! 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  -4.6726187963   1.9634386625  -0.1519191661
F   -0.4286446132  -2.0188439991   1.4492958294
F   -2.5122505378  -2.5023645240   1.2524537166
F   -1.1539020584  -2.9560007421  -0.3456503743
O    2.4724714813   1.5090476565   0.6370162739
N    2.7328613891  -1.1092550559  -0.5743394391
N    0.5331900992  -0.6897596666  -0.9663776832
N    4.8240782526  -1.8065272198  -0.4553363825
C    1.5459472398  -0.4593707390  -0.2437127520
C    1.5988684598   0.4554291760   0.9512083762
C    2.5059843700   2.5204220914   1.6344010528
C   -0.6816018190  -0.0530294175  -0.7260177444
C    1.3269631216   3.4755636627   1.5630612324
C   -1.7036258236  -0.6899913155  -0.0136926253
C   -0.9200487604   1.2111505907  -1.2567140113
C   -2.9313056378  -0.0668701579   0.1626740401
C    2.9265210900  -1.9566774736  -1.6484222105
C    1.2060247350   4.1813648715   0.2216566880
C    3.9218570142  -1.0636607872   0.1042391292
C   -1.4550292649  -2.0413899801   0.5815418549
C   -2.1408736351   1.8373075058  -1.0816291309
C   -3.1399683140   1.1912386762  -0.3734319218
C    4.2120816897  -2.3673973430  -1.5539178587
H    1.9373215203  -0.1041588606   1.8333102584
H    0.5876358052   0.8068318048   1.1721355472
H    3.4351697903   3.0696413518   1.4695661913
H    2.5691457676   2.0656178182   2.6304365629
H    0.3933751493   2.9580983177   1.8013871829
H    1.4679293311   4.2117200202   2.3586370173
H   -0.1401659690   1.7059780124  -1.8195007824
H   -3.7234740582  -0.5496633382   0.7169827828
H    2.1505974237  -2.1799432901  -2.3582856891
H    1.0165408814   3.4793952601  -0.5908357870
H    0.3848330794   4.8983635638   0.2282549113
H    2.1190102029   4.7286465142  -0.0213330057
H    4.0706821528  -0.4788756144   0.9959689585
H   -2.3047742189   2.8227283168  -1.4953951129
H    4.7375090387  -3.0394874963  -2.2127769134
*
