! 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  -4.1360480476  -0.7218704513  -0.0472582195
O    1.4596624302   0.9667538581  -0.2823780439
O    2.3466485651  -0.6321591025   1.6086971729
O    3.3003248871  -2.0218052123   0.1392540970
C    2.5093373268   0.0998944299  -0.6397465716
C    0.1876626880   0.5066334634  -0.2565637178
C   -0.7745009415   1.4373829947   0.1613524861
C   -0.1867333646  -0.7808811745  -0.6174537251
C    3.7673875492   0.9418992609  -0.7780221589
C   -2.1005304650   1.0371843904   0.2167741284
C   -0.3710779209   2.8304053993   0.5377159798
C   -1.5204684164  -1.1656935874  -0.5549720143
C   -2.4679118695  -0.2545977617  -0.1361697321
C    2.7507457304  -0.9820224970   0.4016360523
H    2.3067562993  -0.3933992507  -1.5958812704
H    4.0306761121   1.4301650260   0.1608777134
H    3.6209725351   1.7068684803  -1.5398646360
H    4.6039663146   0.3179712206  -1.0887720480
H    0.5316977986  -1.5142701766  -0.9594682936
H   -2.8531929131   1.7446487935   0.5416520464
H   -1.2360927027   3.4129022891   0.8512524199
H    0.3479406525   2.8373966407   1.3590768642
H    0.0947275587   3.3557829292  -0.2986125255
H   -1.7997465818  -2.1716328222  -0.8365556751
H    2.5443456688  -1.3366925227   2.2454675818
*