! 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  -1.1284437864  -0.2742024765  -2.3671856856
Cl  -2.7481663779   3.7060077571   0.8036119655
F    2.9498283580   0.9406413654   1.3537850263
F    4.2478971424  -0.5847865843   0.5519444897
F    4.7422395794   1.8882761830  -0.4417816479
F    2.6833330846   2.0540889463  -1.1526009954
O    2.1537304585  -0.4405531107  -0.2097238352
N   -1.8881704660  -2.9464490745   0.4762510547
N   -2.0482654515  -3.6534077915  -0.6426194840
N   -4.0243025572  -2.9213260664   0.1095768050
C    0.1176908004  -1.5675387882   0.1898095602
C   -0.5704997012  -2.6723209587   0.9939391317
C    1.5656686065  -1.4362187586   0.6341633207
C   -0.6150846696  -0.2536981641   0.3077868611
C   -1.1956187031   0.4020676912  -0.7734642347
C   -0.7305483897   0.3627310543   1.5523233386
C    3.2154459764   0.2357110195   0.2259815342
C   -1.8528131163   1.6168291738  -0.6344023611
C   -1.3817913728   1.5698310151   1.7269459826
C   -3.0713845684  -2.5080019831   0.9095509242
C   -1.9368894428   2.1906233326   0.6203836342
C    3.6775305963   1.1813440197  -0.8819798463
C   -3.3428762124  -3.6139833292  -0.8226506453
H    0.1291271939  -1.8945165324  -0.8511635232
H    0.0087927456  -3.5936278659   0.9438997470
H   -0.6686184904  -2.4080234638   2.0461231912
H    1.6352810076  -1.1622009595   1.6893346032
H    2.0879112736  -2.3854188011   0.4964462486
H   -0.2991008633  -0.1096757809   2.4266315967
H   -2.2902612324   2.1038414110  -1.4946250853
H   -1.4492415455   2.0164153129   2.7090859019
H   -3.1886948517  -1.9114978623   1.8005244038
H    3.9484462251   0.6424394855  -1.7903476409
H   -3.8164182825  -4.1092628918  -1.6556413708
*