#
#NICS calculation
#
! nmr pbe0 d4 def2-qzvppd def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 8000
%cpcm smd true
smdsolvent "thf" end

* xyz 1 1
  P          -1.03519710670711     -0.40182956904173      0.00000000000000
  P           0.12510906998362      1.33909616008461      0.00000000000000
  P           1.05227069215649     -0.53639899928088      0.00000000000000
  H:          0.04739422            0.13362253            1.50000000        NewGTO S 1 1 1e6 1 end NewAuxJGTO S 1 1 2e6 1 end
*