! 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  -6.0129972826  -0.9841220402   1.9726553602
F    1.4278478751  -2.7071524927   1.0600480223
F    3.3531626028  -2.0334032364   0.4513460840
F    2.2070356217  -0.9222446341   1.9222899847
O    3.9625268975   0.5550026601   0.4917703061
O   -1.7612065548  -1.0300540794  -2.0570193984
N    2.1539862827   2.8395642348   0.0070554352
N    2.1354682676   2.5224379137   1.3054981294
N    0.2046754720   3.4746713793   0.7164928249
C    3.4477850312   0.8837598147  -0.7694252765
C    2.1061603120   0.2025048628  -1.0827323589
C    3.2573067691   2.4204924229  -0.8261875278
C    4.4970706112   0.4787378774  -1.7980596920
C    1.4810303022  -0.8206411246  -0.3490428955
C    1.4248568761   0.6783909260  -2.2037594134
C    0.1866383815  -1.2195518611  -0.6764246790
C    0.1469790964   0.2779723435  -2.5424263534
C   -0.4879340042  -0.6483007549  -1.7403591216
C    2.1328868780  -1.6002533641   0.7707658813
C    0.9920590583   3.3973741653  -0.3318886744
C    0.9493704099   2.9229813987   1.6906682859
C   -2.7177334014  -0.9935525538  -1.0819974246
C   -2.7254645729  -0.0316711245  -0.0788341602
C   -3.7278225738  -1.9421898293  -1.1528189161
C   -3.7425909350  -0.0312922812   0.8626587892
C   -4.7493380976  -1.9351499985  -0.2172593224
C   -4.7463538717  -0.9837504893   0.7904840695
H    4.1737828359   2.8980797790  -0.4759297798
H    3.0696006374   2.7855047533  -1.8326902032
H    5.4288163680   1.0221321181  -1.6304654012
H    4.7088694978  -0.5881967885  -1.7250800662
H    4.1652065418   0.6835048735  -2.8151633546
H    1.8942602713   1.4155457182  -2.8415827143
H   -0.3121434128  -1.9903959253  -0.1058369085
H    3.4734562484   1.0527153887   1.1669422720
H   -0.3505422100   0.6963000159  -3.4076109347
H    0.7696253617   3.7320170122  -1.3328146373
H    0.6143234682   2.8147796925   2.7103720936
H   -1.9537908489   0.7257137609  -0.0192465964
H   -3.7184449963  -2.6864041984  -1.9386289251
H   -3.7466227624   0.7172255954   1.6432111031
H   -5.5344219963  -2.6766294143  -0.2747738621
*