! 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  -5.4450527745   3.3467337478   1.5416241947
O    1.9601137856   1.4254394225   0.5656322845
O    3.3284698310  -2.2317512590  -1.5399582897
N    2.6188002819  -0.6131122502  -0.1205826248
N    1.5453179723  -2.7058690555  -0.2211290357
N   -0.1436979953  -4.1082313084  -0.3731088854
C    1.5910456757   0.0774035009   0.7213489784
C    3.7140560087   0.3246697200  -0.4724677988
C    3.3613386129   1.4780533041   0.4649924737
C    0.1524713190  -0.0554661127   0.2289685981
C    1.6918174420  -0.3131705892   2.1937591599
C    5.0950375173  -0.2234286563  -0.1455883468
C    3.6249869925   0.7874837071  -1.9249477885
C   -0.0872255512   0.3045689427  -1.2298535409
C    2.5735842929  -1.8243074960  -0.6826473797
C   -1.5377234638   0.0615390818  -1.6578790368
C   -2.5310922312   0.8709617820  -0.8720876594
C    1.4646348650  -3.3473895339   0.9903856953
C    0.5663592278  -3.2233118694  -1.0101583085
C   -2.6621925238   2.2408778728  -1.0917069680
C   -3.3202601872   0.2878507614   0.1144998371
C    0.4106284949  -4.2007335044   0.8738140625
C   -3.5516910079   3.0084684143  -0.3564940203
C   -4.2167561278   1.0383701164   0.8624792721
C   -4.3244233366   2.3969470256   0.6188542598
H    3.8444590755   1.3624755448   1.4441552441
H    3.6513934911   2.4475462949   0.0593495631
H   -0.4387074086   0.6057916735   0.8691958337
H   -0.2182052482  -1.0591898285   0.4421847502
H    2.7231157448  -0.3436891622   2.5461528532
H    1.2421930384  -1.2827239273   2.3908445771
H    1.1484753792   0.4193609895   2.7922722977
H    5.8152167329   0.5966999764  -0.1576423129
H    5.4330884532  -0.9647898093  -0.8655508706
H    5.1204843967  -0.6692901423   0.8500611597
H    2.6645419794   1.2588147464  -2.1378694774
H    4.4046644622   1.5265997711  -2.1164259075
H    3.7687459693  -0.0297725184  -2.6272940744
H    0.1727891714   1.3512698697  -1.4038013422
H    0.5571414005  -0.2816022784  -1.8904628982
H   -1.7735123043  -1.0012451844  -1.5583457596
H   -1.6299477308   0.2990350373  -2.7204601753
H    2.1689534606  -3.1787231759   1.7861893229
H    0.4194087053  -2.8987778461  -2.0287829358
H   -2.0641044126   2.7249545458  -1.8549018149
H   -3.2430849844  -0.7753573591   0.3077813858
H    0.0331250924  -4.8834570417   1.6186991574
H   -3.6415126923   4.0695155454  -0.5466476724
H   -4.8220805211   0.5631769959   1.6225959187
*