%nprocshared=8
%mem=20GB
#p opt freq=(NoRaman) b3lyp/gen scrf=(smd,solvent=thf) nosymm scf=xqc EmpiricalDispersion=GD3 Int=Grid=UltraFine

Collidine

0 1
 C                  0.63737700    0.69346600   -0.00415700
 C                  1.33115000    1.91410100   -0.01565300
 C                  0.63024800    3.15126100   -0.01892900
 C                 -0.79095900    3.13745400   -0.00931200
 C                 -1.50052800    1.92519400    0.00236400
 H                  2.42961700    1.89583100   -0.02528500
 H                 -1.35728700    4.07879400   -0.01352000
 C                 -3.02292600    1.79460000    0.01049100
 H                 -3.47715000    2.79623700    0.01694200
 H                 -3.35831200    1.24506000   -0.88668000
 H                 -3.34854700    1.23774400    0.90665500
 C                  1.39814800    4.47667000   -0.00615700
 H                  0.78726600    5.28298600   -0.44006100
 H                  1.64079900    4.74412200    1.03876900
 H                  2.34187500    4.37983300   -0.56554100
 C                  1.28465300   -0.69022900   -0.00301700
 H                  2.37936400   -0.58423400   -0.00172800
 H                  0.96877700   -1.25321700    0.89295800
 H                  0.97131500   -1.25277700   -0.90029400
 N                 -0.75929100    0.74074800    0.00503500

-C -P -O -H -N 0
6-31g(d)
****

