! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -5.4461481354   1.5759316887  -2.0968080641
O    1.5074873443   1.4218157925  -0.2138494349
O    2.1073896626  -1.6816875339   2.4465626640
N    1.8205900451  -0.7278772730   0.4057248623
N    2.1091004929  -3.0459493683   0.6364062252
N    2.9417384843  -5.0384617864   0.2185002409
C    1.5462101744   0.6370307612   0.9536212524
C    2.0505655997  -0.6612196992  -1.0616513248
C    2.3547961623   0.8322151754  -1.1643163328
C    0.1704385697   0.6671564094   1.6197066836
C    2.6682621578   1.1377518034   1.8615400999
C    3.2447104986  -1.4593943703  -1.5637725376
C    0.7932679009  -0.9893555319  -1.8615252704
C   -0.2701120655   2.0016547759   2.2177487878
C    2.0147258752  -1.7552674270   1.2390493769
C   -0.6592893506   3.1088280570   1.2309843094
C   -1.8448498383   2.7433116495   0.3815210122
C    1.1162236173  -3.7545524436   0.0046783758
C    3.1768114635  -3.8780821480   0.7580399318
C   -3.1340244918   2.8170407381   0.9061695806
C   -1.6994121795   2.2948905452  -0.9288386328
C    1.6558261270  -4.9787477000  -0.2451884634
C   -4.2443514624   2.4611708312   0.1562545211
C   -2.7976274550   1.9333900847  -1.6968270650
C   -4.0648169866   2.0195610262  -1.1452996865
H    3.4127137126   1.0343367682  -0.9527401459
H    2.1225284861   1.2382028412  -2.1483041490
H    0.1768058313  -0.0649106593   2.4277357269
H   -0.5688753598   0.3178043037   0.8940044100
H    3.6525673945   0.9203888306   1.4440998608
H    2.6237681684   0.7049388075   2.8569112052
H    2.5887137537   2.2202363501   1.9637467618
H    4.1118834577  -1.3528645260  -0.9114112048
H    3.5271125931  -1.0714379911  -2.5443851569
H    3.0298979855  -2.5176872465  -1.6985930556
H    0.5319268517  -2.0433219209  -1.8013754114
H   -0.0658663511  -0.4068946512  -1.5274398902
H    0.9610990614  -0.7639236502  -2.9157058784
H   -1.1352069645   1.7970847868   2.8544165502
H    0.4988766101   2.3841264285   2.8928249852
H    0.1856023345   3.3768599156   0.5985649490
H   -0.9013872574   4.0011178064   1.8130709246
H    0.1292877285  -3.3565488698  -0.1549375001
H    4.0969647540  -3.5634987970   1.2258008963
H   -3.2830190371   3.1675333593   1.9209589133
H   -0.7115794202   2.2240110973  -1.3645060331
H    1.1810567590  -5.8209311733  -0.7237559955
H   -5.2358227473   2.5331291519   0.5829713810
H   -2.6604188130   1.5906281187  -2.7136961178
*