! 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   0.1881163997  -1.1977827658   2.3835164232
Cl   1.0889344961  -5.3426170754  -0.8380422394
O   -0.7147678014   0.9573221298   0.6123855037
O    0.1404273544   1.2137764006  -1.4299270297
N    1.5516940617   2.6760510258   0.4916315663
N    2.0483665462   3.4748081626  -0.4548599807
N    0.9891401172   4.6775150742   1.1066024008
C    0.3797834484   0.6303385451  -0.1896949537
C   -1.8179362172   1.3380644034  -0.2090679897
C   -1.2618863247   1.1886061979  -1.6249236365
C   -3.0291779564   0.4719641775   0.0771496870
C    1.6537456791   1.2447199949   0.3946623614
C    0.5461759548  -0.8846470629  -0.3134946114
C   -4.2629266303   0.8748169195  -0.7281539683
C    0.4680762264  -1.7590921660   0.7693792239
C    0.8269736326  -1.4398148148  -1.5587317216
C   -4.8075953519   2.2548985965  -0.3847818146
C    0.6333844754  -3.1281158153   0.6171148918
C    0.9937999768  -2.8019155272  -1.7404923278
C    0.9152836009   3.4049880247   1.4112138665
C    0.8890381795  -3.6377489969  -0.6433370656
C    1.6928554478   4.6630114596  -0.0425616450
H   -2.0394854759   2.3879050180   0.0071535625
H   -1.5804559870   0.2473368097  -2.0895361653
H   -1.5332387002   2.0076466332  -2.2892653515
H   -3.2629694164   0.5248905494   1.1444015739
H   -2.7755050591  -0.5709673035  -0.1364493053
H    2.5075534291   1.0080883827  -0.2378982839
H    1.8541543498   0.8307250778   1.3815251040
H   -5.0419135338   0.1308433896  -0.5473484776
H   -4.0497797590   0.8194791524  -1.8006243642
H    0.9183622090  -0.7936095441  -2.4209452074
H   -5.0181367414   2.3425615954   0.6832578828
H   -4.1161775598   3.0570046236  -0.6486391928
H   -5.7392042271   2.4500798828  -0.9177872608
H    0.5640867321  -3.7837819193   1.4743129194
H    1.2027007217  -3.1973315326  -2.7248251724
H    0.4289098956   2.9757183982   2.2714842722
H    1.9553750208   5.5566815449  -0.5873583141
*