! 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   0.3299396313  -1.1280047116   2.4005191933
Cl   0.9697733130  -5.3554638288  -0.7758897418
O   -0.6889570148   1.0041133100   0.6349359768
O    0.0743749117   1.1760580910  -1.4682950198
N    1.5779518027   2.6653443528   0.4338876491
N    1.9463739827   3.4725591076  -0.5644091106
N    1.0812859638   4.6608124005   1.1253569693
C    0.3564864603   0.6348636265  -0.2095295789
C   -1.7996326381   1.4309188573  -0.1469458158
C   -1.1085381868   1.9556223720  -1.3970124676
C   -2.7879075201   0.3018863540  -0.4069633780
C    1.6676891545   1.2340062885   0.3240094497
C    0.4978870333  -0.8809169727  -0.3236552769
C   -4.1214139979   0.7908226684  -0.9705482896
C    0.4976475593  -1.7285831319   0.7832745906
C    0.6653383025  -1.4691435397  -1.5739836111
C   -4.9548709376   1.5966797333   0.0169768549
C    0.6404792872  -3.1021650823   0.6537666849
C    0.8114144771  -2.8368178468  -1.7320756041
C    1.0558035318   3.3862939877   1.4303699055
C    0.7938604647  -3.6446299531  -0.6094701146
C    1.6346337950   4.6569872028  -0.1045898964
H   -2.2791504595   2.2379311579   0.4101653448
H   -1.6858562621   1.8029336406  -2.3103317916
H   -0.8673024656   3.0201846566  -1.3204981712
H   -2.9652982261  -0.2323800939   0.5310136571
H   -2.3460049912  -0.4220746112  -1.0989072612
H    2.4873207261   0.9924189645  -0.3508719160
H    1.9116978546   0.8225496579   1.3020509773
H   -4.6968457335  -0.0807146010  -1.2905971437
H   -3.9539770757   1.3811109529  -1.8770842245
H    0.6803490426  -0.8483780382  -2.4581509230
H   -4.4714540688   2.5290218577   0.3131005047
H   -5.9203584349   1.8638705538  -0.4148575487
H   -5.1500943406   1.0256333582   0.9269394725
H    0.6302870983  -3.7357286518   1.5297602269
H    0.9349506225  -3.2582475124  -2.7199023727
H    0.6885050397   2.9480698893   2.3448709360
H    1.8187131673   5.5546492974  -0.6744599794
*
