%nprocshared=24
%mem=90GB
#p b3lyp gen EmpiricalDispersion=GD3 scrf=(smd,solvent=acetonitrile) scf=xqc nosymm integral(ultrafine)

TS2-10

0 2
 C	 1.972854000	 2.539051000	 0.068502000
 C	 2.351826000	 3.849255000	-0.218696000
 C	 1.407454000	 4.718403000	-0.767817000
 C	 0.114449000	 4.254616000	-1.016407000
 C	-0.192326000	 2.935473000	-0.702279000
 N	 0.725472000	 2.105916000	-0.171576000
 H	 1.675916000	 5.744307000	-1.001451000
 H	 2.667948000	 1.816938000	 0.484650000
 H	 3.367428000	 4.171430000	-0.015412000
 H	-0.655442000	 4.885403000	-1.445705000
 C	-1.561118000	 2.344599000	-0.952540000
 O	-2.438110000	 3.025063000	-1.502124000
 N	-1.664119000	 1.069019000	-0.517463000
 C	-2.852420000	 0.342421000	-0.771206000
 C	-3.812063000	 0.177128000	 0.237933000
 C	-3.046867000	-0.283463000	-2.012660000
 C	-4.940782000	-0.613968000	 0.014146000
 H	-3.655740000	 0.663451000	 1.196809000
 C	-4.177523000	-1.070908000	-2.234956000
 H	-2.295976000	-0.156445000	-2.788194000
 C	-5.125823000	-1.243682000	-1.220697000
 H	-5.673983000	-0.741364000	 0.806406000
 H	-4.315186000	-1.556039000	-3.197935000
 H	-6.001628000	-1.863628000	-1.392046000
 Cu	-0.013979000	 0.277098000	 0.196771000
 C	 3.733677000	-1.314600000	-0.871943000
 C	 3.649899000	-0.718568000	 0.554288000
 C	 2.623957000	-0.689668000	-1.743998000
 H	 2.694020000	 0.404163000	-1.754989000
 H	 2.715537000	-1.047591000	-2.777023000
 H	 1.625781000	-0.964299000	-1.391887000
 C	 3.557121000	-2.843126000	-0.812428000
 H	 3.624301000	-3.270054000	-1.820878000
 H	 4.339209000	-3.304951000	-0.197184000
 H	 2.588304000	-3.122868000	-0.390947000
 C	 5.101078000	-0.974420000	-1.484243000
 H	 5.247571000	 0.108241000	-1.545296000
 H	 5.917222000	-1.387298000	-0.881087000
 H	 5.175099000	-1.392658000	-2.495632000
 O	 2.675807000	-1.123503000	 1.341882000
 O	 4.486086000	 0.097068000	 0.944362000
 C	-1.629905000	-2.998111000	 0.216952000
 C	-1.638705000	-2.045548000	 2.366311000
 C	-0.151922000	-1.719483000	 2.258334000
 C	-0.142580000	-2.682674000	 0.051300000
 H	 0.080891000	-0.819393000	 2.836430000
 H	 0.426127000	-2.557359000	 2.679364000
 H	-2.230462000	-1.179313000	 2.031975000
 H	-1.909151000	-2.277220000	 3.401713000
 H	-1.882769000	-3.926966000	-0.304790000
 H	-2.232947000	-2.183940000	-0.206517000
 H	 0.440077000	-3.557861000	 0.378655000
 H	 0.082318000	-2.496856000	-1.002962000
 N	 0.248432000	-1.509963000	 0.851532000
 O	-1.968503000	-3.195538000	 1.589824000
 H	 1.610064000	-1.377795000	 0.944845000

-Cu -N -C -H -O 0
cc-pVTZ
****

