! 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   5.3064754177   3.2719084174  -0.5207473937
O   -1.8629363988  -1.2146799541   1.3687149814
N   -0.7668083142  -2.8272666787  -0.7061866723
N    0.3779096116  -2.6631236657  -1.3745745240
N    0.5780925596  -4.3243678249   0.1110873009
C   -1.9164610174  -0.7536086783   0.0370340109
C   -3.1680388063   0.1165812156  -0.2366461282
C   -0.7058238555   0.2012452885  -0.2132840106
C   -2.7148281068   1.5205533002   0.1487174962
C   -1.3225241371   1.5928483902  -0.4593644925
C   -4.4973291154  -0.3726136884   0.3683883876
C   -1.9020500628  -1.9578198314  -0.9140530030
C    0.3261446361   0.2015806917   0.9232661628
C   -4.7427433862   0.0875630936   1.8052027297
C   -5.6663913365   0.0694150779  -0.5083736328
C    1.5630426527   0.9771365099   0.5649744623
C   -0.6306460731  -3.8168836642   0.1780305643
C    1.8296864263   2.2213939914   1.1279090378
C    2.4816136377   0.4626349480  -0.3490894070
C    2.9736092837   2.9365242138   0.7994813760
C    3.6309336364   1.1579329795  -0.6886264126
C    1.1523086903  -3.5830028858  -0.8550640888
C    3.8676485950   2.3949672223  -0.1078150514
H   -3.2944661786   0.1190843072  -1.3280176376
H   -0.1861740306  -0.1259852985  -1.1164979474
H   -2.6597807284   1.6277076529   1.2353558449
H   -3.3829404291   2.3011842895  -0.2199814214
H   -1.4007987014   1.7826374865  -1.5328061612
H   -0.7175900140   2.4011611134  -0.0451984559
H   -4.5021946437  -1.4715104843   0.3608574730
H   -1.8805662086  -1.6296666842  -1.9523718547
H   -2.8072050814  -2.5567891506  -0.7856773027
H    0.6172351413  -0.8237706727   1.1622992549
H   -0.1113159052   0.6198436219   1.8324596112
H   -2.6606038107  -1.7199172987   1.5614948886
H   -3.9181578965  -0.1396464394   2.4806999410
H   -4.9124151198   1.1654431233   1.8523840070
H   -5.6357134327  -0.3943824620   2.2087987194
H   -5.5889768564  -0.3360658767  -1.5189899476
H   -5.7099486228   1.1581427280  -0.5910719514
H   -6.6199236075  -0.2636855142  -0.0934700450
H   -1.4273530840  -4.1405357665   0.8287546817
H    1.1383873694   2.6461048390   1.8459475039
H    2.3010064638  -0.5043277486  -0.8049188089
H    3.1611686297   3.9010334244   1.2520560898
H    4.3345125306   0.7360006502  -1.3936662533
H    2.1692945179  -3.7247260489  -1.1883797259
*