! 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   0.0153115022  -1.1142079866   2.1278426070
Cl   0.6375360949  -5.2338081285  -1.1912096496
O   -0.6894589313   1.1521677220   0.3316050730
O    0.3733435988   1.3996149308  -1.6040681538
N    1.6333195276   2.6628750856   0.6304165592
N    1.2596810108   3.0989131568   1.8349901337
N    1.6057591435   4.8236425948   0.4511153666
C    0.4452276676   0.7570668833  -0.3666470509
C   -1.7366007684   1.4013881496  -0.6022406000
C   -0.9956743420   1.5343606075  -1.9423729129
C   -2.7827056159   0.2995351659  -0.6152044032
C    1.7093734973   1.2575354793   0.3370412775
C    0.5084824281  -0.7616683692  -0.5410833135
C   -3.5137157425   0.0934408641   0.7069876749
C    0.3073906609  -1.6564075951   0.5093210092
C    0.7842086290  -1.3035694289  -1.7924527924
C   -4.3824272228   1.2715113999   1.1253887925
C    0.3459281660  -3.0290952979   0.3194330600
C    0.8275881866  -2.6704375389  -2.0118956238
C    1.8270500185   3.7007841122  -0.1874815292
C    0.5992173132  -3.5239115467  -0.9479140785
C    1.2591768876   4.3970968130   1.6821812430
H   -2.1935445515   2.3525409263  -0.3179988229
H   -1.3014568248   0.7592945013  -2.6537714874
H   -1.1416878551   2.5063619841  -2.4136433353
H   -2.3131174180  -0.6387126457  -0.9269934637
H   -3.5086833962   0.5476599254  -1.3973490706
H    2.5690186386   1.0651873203  -0.3039579292
H    1.8764470971   0.7334947770   1.2737101498
H   -2.7903508461  -0.1328086477   1.4932935953
H   -4.1414656500  -0.7957078136   0.6130087957
H    0.9672187208  -0.6441481538  -2.6294680035
H   -5.1125144516   1.5210251272   0.3521670761
H   -4.9376730804   1.0437534077   2.0363581566
H   -3.7971017897   2.1704200381   1.3262262891
H    0.1803783493  -3.6991346869   1.1517657760
H    1.0355635253  -3.0556002129  -3.0003689228
H    2.1385543739   3.5945935421  -1.2141291493
H    1.0067674468   5.0647257494   2.4916353289
*