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

HE

0 1
 C                  0.66235500    1.35939000    1.62273300
 C                  1.12444700    2.36109500    0.80105100
 C                 -1.23235500    2.63341200   -0.08828700
 C                 -1.63201200    1.62546300    0.75841200
 C                  2.53496000    2.71034700    0.60662200
 C                 -2.06306100    3.23602900   -1.13546000
 C                  1.46043000    0.44362700    2.51140400
 H                  2.02948100   -0.28904200    1.91576000
 H                  2.19056900    1.00061700    3.11457800
 H                  0.79184500   -0.11143900    3.18927300
 C                 -2.97925800    0.95896200    0.83776900
 H                 -3.79271200    1.69703900    0.86806600
 H                 -3.15731700    0.32248000   -0.04455000
 H                 -3.04377300    0.32521700    1.73728800
 O                 -3.28709800    2.64968400   -1.31399900
 O                  3.42903600    1.87045300    1.21427500
 O                  2.90283900    3.68762800   -0.06257800
 O                 -1.69221900    4.20150600   -1.82011300
 C                  4.83201000    2.21848000    1.05254300
 H                  5.07739500    2.21871800   -0.02323800
 H                  4.99334200    3.24020600    1.43679600
 C                 -4.12974800    3.24838500   -2.33767800
 H                 -4.25785200    4.32105200   -2.11359200
 H                 -3.61771700    3.16455000   -3.31186100
 C                  5.64770600    1.19200900    1.81523800
 H                  6.72032300    1.42545000    1.70777200
 H                  5.40193200    1.20097400    2.89010800
 H                  5.47845300    0.17516900    1.42384700
 C                 -5.45336100    2.50731300   -2.32963800
 H                 -5.96024800    2.60325600   -1.35493200
 H                 -6.11524900    2.93337200   -3.10225900
 H                 -5.31500300    1.43591000   -2.55048000
 C                  0.14496200    3.25949100    0.06313600
 H                  0.06417400    4.24015300    0.57951400
 H                  0.54878800    3.50540900   -0.93184600
 N                 -0.70527700    1.11444900    1.65923500
 H                 -1.02219900    0.36209000    2.26967800

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

