! 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   0.8580627276  -0.7146214310  -2.2255107856
Cl   5.6955859835  -0.5547670042   0.0015851761
O   -1.0050984039  -0.6554738336   0.0277107116
O   -0.6013948680   0.5959451099   1.8323661675
N   -2.0313465916   1.9234081703  -0.3243455848
N   -2.7036617487   2.5271178498   0.6578104173
N   -4.1071918087   1.8409436626  -0.9476532689
C   -0.2543731624   0.4235425162   0.4959571245
C   -1.5527177162  -1.3814545591   1.1283923013
C   -0.9251646037  -0.6878005474   2.3353186558
C   -3.0698530075  -1.3151011312   1.1143658392
C   -0.6129797835   1.7060326983  -0.2643096219
C    1.2437145412   0.1548459502   0.3420237311
C   -3.7227712581  -1.8818825491  -0.1421236566
C    1.8119707474  -0.3546323690  -0.8248735354
C    2.1081646621   0.4620274896   1.3883130392
C   -3.5463983841  -3.3851669548  -0.3029667096
C    3.1764645137  -0.5760760384  -0.9374244325
C    3.4740625332   0.2509603242   1.3040618860
C   -2.8802335014   1.5124989675  -1.2695464160
C    3.9960328979  -0.2751555647   0.1360915118
C   -3.9419506994   2.4582494051   0.2399034158
H   -1.2143472423  -2.4191976524   1.0626619940
H   -1.6101420763  -0.5697553665   3.1748692714
H   -0.0318754091  -1.2146607247   2.6882556897
H   -3.3821477339  -0.2767357953   1.2623903331
H   -3.4307428872  -1.8684208319   1.9880549587
H   -0.2343854062   1.6612196560  -1.2837427023
H   -0.1428559564   2.5615184797   0.2193426461
H   -3.3347904881  -1.3696568227  -1.0250639292
H   -4.7897299989  -1.6486373048  -0.1077720163
H    1.7089148643   0.8797911113   2.3021898483
H   -2.5011708783  -3.6685853546  -0.4371463562
H   -3.9236403654  -3.9253636340   0.5680112706
H   -4.0897441418  -3.7524170194  -1.1749371275
H    3.5898256121  -0.9768818929  -1.8525916419
H    4.1147473998   0.4970479771   2.1394533831
H   -2.5603155025   0.9973239432  -2.1615053528
H   -4.7587015244   2.8736254947   0.8098635927
*