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

product

0 1
 C	-2.016030000	-2.489165000	 1.517684000
 C	-2.407852000	-3.040515000	-0.779013000
 C	-2.847917000	-1.583385000	-0.823755000
 C	-1.145944000	-1.372339000	 0.951788000
 H	-3.011322000	-1.275853000	-1.862248000
 H	-3.810307000	-1.492997000	-0.296174000
 H	-1.458270000	-3.152026000	-1.324877000
 H	-3.158180000	-3.670698000	-1.269100000
 H	-2.967218000	-2.072691000	 1.883538000
 H	-1.507810000	-2.957761000	 2.367233000
 H	-0.984317000	-0.617353000	 1.726317000
 H	-0.166823000	-1.788073000	 0.681243000
 N	-1.793214000	-0.749764000	-0.237103000
 O	-2.256163000	-3.523063000	 0.561634000
 C	 4.765300000	-0.426864000	 0.761532000
 C	 4.974165000	-1.163936000	-0.408346000
 C	 4.015110000	-1.088448000	-1.416213000
 C	 2.885825000	-0.294276000	-1.210150000
 C	 2.764993000	 0.400967000	-0.000234000
 N	 3.695184000	 0.347543000	 0.969185000
 H	 4.141905000	-1.631538000	-2.348265000
 H	 5.867613000	-1.770081000	-0.521263000
 H	 2.130536000	-0.200573000	-1.984166000
 C	 1.590271000	 1.309876000	 0.293372000
 O	 1.718363000	 2.339661000	 0.951243000
 N	 0.401683000	 0.874628000	-0.229035000
 H	 0.375162000	-0.050656000	-0.643846000
 C	-0.860628000	 1.496668000	-0.140722000
 C	-1.999056000	 0.647363000	-0.204690000
 C	-1.014847000	 2.885640000	-0.073683000
 C	-3.267056000	 1.242659000	-0.280559000
 C	-2.290784000	 3.451667000	-0.114634000
 H	-0.133743000	 3.510886000	-0.010033000
 C	-3.413114000	 2.631599000	-0.238428000
 H	-4.150341000	 0.617667000	-0.351610000
 H	-2.399580000	 4.531716000	-0.069819000
 H	-4.408006000	 3.066207000	-0.286222000
 H	 5.496708000	-0.460648000	 1.567249000

-S -F -N -C -H -O 0
cc-pVTZ
****

