! 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   1.0357089286  -0.7301364131  -2.5396888065
Cl  -7.0069051421   0.4894626941  -1.1481175896
O    4.0673214941  -0.1296016448   0.7455375004
O    3.7281516713  -0.8559034629  -1.3348254961
O   -2.0641352931  -1.3379009858   1.4077901904
N    2.5355032897   2.2964931458   0.0457625652
N    1.2476424450   2.6131485638  -0.1079396819
N    2.0519048783   3.5015642357   1.7827577412
C    3.1905660531  -0.0398993691  -0.3438401397
C    4.8252261581  -1.3393606155   0.6403462321
C    3.1975063079   1.4020658365  -0.8680122644
C    4.3050404282  -1.9547029831  -0.6587348853
C    1.7845026724  -0.4614907386   0.0787309711
C    4.6503100455  -2.2248409698   1.8515481299
C    0.7655422783  -0.7476370693  -0.8271894376
C    1.4452673547  -0.4697367377   1.4283731024
C   -0.5222634150  -1.0498447429  -0.4160562064
C    0.1613478501  -0.7388833427   1.8670748970
C   -0.8225838557  -1.0290382650   0.9379825094
C    3.0005651330   2.8253831959   1.1814116588
C    1.0019512723   3.3366211608   0.9530799741
C   -3.1801797828  -0.8818117534   0.7654560471
C   -3.2472022603   0.3787123964   0.1847205065
C   -4.2893454613  -1.7151555850   0.7654084688
C   -4.4273475466   0.7977290942  -0.4088225837
C   -5.4729539056  -1.2907283172   0.1837588607
C   -5.5326675146  -0.0384414506  -0.4068022905
H    5.8787503625  -1.0613962000   0.5389168245
H    2.6837350569   1.4652174189  -1.8247554108
H    4.2274502244   1.7283604590  -1.0138739458
H    5.0942961115  -2.3759278475  -1.2801226683
H    3.5607629205  -2.7375699627  -0.4663409601
H    3.6115254832  -2.5310466884   1.9836050135
H    4.9830059300  -1.7262419743   2.7622631167
H    5.2529549133  -3.1271232444   1.7341473865
H    2.2000380027  -0.2385743421   2.1661882067
H   -1.2790289844  -1.2922420027  -1.1507173483
H   -0.0717467193  -0.7230912115   2.9236448807
H    4.0182390114   2.7020052239   1.5167673923
H    0.0299826173   3.7690201803   1.1342129471
H   -2.3944854259   1.0457852370   0.1892493624
H   -4.2320090113  -2.6940059011   1.2241373971
H   -4.4775382141   1.7785287988  -0.8619565838
H   -6.3358861600  -1.9426641081   0.1869830099
*