! 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   1.4258194342   0.5028774940   2.9938983609
Cl  -7.5379005980   0.3510434709  -2.4045250443
O    2.7844388448  -0.6423218608  -1.1584817823
O    3.3664487305   0.3324793293   0.7816748740
O   -2.7516695970   1.8268665110   0.6296122156
N    3.7843640492  -2.4124864744   0.8991759695
N    4.3805312638  -3.0444033892  -0.1145999408
N    5.8184297880  -2.7455624171   1.5764388443
C    2.4160645994  -0.5059178118   0.1769276333
C    3.6673966557   0.4207543414  -1.5029290144
C    2.4410195132  -1.9073128281   0.8083655557
C    4.3526673180   0.6821815003  -0.1744880610
C    1.0280354854   0.1097584424   0.3137367758
C    4.5829179143  -0.0140748262  -2.6179055908
C    0.5153882579   0.5845168151   1.5203358154
C    0.2017858963   0.2077738693  -0.8015387120
C   -0.7544213401   1.1287871037   1.6134174240
C   -1.0650739106   0.7635342264  -0.7425123660
C   -1.5419690633   1.2228779430   0.4763102927
C    4.6552188434  -2.2336200425   1.8961170702
C    5.5941190527  -3.2286024062   0.3376437449
C   -3.8309060014   1.4363582376  -0.1123393251
C   -4.6929155854   2.4343378663  -0.5415967951
C   -4.1108453418   0.1021002437  -0.3770184015
C   -5.8419314834   2.1014308946  -1.2409473194
C   -5.2522136527  -0.2299600188  -1.0892482269
C   -6.1103668843   0.7706189309  -1.5173986014
H    3.0891002818   1.3008222247  -1.8123015779
H    1.8427109838  -2.5937119698   0.2107845492
H    2.0162083346  -1.8909221448   1.8099623170
H    5.2521217461   0.0665112867  -0.0550489821
H    4.6304843616   1.7279069618  -0.0387585563
H    5.1426690998  -0.9088453411  -2.3425952249
H    4.0258883047  -0.2212328780  -3.5319322341
H    5.2959331067   0.7799988693  -2.8419614690
H    0.5578599476  -0.1508885513  -1.7571984922
H   -1.1321713847   1.4876363840   2.5618431398
H   -1.6574031610   0.8359613760  -1.6449795600
H    4.3981637240  -1.7423256203   2.8213328390
H    6.3479513184  -3.7345054401  -0.2455084513
H   -4.4729657531   3.4715292641  -0.3246197379
H   -3.4563726067  -0.6879090363  -0.0321045064
H   -6.5140513753   2.8814481557  -1.5714431140
H   -5.4676562804  -1.2688968244  -1.2975752578
*