! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -1.0182072678   0.8022062277  -2.8970389831
Cl  -3.1741489122   3.4738239133   1.1966322601
F    4.1603940382  -1.1961600724  -0.0337367189
F    3.0718405803  -0.0727816837  -1.5197674419
F    4.1532570698   0.9866336245   1.6443281590
F    3.0464428795   2.1245035587   0.1433973574
O    2.1332085426  -0.4177606923   0.4835356639
N   -1.5556330557  -2.7015239531  -0.0167036469
N   -1.0841933700  -3.4693481706   0.9706729062
N   -3.1517397598  -2.7483173896   1.4592704795
C    0.1884754636  -1.1122565229  -0.8178529534
C   -0.7366032974  -2.2985565131  -1.1338998121
C    1.3182213158  -1.5391623214   0.1110859510
C   -0.6139854461   0.0592808829  -0.3114881384
C   -1.2161616764   0.9664979465  -1.1814804587
C   -0.8578562467   0.2420517277   1.0479476899
C    3.2643775084  -0.1844019057  -0.1792018759
C   -2.0009435811   2.0190416392  -0.7362328205
C   -1.6403857437   1.2782234869   1.5268046584
C   -2.7776171669  -2.2706438155   0.2974753089
C   -2.2018962247   2.1649441029   0.6245005575
C    3.9150917176   1.1045916769   0.3191783899
C   -2.0758570823  -3.4682867182   1.8244002328
H    0.6362332248  -0.8494571104  -1.7772441654
H   -1.4055279993  -2.0293005535  -1.9496124831
H   -0.1561731954  -3.1574458351  -1.4683526382
H    0.9542591821  -1.9542914483   1.0482896368
H    1.9050593366  -2.3230747636  -0.3715422413
H   -0.4332937051  -0.4406864738   1.7723214308
H   -2.4461761366   2.7078946860  -1.4402961304
H   -1.8054076165   1.3871746156   2.5893609501
H   -3.3603500317  -1.6342839305  -0.3497262373
H    4.8472505997   1.3223226896  -0.2031811723
H   -2.0224184976  -4.0202401251   2.7493571073
*
