! 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  -0.9320444481   0.3877088962  -2.1781661334
F    5.1876340225  -1.0280682420  -0.0110647892
O   -0.3617358537   0.0490966927   2.3380802199
N   -1.5397807343  -3.2099871569  -0.5691116348
N   -3.3806594776  -1.9066775289   0.1328841251
C   -0.2647614549   0.0474591698   0.9275700669
C    1.2106305480  -0.2113981388   0.6430796264
C   -0.7237646483   1.3995231408   0.3654260513
C   -1.1636260857  -1.0724296952   0.4072921744
C    1.8647047830  -1.2124905137   1.3637894408
C    1.9414981039   0.5127660978  -0.2903493378
C   -1.0691326998   1.6276210445  -0.9686289023
C   -0.7954898378   2.4915801955   1.2287581367
C   -0.7150811844  -2.2505746222  -0.1664039354
C   -2.5418972471  -0.9603474470   0.5300263920
C    3.2031805108  -1.4952294847   1.1498609728
C    3.2839950466   0.2424747134  -0.5204152679
C   -1.4989781578   2.8706805753  -1.4107713780
C   -1.2143873544   3.7404971547   0.7992232246
C    3.8909385936  -0.7604738943   0.2036474037
C   -1.5777551279   3.9304963109  -0.5236300938
C   -2.8323045418  -2.9881986921  -0.3990786940
H    1.3324010806  -1.7961621175   2.1026392758
H    1.4907672443   1.3187110480  -0.8506851089
H   -0.5173355624   2.3671596543   2.2652850400
H   -1.2876916689   0.1224238564   2.6016022913
H    0.3390595436  -2.4309972860  -0.3333233592
H   -2.9977364413  -0.0686010996   0.9493218599
H    3.6998174306  -2.2746404427   1.7121561990
H    3.8431402120   0.8142790688  -1.2487449035
H   -1.7651551029   3.0087684567  -2.4496504501
H   -1.2573215500   4.5605449719   1.5028277147
H   -1.9143650427   4.8970631086  -0.8726112248
H   -3.5093491373  -3.7656747458  -0.7298757881
*