! 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  -3.3425912863   3.2097314237  -3.1502877222
O    1.6732687256   1.2412625307   0.6785197517
O    2.3934977197  -2.6292167729  -1.3413269899
N    1.6528477959  -0.8325367172  -0.1749689376
N    1.7708569877  -2.9619565034   0.8170406317
N    0.7770546221  -4.3716399825   2.1839421303
C    1.3666644009  -0.0698074350   1.0821566352
C    1.7136043938   0.0941342681  -1.3339021677
C    1.2473074428   1.3827415387  -0.6533903192
C   -0.1197091674  -0.1868341494   1.4480380586
C    2.2836060817  -0.3924148387   2.2464418616
C    3.1410910861   0.2727457001  -1.8457179204
C    0.7586917631  -0.2913342291  -2.4530635533
C   -0.6082147669   0.8589562146   2.4488503029
C    1.9685245212  -2.1201893720  -0.3260155397
C   -2.1229883913   1.0874972890   2.3524909358
C   -2.5124483451   1.6327028245   1.0068553850
C    2.7709591185  -3.6359347636   1.4727438316
C    0.5913461166  -3.4640601388   1.2693758363
C   -3.1131182657   0.8294471520   0.0419569216
C   -2.1954232111   2.9449649589   0.6593921450
C    2.1329728729  -4.4814146675   2.3268329282
C   -3.3753679037   1.3038698282  -1.2361388943
C   -2.4522229550   3.4398537549  -0.6093142081
C   -3.0354382294   2.6077466050  -1.5525432581
H    1.7127128969   2.2705058941  -1.0817519386
H    0.1584326350   1.5085796614  -0.7218173471
H   -0.3142461789  -1.1793956799   1.8539884565
H   -0.7056605639  -0.1239672140   0.5281313349
H    2.2047618110   0.4076869484   2.9840566373
H    3.3264839944  -0.4508704329   1.9338461930
H    2.0134616592  -1.3159191696   2.7522172272
H    3.1472299042   1.0271820249  -2.6342921315
H    3.5506395125  -0.6430724926  -2.2647279289
H    3.8065235377   0.6173227085  -1.0524112722
H    0.6716871396   0.5445434910  -3.1505749865
H    1.1009785059  -1.1550638134  -3.0194416949
H   -0.2410295091  -0.5029669786  -2.0684623976
H   -0.3630243821   0.5494326361   3.4675960960
H   -0.1044505948   1.8139741055   2.2876028609
H   -2.4215439286   1.7851301731   3.1386691450
H   -2.6547120868   0.1524882103   2.5461949763
H    3.8141469463  -3.4374715173   1.2930979685
H   -0.3584511871  -3.1492451493   0.8668241167
H   -3.3765284616  -0.1940330095   0.2812686868
H   -1.7314788760   3.5990522037   1.3884875558
H    2.5799528430  -5.1613927109   3.0350259098
H   -3.8347438503   0.6570380281  -1.9714773592
H   -2.1945018305   4.4609341897  -0.8568765754
*