! 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   0.3773608483   0.2962601666  -2.3652269994
Cl  -2.7487096857   3.6095403771   0.3640042300
O    1.2325109610  -1.5017543635   1.8122440074
N   -0.7395553782  -2.5351662231  -0.1595007012
N   -1.1870969684  -2.7918634561   1.0730490754
N   -2.8926341994  -2.6917572438  -0.3638578652
C    1.1359283718  -1.0645774251   0.4775003683
C    2.5552442411  -0.6708281994   0.0508877967
C    0.6588653533  -2.2534629595  -0.3840569581
C    3.1639069061   0.4608733741   0.8714788520
C    0.1641196730   0.1233639293   0.3800105655
C    4.6052967421   0.7732178569   0.4769290705
C   -0.2217351166   0.7643190050  -0.7994848063
C   -0.3875178619   0.6345581707   1.5546406581
C    4.7585339985   1.3175451507  -0.9362907421
C   -1.1121099436   1.8289569272  -0.8150685885
C   -1.2748952895   1.6961719815   1.5741875184
C   -1.7675415039  -2.4708616606  -1.0041456543
C   -1.6367778776   2.2866936255   0.3784024801
C   -2.4835309738  -2.8787254324   0.9027719515
H    2.5516694907  -0.4044134868  -1.0057926483
H    3.1848128999  -1.5629927381   0.1381116630
H    1.2489078677  -3.1324521822  -0.1191963541
H    0.7947494921  -2.0825184453  -1.4472940014
H    2.5620905946   1.3683822011   0.7583515815
H    3.1359476943   0.2031978678   1.9323857731
H    5.2201410111  -0.1247923475   0.5941979288
H    5.0059453247   1.5049631602   1.1834872736
H    0.4231134445  -1.9881906550   2.0379636813
H   -0.1079217016   0.1969246584   2.5011525518
H    5.7916781836   1.6052281146  -1.1370074286
H    4.4775464212   0.5867803990  -1.6962105760
H    4.1370605133   2.2030044907  -1.0873988515
H   -1.3881311192   2.2919215568  -1.7522670940
H   -1.6726138334   2.0506896863   2.5149346084
H   -1.6523335770  -2.2707337836  -2.0579342816
H   -3.1537865141  -3.0851382993   1.7223449856
*