! 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  -4.4840729408  -1.2186940363   0.4917708980
O    3.3458548330   1.6070435598   0.4459754956
O    0.0415301533  -0.5968047596   1.5664470646
N    1.8066708849  -0.0238078169   0.2547886279
N    0.3414046545  -1.7604817685  -0.3505831196
N   -0.2827503561  -3.7725875557  -0.9932478636
C    2.1935325038   1.1392601472   1.1053066053
C    2.9300221226  -0.4055803536  -0.6466817434
C    4.0276668355   0.4734329860  -0.0363557479
C    1.1474717382   2.2460806788   1.0994675456
C    2.5413958005   0.7242176391   2.5346967917
C    3.3276483600  -1.8719702275  -0.5495861660
C    2.7184312824   0.0035109145  -2.1010093511
C    0.7701644827   2.7859161469  -0.2768711903
C    0.7193065414  -0.7396559205   0.5703921510
C   -0.6536572170   3.3551733137  -0.3105171166
C   -1.6774373787   2.2713926014  -0.1206695493
C   -0.0757609488  -1.6377689849  -1.6528532776
C    0.1760378376  -3.0632403771  -0.0027737613
C   -1.9349732634   1.3670426039  -1.1489220287
C   -2.3302358458   2.0834456266   1.0934803957
C   -0.4524678471  -2.8887548227  -2.0273089647
C   -2.7964327806   0.2963830463  -0.9730488467
C   -3.1968350543   1.0177287670   1.2911992859
C   -3.4150959467   0.1270692097   0.2548651883
H    4.5600211790  -0.0515684833   0.7658628027
H    4.7612940495   0.7871345498  -0.7778555290
H    1.5280654164   3.0584029510   1.7246022984
H    0.2667646957   1.8679141234   1.6177685125
H    1.6560365805   0.4701673818   3.1101329197
H    3.0337427716   1.5595615194   3.0336795465
H    3.2159056673  -0.1319692986   2.5665717219
H    4.3359364363  -1.9866701516  -0.9508538726
H    2.6827086978  -2.5277283076  -1.1318460327
H    3.3439477143  -2.2206813063   0.4838114975
H    3.6468559665  -0.1587341199  -2.6499492460
H    1.9535790494  -0.5881583450  -2.5959990316
H    2.4583876566   1.0574853631  -2.1973255260
H    1.4732417534   3.5608968363  -0.5861822794
H    0.8343268556   1.9971427593  -1.0302518609
H   -0.8114447152   3.8500613242  -1.2714641015
H   -0.7687260288   4.1216694771   0.4596552330
H   -0.1140728162  -0.6956897237  -2.1689581326
H    0.4333011939  -3.4324300317   0.9775934631
H   -1.4509067753   1.4951924073  -2.1105306906
H   -2.1586059948   2.7747772186   1.9095392831
H   -0.8490527234  -3.1955850890  -2.9816490656
H   -2.9749747466  -0.3991772248  -1.7815120023
H   -3.6884291836   0.8857834443   2.2455016894
*