! 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  -0.8105881736   1.6321726849  -0.5069619929
Cl  -5.8088057214  -0.3682875618   0.1501751995
O   -0.0006026889  -1.0800092774   0.1840229514
O    2.7669690880  -0.7142657148  -1.9930423511
N    2.4034845135  -0.1331629665   0.1823551055
C    0.6583694626  -1.2717238321  -1.0697877769
C   -1.3453912997  -0.9093357346   0.1445135239
C    2.0569081307  -0.6673229448  -1.0038685189
C    0.7282347490  -2.7471904980  -1.4186383315
C   -3.2733357579   0.5600161083  -0.1925305959
C   -1.8960612116   0.3305557031  -0.1680118798
C   -2.1886318553  -1.9625443408   0.4567084032
C    3.6154208082   0.4426292090   0.5782657646
C   -4.0819213158  -0.5312944197   0.1291390663
C   -3.5574272518  -1.7723501138   0.4545935440
C   -3.8065125643   1.9135022879  -0.5402563487
C    3.6905485436   0.8753358634   1.9045164508
C    4.7254967540   0.5999811514  -0.2519271870
C    4.8492488285   1.4501011412   2.3950262088
C    5.8816299708   1.1785154057   0.2558561230
C    5.9571513480   1.6057903578   1.5723825130
H    0.1245527897  -0.7384842032  -1.8638997233
H    1.2819462656  -3.3093097382  -0.6659418042
H    1.2136686612  -2.8868956496  -2.3831274152
H   -0.2753899219  -3.1663629473  -1.4970580498
H    1.6902431626  -0.1652490703   0.8967829188
H   -1.7719408356  -2.9264123791   0.7173264113
H   -4.2146963101  -2.5936348295   0.7038289029
H   -3.4461245224   2.2365610965  -1.5173288038
H   -3.4839957878   2.6601839762   0.1867163733
H   -4.8917179865   1.9316617850  -0.5689783380
H    2.8342348953   0.7562327084   2.5584892568
H    4.7033587564   0.2802141215  -1.2806496179
H    4.8838262790   1.7758216914   3.4265530877
H    6.7358783035   1.2935295618  -0.3990020818
H    6.8651467974   2.0540490101   1.9532986421
*