! 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  -5.6011426122   0.1998635002   1.0445484960
O    3.1659947998   1.6687170698   0.4693717782
O    0.1753029728  -1.0397624652   1.3433994571
N    2.0424930911  -0.2751526688   0.3014262399
N    1.0675812720  -2.3249358767  -0.2982028489
N    0.6330181265  -3.6229837074  -2.0217772429
C    2.0137705122   1.0497675140   0.9848454068
C    3.3541415678  -0.4921002491  -0.3666807305
C    4.1279568434   0.6635333633   0.2765523964
C    0.8018956090   1.8904875750   0.5950757114
C    2.1269221384   0.9208738740   2.5027510903
C    4.0198019202  -1.8160054778  -0.0188406986
C    3.3030342364  -0.2873278629  -1.8775131465
C    0.5679006808   2.0462542446  -0.9002227941
C    1.0627988547  -1.1574557676   0.5261224505
C   -0.6910566993   2.8591520421  -1.2159863708
C   -1.9417692704   2.2250643898  -0.6742563836
C    1.0854471235  -3.6145253368   0.1734417631
C    0.7656717302  -2.3918678021  -1.6231342389
C   -2.6181476284   2.7708194184   0.4120102438
C   -2.4290387342   1.0390571224  -1.2205531105
C    0.8402089330  -4.3967362749  -0.9118015998
C   -3.7436446920   2.1591686333   0.9466773936
C   -3.5502371659   0.4115724750  -0.7020718376
C   -4.1989317888   0.9791643561   0.3839345416
H    4.5880363922   0.3518506246   1.2231914135
H    4.9177337653   1.0447751425  -0.3707360914
H    0.9399200057   2.8769211807   1.0496569892
H   -0.0813642005   1.4647265986   1.0719421419
H    2.2852099919   1.9111975462   2.9320622577
H    2.9645679576   0.2879749677   2.7995201245
H    1.2252908557   0.5064485220   2.9453332854
H    3.6188626982  -2.6582518577  -0.5797079971
H    3.9486971712  -2.0403031812   1.0464737143
H    5.0805620445  -1.7490084367  -0.2683518784
H    2.8409752141   0.6626626191  -2.1455258303
H    4.3197196137  -0.2849529032  -2.2736697706
H    2.7700249749  -1.0848151426  -2.3901472188
H    1.4230442983   2.5375850234  -1.3688469819
H    0.4768531966   1.0657305378  -1.3761116224
H   -0.7712434264   2.9655255818  -2.3008735082
H   -0.5860194641   3.8697435204  -0.8133767389
H    1.2917149200  -3.8488340471   1.2043194038
H    0.6235667618  -1.5112706458  -2.2299852716
H   -2.2631350712   3.6920238415   0.8585441789
H   -1.9287763723   0.5898586232  -2.0709079264
H    0.8042506343  -5.4740197694  -0.9534197355
H   -4.2527946344   2.6004444676   1.7930895330
H   -3.9116524056  -0.5084924268  -1.1414765639
*