%nprocshared=8
%mem=20GB
#p PBEPBE/gen scrf=(smd,solvent=thf) nosymm scf=xqc EmpiricalDispersion=GD3BJ Int=Grid=UltraFine

HE

1 1
 C                  0.64718800    1.26623600    1.61212400
 C                  1.10528600    2.26297000    0.72920800
 C                 -1.16950800    2.49075800   -0.18064500
 C                 -1.61804900    1.48937900    0.70432500
 C                  2.52101900    2.76844300    0.65808100
 C                 -2.02934900    3.22378300   -1.17563500
 C                  1.43939700    0.52150000    2.63327200
 H                  2.16820100   -0.14417100    2.14318600
 H                  2.01502500    1.21792100    3.26183500
 H                  0.78071900   -0.08226000    3.27532400
 C                 -3.00134400    0.94989800    0.84722700
 H                 -3.72054500    1.76600800    1.01535300
 H                 -3.31157400    0.43992500   -0.07899700
 H                 -3.06037500    0.23754200    1.68350100
 O                 -3.24669200    2.67546100   -1.31895200
 O                  3.40860700    1.90228300    1.17378200
 O                  2.80316800    3.85214000    0.15432400
 O                 -1.62636400    4.20961900   -1.78725200
 C                  4.81875500    2.31898000    1.12999800
 H                  5.08905700    2.48656600    0.07482100
 H                  4.90682600    3.27508200    1.67092200
 C                 -4.13860000    3.32468300   -2.29149600
 H                 -4.23371400    4.38604400   -2.01133800
 H                 -3.65712500    3.26465000   -3.28128200
 C                  5.63638700    1.21708900    1.76808200
 H                  6.70074700    1.50329400    1.74174800
 H                  5.35139200    1.06074600    2.82124400
 H                  5.52529000    0.26607300    1.22242800
 C                 -5.46287500    2.59342800   -2.24756700
 H                 -5.92980600    2.66608800   -1.25171300
 H                 -6.14773600    3.05272700   -2.97934700
 H                 -5.34540300    1.52983900   -2.51155500
 N                 -0.67970500    0.95841500    1.54033600
 H                 -1.01139500    0.24327600    2.19942400
 C                  0.18145300    2.86462500   -0.13645100
 H                  0.52661900    3.65573200   -0.80821900

-C -P -O -H -N 0
6-311++g(d,p)
****

