%nprocshared=12
%mem=20000MB
#p b3lyp 6-31+g(d,p) opt freq scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3 nosymm

Hemiaminal

0 1
 C	 2.339156000	 1.067409000	 0.127165000
 C	 0.990375000	 1.199206000	 0.473997000
 C	 0.112622000	 0.116507000	 0.338524000
 C	 0.604069000	-1.106997000	-0.139491000
 C	 1.950413000	-1.240011000	-0.490449000
 C	 2.821950000	-0.152444000	-0.358422000
 H	 0.616574000	 2.149508000	 0.848034000
 H	-0.069958000	-1.954254000	-0.227508000
 H	 3.869446000	-0.256550000	-0.627644000
 N	-2.133703000	 0.414886000	-0.519980000
 C	-3.561425000	 0.735480000	-0.389505000
 H	-3.659469000	 1.474735000	 0.415535000
 H	-3.873417000	 1.237984000	-1.315036000
 H	-1.979268000	-0.369866000	-1.149438000
 H	-1.286869000	-0.922149000	 2.263413000
 C	-1.362204000	 0.273460000	 0.678226000
 H	-1.504266000	 1.184842000	 1.274300000
 O	-1.832886000	-0.859248000	 1.463074000
 C	-4.505679000	-0.448466000	-0.128863000
 H	-4.218224000	-0.940827000	 0.806050000
 H	-4.372190000	-1.189119000	-0.931593000
 H	 3.011101000	 1.914118000	 0.238289000
 H	 2.320211000	-2.191865000	-0.862245000
 C	-5.977135000	-0.020450000	-0.070953000
 H	-6.246403000	 0.491203000	-1.005988000
 H	-6.106253000	 0.718615000	 0.732550000
 C	-6.934118000	-1.194713000	 0.160310000
 H	-6.709263000	-1.708340000	 1.103425000
 H	-7.977386000	-0.859968000	 0.203165000
 H	-6.854824000	-1.934495000	-0.646215000

