! 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  -0.1193309367  -1.2066370682   2.0469756752
Cl   0.7859790696  -5.2859672992  -1.2565862557
O   -0.7370285294   1.0568732182   0.2542312745
O    0.4113136418   1.3419716455  -1.6387666241
N    1.5420545877   2.6017233634   0.6757397397
N    1.1284787025   3.0041381280   1.8784132519
N    1.4422945324   4.7636809485   0.5304940358
C    0.4359432918   0.6940348085  -0.4024066774
C   -1.6789855763   1.5763063747  -0.6818421858
C   -0.9478293206   1.4443449544  -2.0157547410
C   -3.0025364274   0.8351683377  -0.6602609075
C    1.6633842403   1.2042370975   0.3586362822
C    0.5265742206  -0.8222515104  -0.5830982106
C   -3.9122339111   1.1450750110   0.5235628045
C    0.2764008066  -1.7291983459   0.4459953590
C    0.8947935482  -1.3489677075  -1.8175336197
C   -3.3900700319   0.6978237950   1.8808948666
C    0.3545522033  -3.0996998528   0.2478981655
C    0.9801567708  -2.7122997275  -2.0439159352
C    1.7180221613   3.6599844642  -0.1205206949
C    0.6992765985  -3.5790732409  -1.0033315387
C    1.0868665557   4.3037705894   1.7468679116
H   -1.8443329900   2.6332307329  -0.4405540823
H   -1.2723486887   0.5546015969  -2.5702303381
H   -1.0699399974   2.3145844597  -2.6597873898
H   -2.8116324010  -0.2410992970  -0.7250078778
H   -3.5330083541   1.1067711160  -1.5795430709
H    2.5538681775   1.0434817490  -0.2497610833
H    1.8000180751   0.6654746263   1.2931343030
H   -4.8770347426   0.6646165100   0.3400897274
H   -4.1152131383   2.2205360617   0.5439845458
H    1.1199995048  -0.6793244071  -2.6358391485
H   -3.1641446358  -0.3693468727   1.8861068674
H   -2.4803538320   1.2235545586   2.1688827801
H   -4.1366731163   0.8806253545   2.6561847454
H    0.1485077477  -3.7798368603   1.0625878451
H    1.2604824120  -3.0847060209  -3.0191340917
H    2.0598736741   3.5824424643  -1.1397020244
H    0.7909942222   4.9482481495   2.5598343332
*