! 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   2.4782697608  -0.7440793768  -1.5739621869
Cl   0.2807199780  -5.3553866637  -0.0646678350
O   -1.0127968116   1.1322235243   0.5830386092
O    0.3730770660   1.2761142600  -1.1549917298
N    1.3511712024   2.6328982403   1.0946128792
N    2.1609522978   3.3369410234   0.3017973060
N    0.8663073026   4.7049094684   1.5116148211
C    0.2237134495   0.6936306466   0.0974403979
C   -1.8268162010   1.5676180789  -0.5089767129
C   -0.9210505215   1.3404401673  -1.7183516187
C   -3.1406444316   0.8177951399  -0.5782536292
C    1.3158789378   1.1965987600   1.0447884248
C    0.2613296998  -0.8348436156   0.0310074260
C   -4.0338357412   1.0172028793   0.6392992406
C    1.2216495422  -1.5432237128  -0.6904797226
C   -0.6744790990  -1.5797618298   0.7427347290
C   -5.3671123631   0.2989306196   0.5009791299
C    1.2332513467  -2.9299936140  -0.7271427405
C   -0.6847006815  -2.9639254578   0.7272223878
C    0.5804902477   3.4601669099   1.8057774616
C    0.2722732981  -3.6285731051  -0.0183843932
C    1.8394353629   4.5708905522   0.5884588110
H   -2.0222166032   2.6364547844  -0.3686608882
H   -1.1727074195   0.4110939056  -2.2452402702
H   -0.9513040351   2.1596805180  -2.4355680349
H   -2.9485101679  -0.2490505851  -0.7348240812
H   -3.6658367882   1.1678529077  -1.4738426936
H    2.2980703882   0.8459474316   0.7356903248
H    1.1259931956   0.8056924133   2.0442626062
H   -4.2086154709   2.0867628897   0.7907058929
H   -3.5223902367   0.6610560136   1.5375986058
H   -1.4226362768  -1.0693308053   1.3322620268
H   -5.9276200626   0.6613027834  -0.3630975905
H   -5.2292592770  -0.7769219451   0.3748555682
H   -5.9921496370   0.4470046358   1.3826875814
H    1.9850415418  -3.4533388506  -1.3015408328
H   -1.4305852508  -3.5080768532   1.2894632847
H   -0.1508366816   3.1176350520   2.5203431969
H    2.3266895363   5.4100007851   0.1165279301
*