! 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   0.3346701856  -0.7219056365  -2.1734927255
Cl  -4.4424397791  -1.2962732740   0.1585399991
O    3.5707332966  -1.3783351216   0.4510787597
N    2.2421175159  -1.6093884164   0.2694323540
N   -0.4940621927   3.4362402860   0.6511381310
C    1.9166818260   0.6233145390   1.3264527561
C    1.4942875214  -0.6731322214   0.6856034257
C    0.0347949613  -0.8773460478   0.5191688288
C    1.2448659077   1.7833324814   0.6454160741
C   -0.5889752129  -0.8966563670  -0.7250159457
C   -0.7698548283  -0.9863870665   1.6499634509
C    1.6579278124   2.2208839539  -0.6072724916
C    0.1597790972   2.4335993487   1.2218660422
C   -1.9642482474  -1.0269482454  -0.8468614905
C   -2.1434521477  -1.1234734294   1.5581986506
C   -2.7274041193  -1.1400928022   0.3021627864
C    0.9849751301   3.2683638604  -1.2131284161
C   -0.0869561998   3.8401484457  -0.5455119235
C    4.3268526869  -2.4311854871  -0.1157158878
H    1.6334179222   0.5985643665   2.3831371463
H    2.9989668664   0.7393142960   1.2969421578
H   -0.3114229535  -0.9687292738   2.6306622549
H    2.4990963246   1.7511951313  -1.1028830092
H   -0.1943371883   2.1252254624   2.2010700341
H   -2.4294023637  -1.0332633318  -1.8227068945
H   -2.7441838519  -1.2115628079   2.4525836092
H    1.2814030155   3.6362198513  -2.1859528713
H   -0.6363411237   4.6603680571  -0.9940940872
H    4.0964359695  -3.3934211246   0.3476885833
H    5.3715556044  -2.1900306365   0.0737855774
H    4.1721956265  -2.5075148470  -1.1945539642
*