! 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   5.3206832811   0.9584657810   1.1317064478
O   -1.6240407613   1.2810657919   1.1783035888
N   -0.2005434709  -1.8690244978   0.0437368540
N   -1.0301856459  -2.9091357744  -0.0710507066
N    0.8465246009  -3.2817300197  -1.2318414364
C   -1.5199404834   0.2703438740   0.1939628294
C   -2.8884526174  -0.3587779401  -0.1402518941
C   -1.0668934659   0.8435085606  -1.1763504194
C   -3.5294385857   0.6919010707  -1.0443841521
C   -2.3780338270   1.1447129758  -1.9474551412
C   -3.7395673855  -0.8868946745   1.0266419662
C   -0.5256992170  -0.7091064752   0.8386173019
C   -0.1529761213   2.0735165339  -1.1262423210
C   -4.5748214593   0.1694553812   1.7462114629
C   -4.6483943137  -2.0100015688   0.5320845979
C    1.2152794945   1.8264185001  -0.5562197924
C    0.9157591234  -2.1093796622  -0.6490635809
C    1.5452450292   2.1877562173   0.7474576590
C    2.1934070494   1.2034965768  -1.3294310143
C    2.8023024404   1.9263609661   1.2733970500
C    3.4554647907   0.9321803634  -0.8226039216
C   -0.3654604062  -3.7268854995  -0.8469928150
C    3.7480018013   1.2939418082   0.4830287984
H   -2.6671915237  -1.2179836626  -0.7826669740
H   -0.5319485872   0.0536072850  -1.7121146816
H   -3.9185614156   1.5348942630  -0.4650596703
H   -4.3750534470   0.2967266637  -1.6089246720
H   -2.3899114629   0.5969264849  -2.8908039607
H   -2.4594479382   2.2031736799  -2.2027042758
H   -3.0640765836  -1.3321099389   1.7658243049
H   -0.9200644137  -1.0587512581   1.7934853961
H    0.4109122994  -0.1963661651   1.0531563674
H   -0.6440088546   2.8838851673  -0.5830780035
H   -0.0413351561   2.4299330547  -2.1540979790
H   -2.2749614586   1.9337612949   0.9002431083
H   -5.3419738954   0.5940641973   1.0944295156
H   -5.0942330394  -0.2776917075   2.5964893819
H   -3.9758981047   0.9914355275   2.1367410082
H   -4.0640405210  -2.8339403482   0.1187575967
H   -5.3321170450  -1.6618047139  -0.2466542051
H   -5.2591173842  -2.4131586682   1.3427940739
H    1.7411882680  -1.4151618089  -0.6898417883
H    0.8080321571   2.6733341045   1.3736232851
H    1.9722274889   0.9223952827  -2.3527841991
H    3.0362535967   2.2132332909   2.2899348994
H    4.1985872595   0.4472354324  -1.4415205089
H   -0.7672110214  -4.6837112566  -1.1431715228
*