! 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   0.7980745239  -1.9953416550  -1.4698881457
Cl   5.0770440040   1.0512833073  -0.5888433923
O   -0.9935200027  -1.4747248048   0.7872238387
O   -1.1094099239   0.5717324074   1.6815996202
N   -1.4636369001   1.7470970031  -0.9053473697
N   -2.2482380988   2.6204196465  -0.2708279699
N   -0.7598709353   3.6939122365  -1.5535541644
C   -0.7353367279  -0.1250982693   0.5361713900
C   -1.9026864573  -1.5895741294   1.8845954816
C   -2.1935343049  -0.1350421925   2.2514857217
C   -3.1333430263  -2.3839893446   1.5023484313
C   -1.5798097855   0.3311849325  -0.6768286905
C    0.7403922467   0.1148248554   0.2751626280
C   -2.8375544630  -3.8196067753   1.0881697550
C    1.4858499589  -0.6535119904  -0.6181144477
C    1.3844777010   1.1874864078   0.8856931312
C   -4.0988892634  -4.5843777224   0.7186045917
C    2.8185648014  -0.3760244251  -0.8845263054
C    2.7121374459   1.4878855087   0.6343953037
C   -0.5773255337   2.4008856774  -1.6617289614
C    3.4202402365   0.6972297778  -0.2524849234
C   -1.7932199492   3.7718946099  -0.6915204258
H   -1.3763216046  -2.0941424619   2.7026089952
H   -3.1518755810   0.2084972117   1.8437112058
H   -2.1987711714   0.0416299100   3.3262695368
H   -3.6666172070  -1.8646774126   0.6982525091
H   -3.8067617621  -2.3835728698   2.3663487194
H   -2.6336272106   0.1008106936  -0.5187478272
H   -1.2711855960  -0.1954689834  -1.5785846095
H   -2.3219511563  -4.3345943700   1.9046219682
H   -2.1484515109  -3.8217824695   0.2398027859
H    0.8422855057   1.8170777315   1.5763561370
H   -3.8721267608  -5.6124867016   0.4328400667
H   -4.8020469318  -4.6234587380   1.5531145982
H   -4.6146674080  -4.1173706705  -0.1229663302
H    3.3740334510  -0.9910320489  -1.5788419265
H    3.1786440115   2.3310993002   1.1242592372
H    0.1593788224   1.9016573431  -2.2722946730
H   -2.2248944031   4.7067713159  -0.3688631257
*