! 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  -4.9632309071   1.6992742966   0.2831934667
F   -1.1297232271  -2.9382534835   0.6851459165
F   -2.6611664244  -2.7749733599  -0.8092195557
F   -0.6389542893  -2.2339188150  -1.2863326697
O    2.2756714731   1.3118376924  -1.5648444379
N    2.6546942320  -0.9066323414   0.2802743177
N    0.4766797028  -0.5227403650   0.8018143065
N    4.2089694702  -1.9028413345   1.4908254442
C    1.4070837873  -0.3666678537  -0.0408657197
C    1.3034254108   0.3221795314  -1.3851446949
C    2.0856747065   2.4588931979  -0.7533737237
C   -0.7952220968   0.0110037654   0.6158503555
C    3.1526178705   3.4787721437  -1.0860439455
C   -1.8414062271  -0.7698943982   0.1111326556
C   -1.0697166924   1.3129832226   1.0254665108
C   -3.1230896784  -0.2469782145   0.0090141642
C    3.7672903865  -1.0327191066  -0.5318090274
C    2.9946367426   4.7364708667  -0.2457450663
C    2.9934454229  -1.4532426291   1.4886007389
C   -1.5718672552  -2.1777028396  -0.3218420367
C   -2.3442648948   1.8390887317   0.9223416532
C   -3.3644635391   1.0534337239   0.4132514733
C    4.7010482144  -1.6467310824   0.2313357346
H    0.2925201231   0.7258717422  -1.5018629583
H    1.4420196431  -0.4228727778  -2.1727602744
H    2.1456520617   2.1982094908   0.3126868284
H    1.0870612408   2.8814587780  -0.9275611933
H    4.1390122403   3.0407586537  -0.9147562478
H    3.0942405733   3.7324112118  -2.1473450807
H   -0.2747425722   1.9204949534   1.4367029194
H   -3.9345898078  -0.8424635494  -0.3840056958
H    3.8043388220  -0.6978145562  -1.5519195998
H    3.7668212615   5.4659823637  -0.4881382668
H    2.0281554442   5.2133591067  -0.4163808645
H    3.0727013137   4.5182016613   0.8205089780
H    2.3065432446  -1.4838331373   2.3172349572
H   -2.5331481408   2.8550514245   1.2399873368
H    5.7034448910  -1.9207836600  -0.0543057825
*