! 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  -0.2622252248  -0.3069079000  -2.0203486054
Cl   4.9598113100  -0.1671135072  -1.0507883998
O   -1.6369414676  -0.4662038562   0.5084703164
O   -0.6510790790  -0.1016174300   2.4573346596
N   -1.1689006701   2.3531902052  -0.1907899198
N   -0.1033118420   2.9331209090  -0.7467784184
N   -1.8514518665   3.0010228926  -2.1441114549
C   -0.6690430857   0.3125048583   1.1204340821
C   -1.5342177110  -1.7689332475   1.0710270594
C   -0.9611105739  -1.4879709525   2.4719530423
C   -2.8916540808  -2.4387384829   1.0669171599
C   -1.1146078374   1.7751549103   1.1248129100
C    0.7231234835   0.1455571173   0.5034944626
C   -2.8249442610  -3.8687087155   1.5913207589
C    0.9865077685  -0.1146138115  -0.8393227175
C    1.8230507587   0.3266003390   1.3397868567
C   -4.1868541782  -4.5439539297   1.6091398460
C    2.2854728653  -0.2211015683  -1.3198438322
C    3.1259940388   0.2426493322   0.8857786861
C   -2.2006838915   2.3929780013  -1.0376180134
C    3.3441901324  -0.0404802880  -0.4511842341
C   -0.5594443063   3.3075917566  -1.9135824636
H   -0.8270125041  -2.3690112034   0.4838916746
H   -1.6876247311  -1.6648750752   3.2684963794
H   -0.0711598498  -2.0882310718   2.6763233233
H   -3.2843701830  -2.4469874759   0.0460251009
H   -3.5865868495  -1.8484325651   1.6732668633
H   -0.4303558184   2.3689922121   1.7286308216
H   -2.1057516334   1.8395430201   1.5744839930
H   -2.4073596073  -3.8791109555   2.6030738355
H   -2.1353693033  -4.4507550328   0.9729566434
H    1.6642654394   0.5423371766   2.3874905244
H   -4.1156204611  -5.5688741087   1.9750413235
H   -4.8862829646  -4.0121581411   2.2568435602
H   -4.6269378713  -4.5813966099   0.6109116996
H    2.4615568161  -0.4342826982  -2.3650583281
H    3.9506584747   0.3932125203   1.5679143027
H   -3.1702659241   1.9845207498  -0.8013598161
H    0.0628565044   3.8260751131  -2.6260348851
*