! 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  -0.8016363828  -0.2230730500   2.2065220011
F    5.8858234611  -0.1574396170  -1.0280950715
F    5.0623083704  -1.1362864027   0.6903028178
F    4.2099201979  -1.4739553722  -1.2610762436
F   -4.5988094846   2.5791836348  -0.2536088208
F   -5.7399628248   1.1624806824  -1.4049020353
F   -5.9424255168   1.2278948088   0.7356763625
O    2.1934675388  -1.7427549876   0.8235757575
N    0.8330081738  -1.1864324683  -0.8905220531
N   -2.9149365209  -1.6991673195  -0.7935470142
C   -0.9192581332  -2.6091190827   0.1900731033
C    0.1139457928  -2.4413940379  -0.9257135850
C   -1.9765838526  -1.5522132116   0.1369611178
C    2.4241077720   0.4293621816  -0.1151174686
C    1.8138983057  -0.9383217322  -0.0152077246
C    3.8020098867   0.6215018418  -0.2632811077
C   -1.9997802278  -0.4404762877   0.9815118031
C   -3.9552328829   0.3291505595  -0.1236338765
C   -2.9936846608   0.5102516881   0.8572051330
C    1.5979418420   1.5388379542   0.0145737913
C    4.3253614670   1.9073982082  -0.2581002783
C   -3.8732105671  -0.7970316262  -0.9259609350
C    4.7353508353  -0.5380659108  -0.4601568660
C    2.1260468487   2.8215854953   0.0267429093
C    3.4912517139   3.0051198977  -0.1024096329
C   -5.0606810396   1.3235657121  -0.2681176200
H   -1.3950397844  -3.5801730670   0.0472046330
H   -0.4224463792  -2.6354999065   1.1575115370
H    0.8203642134  -3.2702588270  -0.8766681996
H   -0.3766142124  -2.5001729681  -1.8949448597
H    0.5856027120  -0.4784985480  -1.5630081167
H   -3.0095970762   1.3693693196   1.5151685106
H    0.5300383262   1.4068588022   0.1241235228
H    5.3864694004   2.0720601197  -0.3811201919
H   -4.6005169182  -0.9904206074  -1.7038602620
H    1.4674186231   3.6717065574   0.1392725001
H    3.9142134796   4.0000579299  -0.0937170038
*