%mem=3000MB
%nprocshared=12
#p opt=maxstep=4 freq=noraman b3lyp/6-311+g(d) scrf=(smd,solvent=dichloromethane) nosymm empiricaldispersion=gd3

ch3cn-oTs_6311+Gd_ch2cl2

-1 1
 C	 1.559186000	-1.198110000	-0.831867000
 H	 2.304944000	-1.683266000	-0.201091000
 H	 1.993949000	-0.292617000	-1.256656000
 H	 0.693493000	-0.929098000	-0.223311000
 C	 1.152405000	-2.097033000	-1.894178000
 N	 0.816755000	-2.812748000	-2.737647000
 C	 4.578050000	-1.925690000	-2.561946000
 C	 4.912207000	-0.858957000	-1.730561000
 C	 5.108610000	-1.087489000	-0.370698000
 C	 4.977338000	-2.371244000	 0.158777000
 C	 4.643373000	-3.426669000	-0.684848000
 C	 4.434807000	-3.222216000	-2.055184000
 H	 4.415313000	-1.743116000	-3.619400000
 H	 5.008525000	 0.139994000	-2.139148000
 H	 5.126885000	-2.545635000	 1.217749000
 H	 4.534926000	-4.424293000	-0.270343000
 C	 4.072609000	-4.374231000	-2.953979000
 H	 4.950979000	-4.993646000	-3.164961000
 H	 3.326965000	-5.021982000	-2.485974000
 H	 3.674222000	-4.027774000	-3.909392000
 S	 5.394435000	 0.306620000	 0.733564000
 O	 6.182193000	-0.220683000	 1.888597000
 O	 4.037004000	 0.787700000	 1.145700000
 O	 6.139209000	 1.331298000	-0.058446000



