! 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   0.6856720397   2.1603774070   1.1542987999
Cl   4.9056786763  -0.2610775302  -0.9820053482
O   -1.4623170177  -1.6741852063   0.1741802127
O   -1.4773784322   0.2467496087   1.2773182472
N   -1.4288894132   1.6350482447  -1.3655273861
N   -2.0463531415   2.6591247511  -0.7705497291
N   -0.3699401845   3.3975513505  -2.0682137427
C   -1.0502880551  -0.3402000590   0.0918810402
C   -1.3942237982  -2.0670911776   1.5478512349
C   -1.2575379787  -0.7239093523   2.2863664862
C   -2.6312909376  -2.8578062122   1.9173355088
C   -1.7903623435   0.2680589019  -1.1024755135
C    0.4682387010  -0.2713181890  -0.1027934299
C   -2.7936650675  -4.1514224241   1.1292665314
C    1.2884574160   0.7782682181   0.3085755613
C    1.0754804643  -1.3088473470  -0.8091524610
C   -4.0031353109  -4.9540284015   1.5828469011
C    2.6527506432   0.7830500032   0.0462758235
C    2.4291369962  -1.3254048481  -1.0905865811
C   -0.4303642285   2.0910049635  -2.1244225252
C    3.2105412643  -0.2710408703  -0.6516069424
C   -1.3766549806   3.6858421539  -1.2218072953
H   -0.5017350907  -2.6822814523   1.7056584759
H   -2.0069292452  -0.5853979214   3.0659119231
H   -0.2672864416  -0.6106068261   2.7378024834
H   -3.5163381142  -2.2241778432   1.7952271273
H   -2.5631245029  -3.0913453142   2.9842556134
H   -2.8641205516   0.2224951014  -0.9265903407
H   -1.5706586105  -0.3203278677  -1.9923367947
H   -1.8897286132  -4.7576454683   1.2411466459
H   -2.8852848393  -3.9296970923   0.0634556577
H    0.4745647574  -2.1383381741  -1.1546692664
H   -4.9257645879  -4.3832624389   1.4630343879
H   -4.1094996358  -5.8732951335   1.0060522694
H   -3.9237908605  -5.2329058928   2.6350998955
H    3.2655998159   1.6073438074   0.3829227464
H    2.8603491614  -2.1490697022  -1.6413186909
H    0.2015198123   1.4445681182  -2.7132118693
H   -1.6325536468   4.6936354925  -0.9356033918
*