! 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   0.7317996645  -1.6444528552   2.0872770792
F   -4.5685236538   2.6076269812   0.5621178850
O    0.7022365492   0.0778015004  -1.9105769863
N    2.9783040334   1.1804824771  -0.3224836197
N    3.6854218576   0.9614563912  -1.4337837707
N    4.7535823700   0.1275735989   0.3568575000
C    0.5612391521   0.7723338268  -0.6888691638
C    0.8023262881  -0.6787364632  -0.7200878583
C    1.6602789213   1.7578030789  -0.3444464288
C   -0.8095445527   1.2727389302  -0.3757237349
C   -0.2977155280  -1.6227680822  -0.4073776990
C   -1.1812115067   1.4554442066   0.9529954240
C   -1.7268362905   1.5454735340  -1.3821984787
C   -0.4147592170  -2.1371401472   0.8787758418
C   -1.2386775605  -2.0044474494  -1.3553564229
C   -2.4493714436   1.9065430368   1.2798375351
C   -3.0006778558   2.0005538135  -1.0726746964
C    3.6205828786   0.6685185813   0.7288292381
C   -1.4289068775  -3.0119206578   1.2279143378
C   -2.2615799741  -2.8802240072  -1.0238175414
C   -3.3369237095   2.1718879511   0.2547357550
C   -2.3562223809  -3.3838201219   0.2653102065
C    4.7366366415   0.3347910497  -0.9732155168
H    1.8021599152  -1.0544879293  -0.5079286360
H    1.4708651094   2.1828474851   0.6402053058
H    1.6475397117   2.5834483196  -1.0559367240
H   -0.4847285698   1.2321845090   1.7519364174
H   -1.4601121373   1.4023037597  -2.4204657865
H   -1.1708871011  -1.6127015006  -2.3611341094
H   -2.7416860736   2.0426515471   2.3123943404
H   -3.7174036119   2.2146513810  -1.8542338538
H    3.2382314018   0.7303704364   1.7354669811
H   -1.4988765437  -3.3951385788   2.2366493734
H   -2.9855600669  -3.1678971049  -1.7739079425
H   -3.1530758184  -4.0654235913   0.5300696886
H    5.5338020644   0.0182447717  -1.6270384990
*