! 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   0.8769311535  -0.1651561966   2.4089951957
Cl  -7.0130565442  -1.9379645343   0.7387717129
O    3.4515932745  -1.0851532642   1.1672721421
O    4.0220274570  -0.2325065390  -0.8309063602
O   -2.1555567931   0.3217690053  -1.6206084581
N    3.0693823891   2.4320576162   0.3435903094
N    3.5314186013   2.8359462581  -0.8403344336
N    1.7681026769   4.0719079297  -0.2250602072
C    3.1949625207  -0.0359620074   0.2830616224
C    4.0394965651  -2.1585689283   0.4401758498
C    3.5892533206   1.2672247769   1.0068943122
C    4.7965452974  -1.4056101848  -0.6435397919
C    1.7405919794   0.0075924622  -0.1810938822
C    3.0092024710  -3.1383236328  -0.0869707988
C    0.6572037244  -0.0342646830   0.6922743433
C    1.4465302748   0.1518831408  -1.5348636393
C   -0.6556882936   0.0536581473   0.2532028425
C    0.1490346287   0.2256898116  -2.0040490735
C   -0.9054010152   0.1776484723  -1.1054805904
C    2.0113698072   3.1694236051   0.6926204286
C    2.7249116945   3.8219652177  -1.1402488392
C   -3.2483876961  -0.2293483920  -1.0125915330
C   -4.3961725265   0.5471714293  -0.9560547295
C   -3.2545395815  -1.5335780927  -0.5354695800
C   -5.5612934651   0.0198447750  -0.4230711313
C   -4.4158564194  -2.0566545155   0.0103388146
C   -5.5615547926  -1.2779150781   0.0626933668
H    4.7204333499  -2.6700942986   1.1225882203
H    4.6757131221   1.3355058413   1.0669292982
H    3.2008172625   1.2669343172   2.0229411184
H    5.8127542424  -1.1501509439  -0.3271944820
H    4.8555197478  -1.9505890343  -1.5871569552
H    2.3839774007  -2.7079486956  -0.8706965530
H    2.3573951158  -3.4844875791   0.7158029462
H    3.5121741860  -4.0111386977  -0.5057116218
H    2.2546238640   0.1978869611  -2.2497749941
H   -1.4634595561   0.0362485803   0.9728510047
H   -0.0447662063   0.3287701750  -3.0636979914
H    1.4687969057   3.0207543767   1.6136352140
H    2.8321300994   4.3876395003  -2.0528285530
H   -4.3842533722   1.5604014596  -1.3365737075
H   -2.3684456143  -2.1531738401  -0.5884433479
H   -6.4570237451   0.6247645977  -0.3856917951
H   -4.4216909158  -3.0718124415   0.3830833191
*