! 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  -6.1409444414   1.5989157595  -1.3603349009
O    2.3265188785   1.7032095864  -0.0693095541
O    2.5838484295  -1.7094697509   2.2405899349
N    2.2165736730  -0.5048085644   0.3495428407
N    1.8719064845  -2.8252896296   0.4000659427
N    0.5563627687  -4.4003999260  -0.3947600632
C    2.4290476237   0.8147060739   1.0140004090
C    2.2822766734  -0.3626919666  -1.1316051118
C    2.8559679842   1.0559048328  -1.1973668266
C    1.3379668202   1.1400195696   2.0331270179
C    3.8141495673   0.9339288228   1.6486141624
C    3.2345767907  -1.3372517865  -1.8102004920
C    0.9139215049  -0.3861890255  -1.8031107632
C   -0.1045157205   1.0829564839   1.5331655744
C    2.2623752519  -1.6289603888   1.0740759472
C   -0.6138654648   2.3828603246   0.9031952295
C   -1.9976798778   2.2278928712   0.3397531754
C    2.6338067581  -3.9652749557   0.3238350811
C    0.6221744730  -3.1554328260  -0.0246238351
C   -2.2089985530   2.1742958733  -1.0347531868
C   -3.1036586786   2.0890499816   1.1764285616
C    1.8082975763  -4.9148306325  -0.1910955772
C   -3.4757954299   1.9830679254  -1.5679241180
C   -4.3772905517   1.8964350467   0.6652897735
C   -4.5520393403   1.8420516680  -0.7090496145
H    3.9532885404   1.0409424197  -1.1825192108
H    2.5395077345   1.5888330558  -2.0938964067
H    1.5559225816   2.1348360087   2.4342482934
H    1.4580934991   0.4576372577   2.8746548694
H    3.9056584034   0.3360465687   2.5504908040
H    3.9872461565   1.9761350663   1.9196980398
H    4.6079427824   0.6294021191   0.9654142322
H    2.8034824060  -2.3256196491  -1.9584002083
H    4.1706002999  -1.4422578911  -1.2602382229
H    3.4800997052  -0.9504055378  -2.8010324551
H    1.0273313493  -0.1373080290  -2.8592624551
H    0.4419519881  -1.3646362866  -1.7619752298
H    0.2305341172   0.3408992292  -1.3649996274
H   -0.2324036128   0.2556182457   0.8298824890
H   -0.7482599598   0.8377814419   2.3814890550
H    0.0625791369   2.7130258087   0.1154611204
H   -0.6082537208   3.1672100230   1.6655020497
H    3.6712786761  -3.9856057350   0.6108160954
H   -0.1986077847  -2.4563411020  -0.0005597358
H   -1.3721960591   2.2919557468  -1.7128405693
H   -2.9762360979   2.1350508616   2.2515001565
H    2.0489725212  -5.9390975841  -0.4287127220
H   -3.6151232571   1.9466375278  -2.6398775103
H   -5.2217695430   1.7924663175   1.3331138477
*