! 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  -0.3391102323  -1.0792897428   2.2159719678
Cl   0.6453240506  -5.2796721594  -0.9077482348
O   -0.7591594253   1.1618270370   0.2942080117
O    0.5412935891   1.3408441463  -1.5000593453
N    1.6300759092   2.6666103850   0.6863017347
N    2.3661285785   3.4003637767  -0.1500705533
N    1.1565303238   4.7217639679   1.1910664913
C    0.4474780897   0.7320111936  -0.2515984808
C   -1.6772374112   1.4137496785  -0.7662208289
C   -0.7709812352   1.5137868513  -2.0035604708
C   -2.7330325477   0.3299396045  -0.8981953036
C    1.6115174526   1.2312650268   0.6082692981
C    0.5008124304  -0.7919481305  -0.3754247671
C   -3.6120026114   0.1248372227   0.3307813239
C    0.1516069835  -1.6593409934   0.6586872631
C    0.9280381765  -1.3672796303  -1.5682813632
C   -4.4662724506   1.3296745158   0.6961773645
C    0.1920612807  -3.0368558412   0.5042753754
C    0.9790588944  -2.7386505347  -1.7511523342
C    0.9075296106   3.4666840211   1.4736119812
C    0.6011713299  -3.5644179070  -0.7078302696
C    2.0557098427   4.6226425291   0.1922152003
H   -2.1488912226   2.3760822503  -0.5534044087
H   -1.0119760223   0.7449628624  -2.7451404553
H   -0.8275503532   2.4867856865  -2.4910410338
H   -2.2506940336  -0.6156140946  -1.1652355401
H   -3.3626974470   0.5986760782  -1.7539492133
H    2.5566083172   0.9028511144   0.1787406586
H    1.5479827246   0.8200771859   1.6139913570
H   -2.9920907523  -0.1602268043   1.1835414575
H   -4.2656253576  -0.7297639569   0.1379020475
H    1.2297695342  -0.7303666849  -2.3879469658
H   -5.1499969142   1.0889626609   1.5115526770
H   -3.8675839988   2.1797489047   1.0257356192
H   -5.0717034803   1.6612245721  -0.1496676124
H   -0.0918530581  -3.6854465301   1.3214463987
H    1.3087787763  -3.1488831539  -2.6953758627
H    0.2364356354   3.0981372133   2.2323570443
H    2.4953297433   5.4789059322  -0.2951233698
*