%nprocshared=12
%mem=20GB
#p b3lyp gen EmpiricalDispersion=GD3 scrf=(smd,solvent=acetonitrile) integral(ultrafine) scf=xqc nosymm

picolinamide

0 1
 C	 4.133822000	-0.825215000	 0.019409000
 C	 4.603947000	 0.491104000	 0.007285000
 C	 3.665560000	 1.519337000	-0.011206000
 C	 2.307972000	 1.195484000	-0.016282000
 C	 1.930770000	-0.155441000	-0.003281000
 N	 2.838203000	-1.148813000	 0.013996000
 H	 3.976839000	 2.559713000	-0.021797000
 H	 4.836222000	-1.657034000	 0.034005000
 H	 5.670039000	 0.695404000	 0.011922000
 H	 1.584921000	 2.004537000	-0.031215000
 C	 0.488906000	-0.647780000	-0.008953000
 O	 0.233437000	-1.848872000	-0.022143000
 N	-0.473081000	 0.329675000	 0.003323000
 H	-0.158999000	 1.290373000	 0.014052000
 C	-1.876308000	 0.192341000	 0.002250000
 C	-2.628135000	 1.382733000	 0.006266000
 C	-2.546819000	-1.043237000	-0.001132000
 C	-4.019967000	 1.339598000	 0.007158000
 H	-2.114201000	 2.341480000	 0.008684000
 C	-3.943773000	-1.068270000	-0.000189000
 H	-1.978193000	-1.961540000	-0.004456000
 C	-4.690053000	 0.111909000	 0.003961000
 H	-4.580812000	 2.270494000	 0.010316000
 H	-4.449569000	-2.030523000	-0.002604000
 H	-5.775915000	 0.077745000	 0.004721000

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

