! 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   4.9471410114   3.7771187913  -0.7460321620
O   -1.7719753564  -0.7121652642   1.6533906690
N   -1.4803982580  -2.8663107164   0.0080820510
N   -1.9681866600  -3.4321195023   1.1161949072
N   -0.2042647913  -4.5835311124   0.3730969595
C   -2.0293708851  -0.4130165640   0.3009394135
C   -3.3810940005   0.3767575688   0.1767328019
C   -0.8389663994   0.4460599548  -0.1487837718
C   -2.1290295036  -1.7097081640  -0.5648791751
C   -4.5001952701  -0.3777189826   0.9066743202
C   -3.2637186732   1.7582293181   0.8283506359
C   -3.7915641095   0.5711425951  -1.2873494882
C    0.5187418283  -0.2648875437  -0.1591052054
C    1.6413375392   0.7236123910  -0.3104433123
C   -0.4331924507  -3.5675986919  -0.4259066599
C    2.1599858135   1.0426621289  -1.5617954335
C    2.1653382503   1.3766848380   0.8030494561
C   -1.1690626471  -4.4534907788   1.3010652898
C    3.1735367151   1.9794450539  -1.7068919413
C    3.1782604804   2.3150142355   0.6801541946
C    3.6756004608   2.6089348032  -0.5798952033
H   -0.7652176135   1.3000493437   0.5277439834
H   -1.0296762193   0.8579485320  -1.1428142975
H   -3.1664172181  -1.9957736617  -0.7288145482
H   -1.6998391894  -1.5464732098  -1.5525579557
H   -4.3424314442  -0.4020629199   1.9859825498
H   -4.6302230059  -1.4073928135   0.5662800324
H   -5.4541891793   0.1255110633   0.7392958755
H   -2.8794822087   1.6976585290   1.8474380249
H   -4.2483098839   2.2270976996   0.8800611909
H   -2.6229222893   2.4367657520   0.2639519682
H   -3.0259501389   1.0840315910  -1.8717141937
H   -4.0249834500  -0.3657625954  -1.7958151558
H   -4.6931209126   1.1849303502  -1.3393119061
H    0.5722928684  -0.9807407272  -0.9814003748
H    0.6530982633  -0.8256596975   0.7673411068
H   -2.2727584000  -1.4906996244   1.9287760519
H    0.1175815773  -3.3134040523  -1.3175459111
H    1.7736733677   0.5510298752  -2.4468082750
H    1.7821855382   1.1484349913   1.7907207778
H   -1.2896652602  -5.1283062686   2.1341859642
H    3.5660364838   2.2095857485  -2.6883142466
H    3.5756219541   2.8058793283   1.5584821177
*