! 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   4.6330270311   3.8235378729   0.9991482512
O   -2.2863525405  -1.3901994590   1.3313217108
N   -1.1550660400  -2.8309020158  -0.8352864377
N   -0.2418794458  -2.9923941262  -1.7972266895
N    0.0756748546  -4.4924270542  -0.1699553558
C   -2.1811056260  -0.7216851564   0.0979900935
C   -3.3651600324   0.2720927398  -0.1830730653
C   -0.9585727119   0.2199844606   0.0226342788
C   -2.7855866949   1.2120210412  -1.2628874016
C   -1.2501798250   1.1014161002  -1.1887230329
C   -2.2021720676  -1.8361570009  -0.9561048212
C    0.4397857634  -0.3988952313   0.0416953679
C   -3.6970275617   1.0651962431   1.0871816802
C   -4.6602105818  -0.3922271588  -0.6463326144
C    1.4985539931   0.6437705469   0.2765725953
C   -0.9591632552  -3.7393486732   0.1238134793
C    1.8020818992   1.0726291107   1.5668882193
C    2.1861134047   1.2267675109  -0.7842380434
C    2.7602501415   2.0473590203   1.7996234714
C    3.1469334566   2.2054796628  -0.5738815228
C    0.4769992437  -3.9925649312  -1.3534287934
C    3.4268750164   2.6078391393   0.7214919836
H   -1.0232849705   0.8528249487   0.9172725386
H   -3.1260866772   2.2366732066  -1.1026524031
H   -3.1425511746   0.9275442874  -2.2549580898
H   -0.8549591393   0.6335569645  -2.0945848353
H   -0.7651921503   2.0741442097  -1.1082585945
H   -2.1257869356  -1.4298363718  -1.9628106011
H   -3.1534163362  -2.3639298493  -0.8927755075
H    0.6454898954  -0.9065211395  -0.9007558377
H    0.4985207763  -1.1496523970   0.8342017733
H   -4.1241373238   0.4309270461   1.8666668721
H   -2.8415064485   1.5926412928   1.5126893202
H   -4.4446610385   1.8252342767   0.8549633812
H   -5.0125745790  -1.1397957967   0.0681672356
H   -5.4480314800   0.3580771436  -0.7404111978
H   -4.5719134907  -0.8714193811  -1.6220251866
H   -2.1316819020  -0.7652639416   2.0473796700
H   -1.5833761614  -3.8237343272   0.9972376665
H    1.2901453148   0.6335870815   2.4152578215
H    1.9783201245   0.9123629442  -1.7999896312
H    2.9858677707   2.3592379640   2.8106368141
H    3.6712511379   2.6423898520  -1.4130909037
H    1.3184145087  -4.3784081360  -1.9078234144
*