! 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   0.7347787750   3.4304174635   1.8239867237
Cl   1.1748396482   4.6165948745  -1.0523671718
F    4.9526681622  -3.3938203443   0.4388445984
F   -1.2588942461   0.9321862803  -1.2655327607
F   -1.6444950123   1.3449394521   0.8429818255
O   -1.4229778137  -3.2155831033   1.0989433250
N   -0.2515444412  -1.6292625862  -0.0268809201
N   -4.8204823503  -1.3136891975  -0.1773756317
N   -4.3469516937  -0.0947243899  -0.3955509975
C    2.1167707526  -1.2016661914  -0.0043982592
C    1.0575769772  -2.1098577705   0.1399707200
C   -2.6600274917  -1.4968277751   0.1211150519
C    1.8746861180   0.2382085463  -0.2653850867
C   -3.0441539329  -0.1802666534  -0.2267595755
C   -1.3954244570  -2.1801606600   0.4475082303
C   -3.8596003946  -2.1822980709   0.1436740016
C    3.4301288161  -1.6465019861   0.0853827156
C    1.3466600830  -3.4538324849   0.3777944578
C    1.4525920238   1.0713890148   0.7630216331
C    2.0833379937   0.7732188491  -1.5328378913
C    3.6806203076  -2.9780114752   0.3380230322
C    2.6574303322  -3.8888544153   0.4858260467
C   -2.2589121742   1.0712446940  -0.3388032235
C   -6.2372465403  -1.5760262721  -0.2916933994
C    1.2455741006   2.4205833704   0.5288356057
C    1.8688230976   2.1196738586  -1.7706660842
C    1.4472561148   2.9462208329  -0.7413650717
H   -0.3322897271  -0.7738721723  -0.5552485628
H   -4.0728266032  -3.2180759364   0.3500182409
H    4.2486786772  -0.9472979631  -0.0263726322
H    0.5574894709  -4.1810965972   0.4649724449
H    1.2944424339   0.6724228052   1.7558512458
H    2.4091930982   0.1371736042  -2.3448530675
H   -2.8750758855   1.9212601462  -0.6286306616
H    2.8691247372  -4.9331748277   0.6719819118
H   -6.7909422133  -0.9391176671   0.3933802453
H   -6.5746497977  -1.3923004360  -1.3086636662
H   -6.4226079680  -2.6147785970  -0.0382647647
H    2.0276296058   2.5287400612  -2.7588089980
*