! 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  -6.9346231960   3.8975171718   0.5851693116
O    1.4675043259   0.9407542732   0.0973131198
O    1.2279078718  -3.1211940456   0.8070169390
N    2.1730003980  -1.2015519721   0.0449497660
N    3.2400421686  -3.2756889944  -0.2232814857
N    4.8651270380  -4.7570424642  -0.1681436206
C    0.9856169724  -0.3518179772   0.3748976997
C    3.3601978476  -0.3470626892  -0.2353164249
C    2.8426168476   0.9535243547   0.3781085600
C   -0.1725242248  -0.6530063077  -0.5766009231
C    0.5921627468  -0.4467658092   1.8476004465
C    4.6377643389  -0.7700410668   0.4741374608
C    3.5965493580  -0.1474500306  -1.7290371535
C   -1.4877537734   0.0700439595  -0.2898615226
C    2.1280636753  -2.5212148394   0.2571592477
C   -1.4673088077   1.5915810192  -0.4623935515
C   -2.8239293757   2.1890685647  -0.2156968167
C    3.6258979847  -3.4743001114  -1.5260477834
C    4.0057393302  -4.0921879286   0.5475815261
C   -3.7722752318   2.2808132988  -1.2314745677
C   -3.1820852821   2.6326208227   1.0550157591
C    4.6307544303  -4.3900631924  -1.4647489221
C   -5.0361950030   2.8016920542  -0.9956678899
C   -4.4402241993   3.1562488518   1.3127865452
C   -5.3595469886   3.2367113704   0.2796096796
H    3.0417159424   0.9897843859   1.4576672215
H    3.2909270458   1.8366997866  -0.0772143044
H   -0.3782426341  -1.7235802644  -0.5402782265
H    0.1591429863  -0.4332111618  -1.5956381278
H    1.4623482709  -0.4045771508   2.5038599940
H    0.0471967322  -1.3582320329   2.0752616828
H   -0.0500418311   0.3974970321   2.1010725693
H    5.1685898418  -1.5742815739  -0.0317990910
H    4.4540879555  -1.0604298287   1.5092848307
H    5.3158990505   0.0855266978   0.4948182849
H    2.6924703463   0.1809430271  -2.2422012360
H    4.3602169696   0.6177611906  -1.8773424755
H    3.9564987028  -1.0503561627  -2.2162671710
H   -2.2341938768  -0.3433122671  -0.9738667441
H   -1.8431622158  -0.1809612519   0.7131526508
H   -1.1294812429   1.8346301006  -1.4734488703
H   -0.7499254947   2.0451732069   0.2219743775
H    3.1305918873  -3.0045486081  -2.3576063457
H    3.8988673186  -4.1306387035   1.6204813036
H   -3.5249872153   1.9471445681  -2.2324179705
H   -2.4655511977   2.5763778774   1.8662334105
H    5.1872596583  -4.8098981984  -2.2881034310
H   -5.7558210572   2.8696029087  -1.8004772309
H   -4.6933438009   3.4995907902   2.3068977958
*