! 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  -7.0741925189  -0.5940314512  -1.3347971118
F    3.5254776539  -2.4245175078  -0.7893422826
F    4.0333543879  -1.2182454683   0.9361588471
F    2.7498078163  -2.9000259291   1.1379501578
O    4.0416850591   0.1328547260  -1.3870539682
O   -1.6982997168  -1.5536054311   0.7846002798
N    2.6468380474   2.6709146155   0.9070890037
N    2.2584663442   3.8655870529   0.4499304304
N    1.0218193022   3.2680417121   2.2256274862
C    3.0599888579   1.0510998551  -0.9704958396
C    1.8304655091   0.2665039131  -0.5205632780
C    3.6256104534   1.8572044729   0.2310253353
C    2.7596456470   1.9905204442  -2.1403196379
C    1.8205396525  -1.0121979075   0.0731052655
C    0.5995486430   0.9106555898  -0.6358035643
C    0.6137734499  -1.5890955327   0.4591792285
C   -0.5979752844   0.3571165301  -0.2214202811
C   -0.5867241793  -0.9150130685   0.3167604847
C    3.0409097601  -1.8710664364   0.3251755050
C    1.8922056277   2.3273754377   1.9520004778
C    1.2892078723   4.1782237399   1.2709787713
C   -2.9319447795  -1.2830883525   0.2480300410
C   -3.1460879772  -1.2515076482  -1.1237290838
C   -3.9849269234  -1.1086952499   1.1330437801
C   -4.4248210255  -1.0324969734  -1.6105333281
C   -5.2668992080  -0.9035683676   0.6468140836
C   -5.4761514889  -0.8605534729  -0.7225358503
H    4.0456521520   1.1788969766   0.9692890058
H    4.4345455533   2.5042400356  -0.1104807527
H    2.2856435737   1.4525109121  -2.9610414054
H    2.1339478667   2.8401274398  -1.8810510398
H    3.7015128231   2.4043283677  -2.5068601317
H    0.5503143446   1.9015853880  -1.0632541448
H    0.5822941991  -2.5786303704   0.8918078156
H    4.8157277371   0.6283894769  -1.6807246677
H   -1.5111167712   0.9277157384  -0.3267477091
H    2.0221810644   1.4011272832   2.4905446331
H    0.7568317768   5.1125816156   1.1814066881
H   -2.3317752882  -1.4002835348  -1.8216710646
H   -3.8098584242  -1.1402667233   2.2008327964
H   -4.5932234242  -1.0055719355  -2.6785509301
H   -6.0887911039  -0.7721348221   1.3376425626
*