! 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   1.6955579253   1.8557451631   1.9110231887
Cl   4.7064418099  -0.2388895482  -1.9497704860
O   -1.3927354624  -1.1073253473   0.4960180925
O   -0.5432523885  -0.0431390395   2.2808291538
N   -1.5577793848   1.3969632613  -0.9156299823
N   -2.6087067770   0.8429534174  -1.5234395830
N   -1.2560735344   1.8088695876  -3.0247142204
C   -0.6308461473  -0.0052527887   0.8896715854
C   -1.7619884046  -1.8720752882   1.6425973194
C   -0.7493054397  -1.3912837171   2.6683850213
C   -3.2053304943  -1.6133040132   2.0447612464
C   -1.3616515210   1.2920186224   0.5070623940
C    0.7427377776  -0.0793549051   0.2228913457
C   -4.2202625284  -1.7840525998   0.9184193325
C    1.8156478962   0.7261403631   0.6022781697
C    0.9443805864  -0.9334374051  -0.8576051181
C   -4.2643333143  -3.1855673208   0.3274088511
C    3.0364421507   0.6808511637  -0.0548965532
C    2.1506617291  -0.9989017999  -1.5335114398
C   -0.7578615509   1.9642180313  -1.8229726775
C    3.1909304376  -0.1851916286  -1.1222960250
C   -2.3859408813   1.1150669610  -2.7829741067
H   -1.6125961068  -2.9269704357   1.4012683986
H   -1.1156073442  -1.4067400608   3.6945981940
H    0.1832081829  -1.9646931647   2.6217568253
H   -3.2953356871  -0.6051322522   2.4626682837
H   -3.4442774106  -2.3025193017   2.8619112397
H   -0.8064290099   2.1657419405   0.8446489192
H   -2.3383374721   1.3127457052   0.9896539087
H   -4.0167194193  -1.0559390200   0.1283805218
H   -5.2085804965  -1.5319914757   1.3140207796
H    0.1380402149  -1.5703297677  -1.1913542590
H   -4.4390168790  -3.9404674434   1.0971639626
H   -5.0684358034  -3.2750766100  -0.4043651128
H   -3.3380501033  -3.4482131755  -0.1864350010
H    3.8510154035   1.3162744691   0.2641210872
H    2.2670948593  -1.6744222405  -2.3693254902
H    0.1536284969   2.4808327321  -1.5640871164
H   -3.0701904593   0.8082423803  -3.5588546006
*