! 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   1.4576269467  -0.7601149168   2.3924332760
Cl   4.1411816163  -3.3737684947  -1.3944632309
O   -1.3130239173   0.4115499534  -0.9739455051
O   -1.1396565961  -0.1399269928   1.1893659407
N   -0.8641143399   2.7006344350   0.5507121168
N   -1.4868962031   2.8375014085   1.7221525664
N   -2.3557387789   4.2355322363   0.2034165292
C   -0.4147109482   0.3218123571   0.0838838145
C   -2.3289056065  -0.5624488029  -0.7433054403
C   -2.4422339696  -0.5123705636   0.7714260443
C    0.1630270580   1.7192773401   0.3393064658
C    0.7326123344  -0.6348762436  -0.2449179797
C   -3.5728091542  -0.2451734206  -1.5476254376
C   -4.2372763160   1.0919123802  -1.2564616532
C    1.6019124720  -1.1542898708   0.7129084908
C    0.9706741461  -0.9786215776  -1.5725616232
C    2.6480690971  -1.9981371639   0.3683908863
C    2.0061995387  -1.8184351582  -1.9444112439
C   -1.3953769993   3.5341089794  -0.3468513251
C    2.8377700514  -2.3257385198  -0.9621084298
C   -2.3707360941   3.7676552493   1.4675691975
H   -1.9613087521  -1.5515040174  -1.0489371941
H   -3.1689093052   0.2286454374   1.1174407385
H   -2.7048188854  -1.4809675088   1.1992304507
H    0.7541953508   2.0275451685  -0.5228409236
H    0.8249598315   1.7079288180   1.2030304743
H   -4.2819903883  -1.0585563718  -1.3727354499
H   -3.3129015691  -0.3042102653  -2.6078327394
H   -4.6358486232   1.1473655171  -0.2429391298
H   -3.5532477854   1.9294478613  -1.3893579000
H   -5.0758919596   1.2462893736  -1.9362119479
H    0.3293647190  -0.5806653702  -2.3466929383
H    3.3054937464  -2.3891722882   1.1324036394
H    2.1580928402  -2.0663727084  -2.9856892358
H   -1.0480115091   3.5980541666  -1.3661415267
H   -3.0496848507   4.1297533240   2.2241138474
*