! 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   2.5372750582  -0.7125028638  -1.5660560749
Cl   0.4223283613  -5.3860288962  -0.1384358542
O   -1.0155086209   1.0608908086   0.5816798518
O    0.3485097506   1.2472229729  -1.1782795779
N    1.2912095926   2.6175508252   1.1015552243
N    2.0870323828   3.3815151352   0.3485269142
N    0.6696009016   4.6541478386   1.5356707381
C    0.2270547781   0.6565944738   0.0782773723
C   -1.8215053178   1.5764612413  -0.4814330077
C   -0.9620097865   1.3058122216  -1.7095781727
C   -3.1843662425   0.9205705312  -0.5209682753
C    1.3144980510   1.1814002425   1.0184792660
C    0.2968843842  -0.8690993698   0.0001720520
C   -4.0263373380   1.1694960437   0.7234757206
C    1.2858643027  -1.5487430277  -0.7100126626
C   -0.6390223749  -1.6416153842   0.6815050467
C   -5.3992429729   0.5229661842   0.6268851281
C    1.3312393792  -2.9340403114  -0.7594812411
C   -0.6170231422  -3.0256756733   0.6520492933
C    0.4486597565   3.3880812209   1.7911434101
C    0.3718992882  -3.6606541471  -0.0771861523
C    1.6801370035   4.5860105277   0.6487173495
H   -1.9352027741   2.6553819307  -0.3232288500
H   -1.2366810000   0.3613987231  -2.1956688750
H   -1.0075090551   2.1022826240  -2.4501969878
H   -3.0691077758  -0.1554927237  -0.6884650900
H   -3.7090512487   1.3137787538  -1.3979903248
H    2.3058619761   0.8785908803   0.6908981532
H    1.1552690745   0.7631552504   2.0118381170
H   -4.1374708289   2.2469144828   0.8768270153
H   -3.5070451156   0.7855077685   1.6051798576
H   -1.4135060235  -1.1550355488   1.2564490750
H   -5.3196829094  -0.5593941902   0.5096814337
H   -5.9928256920   0.7129109893   1.5217349225
H   -5.9602034163   0.9055130914  -0.2278072203
H    2.1062988738  -3.4341926295  -1.3230818710
H   -1.3631081166  -3.5924619491   1.1907289363
H   -0.2837213655   2.9949595122   2.4770147741
H    2.1373907758   5.4596741562   0.2115145114
*