! 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  -4.8780172719   0.3575256345   1.8490701940
F    0.1090974344  -2.3552096769  -0.1477731708
F   -1.8649305452  -3.1727862448  -0.3391560970
F   -0.9505614647  -2.1799808841  -2.0086166727
O    3.4981663340   0.9014283616  -1.5962137498
N    1.6360347979   0.0566469873   0.3222935901
N    0.0477049044   0.4427494581  -1.3974969798
N    2.7741888202  -0.8131192404   2.0026535584
C    1.2358210621   0.2589293493  -1.0043405467
C    2.3472271055   0.2389345544  -2.0286440502
C    3.3242693330   2.3023302295  -1.4620031570
C   -1.0866822231   0.3825295537  -0.5933757347
C    4.5373262030   2.8965034698  -0.7824209517
C   -1.6907274762  -0.8281956551  -0.2326589634
C   -1.7031789993   1.5750497266  -0.2203362710
C   -2.8596688659  -0.8285785064   0.5188289178
C    1.0742965416   0.5580024900   1.4816751253
C    4.7676828680   2.3605391184   0.6230917442
C    2.6616648547  -0.7600039002   0.7128633963
C   -1.1026506093  -2.1319855004  -0.6803438855
C   -2.8606178200   1.5769694360   0.5335419821
C   -3.4291671397   0.3698773666   0.9055995887
C    1.7964210674   0.0192624488   2.4926432332
H    1.9413560075   0.6540899076  -2.9571736687
H    2.6219448790  -0.7993087104  -2.2374873080
H    2.4295091816   2.5318768758  -0.8663072626
H    3.1718123872   2.7562412011  -2.4491562659
H    5.4241637558   2.7341878234  -1.4009082317
H    4.3840396962   3.9775799075  -0.7471531984
H   -1.2597489605   2.5154523419  -0.5188902550
H   -3.3311209265  -1.7573777029   0.8060563093
H    0.2698383790   1.2707771406   1.4904746882
H    5.5866350469   2.8903144903   1.1105991737
H    3.8793862087   2.4848202142   1.2466803815
H    5.0208757079   1.3008017117   0.6183243463
H    3.2675490020  -1.3126093378   0.0136469978
H   -3.3114740214   2.5158986056   0.8235000947
H    1.6721603506   0.1905893417   3.5494681779
*