
   167 imidazolium ... formaldehydeC4H7N2O


ΔHf: -12.7 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
38 HCl - methylamine
 H=-12.688+"38 HCl - methylamine separated.mop" HR=CCSDT HWT=5
 Cl    -0.10720938 +0  -0.16731054 +0  -0.02002310 +0
  H     0.00953022 +1   0.00812889 +0   1.30481783 +0
  N     0.06550543 +0   0.06921223 +1   2.98051672 +0
  H     1.01717492 +0   0.09066058 +0   3.32327264 +0
  C    -0.62166637 +0  -1.14310424 +0   3.44104549 +0
  H    -1.63539914 +0  -1.14050195 +0   3.05001760 +0
  H    -0.11316007 +0  -2.01096036 +0   3.03017520 +0
  H    -0.66368153 +0  -1.24129123 +0   4.52584768 +0
  H    -0.39213175 +0   0.89626539 +0   3.34130853 +0