! 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   4.2361211944  -1.6007418975  -1.4037597327
O   -3.6366411428   1.9147969083   0.5877778500
O    1.3550391004  -2.0634599846  -0.4580204133
N    0.0647621362  -0.2782646616   0.1104436555
N    4.5314546192   0.6189465506  -0.0042832676
N    3.9032868976   1.5184295361   0.7575861743
C   -4.5273037691   0.8148587550   0.3748685183
C   -3.5998928663  -0.3542828696   0.1843254153
C   -2.2850930429   1.5869719449   0.3134942304
C   -2.2944690756   0.0882671088   0.1771780438
C   -5.3805811985   1.0680896221  -0.8640484369
C   -5.4000583192   0.6583378894   1.6123135458
C   -1.2286856859  -0.8046001104   0.0531267653
C   -3.9079354933  -1.6964456621   0.0377282604
C   -1.7997825094   2.3154379614  -0.9335664264
C   -1.5289989988  -2.1609271123  -0.0903877312
C   -2.8532668823  -2.5856121092  -0.1016938088
C    1.2567509208  -0.9009286122  -0.1105034307
C    2.4404550107  -0.0557295196   0.0932977651
C    2.6453579493   1.1401258529   0.8289913834
C    3.6979877110  -0.3397119771  -0.4114693028
C    1.6774305249   1.9423406579   1.6278309143
C    5.9391277998   0.7511244673  -0.2991617609
H   -1.6811438072   1.9115813524   1.1733170372
H   -5.9835831727   1.9694668540  -0.7409791132
H   -6.0624090588   0.2352911758  -1.0416616473
H   -4.7644827220   1.1891378793  -1.7560294281
H   -5.9967125488   1.5565557050   1.7818523190
H   -4.7953874099   0.4755407454   2.5014173258
H   -6.0907242341  -0.1778777118   1.4977325034
H   -4.9315825730  -2.0492713882   0.0382080859
H   -1.9241937109   3.3925133969  -0.8166124760
H   -0.7412958622   2.1348481821  -1.1295251828
H   -2.3517932185   1.9966272099  -1.8183986547
H   -0.7482034165  -2.8960008829  -0.1886884268
H   -3.0532973434  -3.6432963870  -0.2145192043
H    0.1130078686   0.7062183756   0.3086159159
H    1.0819291219   1.3198755324   2.2961044555
H    2.2123735277   2.6661163609   2.2404893250
H    0.9981714285   2.5190382951   0.9935984435
H    6.2967169574   1.6481158137   0.1954789822
H    6.4965604135  -0.1057032774   0.0745882146
H    6.1034260358   0.8484103008  -1.3706964140
*