%nprocshared=28
%mem=90GB
#p b3lyp gen EmpiricalDispersion=GD3 scrf=(smd,solvent=acetonitrile) scf=xqc nosymm integral(ultrafine)

TS4-5-meta

0 3
 C	 2.472608000	 3.412306000	-0.197688000
 C	 2.596169000	 4.795037000	-0.318443000
 C	 1.452325000	 5.584547000	-0.184855000
 C	 0.222093000	 4.973700000	 0.064614000
 C	 0.174039000	 3.588336000	 0.174806000
 N	 1.285605000	 2.838782000	 0.041442000
 H	 1.518625000	 6.664723000	-0.273774000
 H	 3.318907000	 2.739623000	-0.288462000
 H	 3.568460000	 5.235217000	-0.511286000
 H	-0.694821000	 5.540507000	 0.176097000
 C	-1.121107000	 2.849415000	 0.437919000
 O	-2.171838000	 3.497057000	 0.548578000
 N	-0.947809000	 1.508799000	 0.536477000
 C	-2.048564000	 0.630744000	 0.658997000
 C	-1.930546000	-0.486182000	 1.471621000
 C	-3.253890000	 0.838733000	-0.071177000
 C	-2.952687000	-1.505295000	 1.515300000
 H	-1.003249000	-0.649404000	 2.010882000
 C	-4.321761000	-0.051033000	 0.082288000
 H	-3.349515000	 1.709896000	-0.706857000
 C	-4.213049000	-1.170328000	 0.898624000
 H	-3.004225000	-2.098472000	 2.425535000
 H	-5.257666000	 0.150860000	-0.434263000
 H	-5.066354000	-1.822768000	 1.052645000
 Cu	 0.902290000	 0.905592000	 0.291753000
 C	-2.805130000	-2.797862000	-1.853874000
 C	-4.086787000	-4.254381000	-0.540561000
 C	-3.078890000	-4.155076000	 0.612119000
 C	-1.741085000	-2.678268000	-0.759530000
 H	-3.600987000	-4.196167000	 1.576284000
 H	-2.425205000	-5.042430000	 0.557567000
 H	-4.888515000	-3.510190000	-0.419030000
 H	-4.543065000	-5.250350000	-0.560945000
 H	-2.346060000	-2.719641000	-2.845612000
 H	-3.552990000	-1.998174000	-1.752862000
 H	-0.938852000	-3.399052000	-0.994086000
 H	-1.284865000	-1.684930000	-0.757242000
 N	-2.192241000	-2.992705000	 0.593354000
 O	-3.445041000	-4.074126000	-1.800901000
 C	 2.984825000	-2.383646000	 0.062613000
 C	 2.202420000	-1.086055000	 0.191246000
 C	 2.508003000	-3.369869000	 1.146070000
 H	 1.432259000	-3.553575000	 1.068162000
 H	 3.034137000	-4.324726000	 1.032832000
 H	 2.717121000	-2.982851000	 2.150651000
 C	 4.492178000	-2.123472000	 0.193173000
 H	 5.040230000	-3.065704000	 0.077783000
 H	 4.843768000	-1.425231000	-0.572727000
 H	 4.737672000	-1.703427000	 1.175332000
 C	 2.658228000	-2.950802000	-1.339485000
 H	 1.584081000	-3.136841000	-1.446572000
 H	 2.971047000	-2.257835000	-2.129607000
 H	 3.189734000	-3.898397000	-1.484815000
 O	 0.942443000	-1.114542000	 0.400466000
 O	 2.750412000	 0.059887000	 0.052390000

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

