! 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  -1.6100164616  -2.1733933734   0.0184939401
F    4.5882434977  -1.6079735275  -1.5051662060
F    3.6980586187   0.2793640023  -2.0391184217
F    5.8256374796   0.0257648712  -2.1357950874
F   -7.0354353227   0.6671166667   0.5044048695
F   -6.3994305640   0.9133269385  -1.5313226727
F   -6.6604427465  -1.0622923403  -0.7216747551
O    2.0350363937  -1.0846219875  -0.0043655455
N    1.4964500921   1.0825672746   0.3545716278
N   -2.9985823794   1.4003135074   0.9657509775
C   -0.7584654633   0.5326665222   1.2232614257
C    0.0982995716   0.9511562250   0.0221241957
C   -2.1849087155   0.3589407677   0.8099200417
C    3.7341697085   0.3703240955   0.8062611772
C    2.3455943575   0.0479256669   0.3357887615
C    4.8648375111   0.1796817119   0.0069926953
C   -2.6591556654  -0.8222707401   0.2387956968
C   -4.7980882241   0.1725730049   0.0092382423
C   -3.9765040381  -0.9267106005  -0.1656537612
C    3.8945721681   0.8079577963   2.1151646053
C    6.1288094577   0.4243326469   0.5276474762
C   -4.2598685233   1.3168949073   0.5793614748
C    4.7409838144  -0.2819236558  -1.4151815678
C    5.1596238981   1.0386468656   2.6353983798
C    6.2767555827   0.8462816526   1.8408837757
C   -6.2247961584   0.1653483457  -0.4339027028
H   -0.3616015617  -0.3885742431   1.6511641228
H   -0.7085779453   1.3045245607   1.9907821165
H   -0.0051115910   0.2321969465  -0.7900944829
H   -0.2429661736   1.9131719496  -0.3562051636
H    1.8310379868   1.9836566282   0.6564142126
H   -4.3391979128  -1.8464962970  -0.6037157153
H    3.0253553664   0.9526589739   2.7435022188
H    7.0118020813   0.2938872329  -0.0823209339
H   -4.8633100718   2.2030924369   0.7352521644
H    5.2670981336   1.3680062588   3.6597965725
H    7.2669339108   1.0279754684   2.2352204059
*