! 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  -3.9799707117   0.1511910492  -0.8953302372
O    1.2028081125   0.2908994275   1.8212932320
O    1.7523145127  -0.8075978933  -2.7574626794
O    3.0124818007   0.8403925752  -1.9464826895
C    3.2125373068  -0.4044901001   0.6212877789
C    2.4296453651   0.7338822981   1.2535120763
C    2.5737040566  -1.0918593579  -0.5763870127
C    0.0457306634   0.3028578294   1.1302076475
C   -1.0133631442  -0.3952755864   1.7343085703
C   -0.1543945457   0.9566264235  -0.0804788567
C   -2.2433983452  -0.4251191856   1.0958176031
C   -0.8094915800  -1.0941300495   3.0438526115
C   -1.3919131657   0.9125793638  -0.7097486005
C    2.4794203144  -0.2333292712  -1.8052044333
C   -2.4291039389   0.2201190863  -0.1189188506
H    3.3996374980  -1.1613576339   1.3860733746
H    4.1919870293  -0.0083593381   0.3433956253
H    2.2832566905   1.5656452793   0.5631904894
H    3.0060834643   1.1284480055   2.0909925519
H    1.5866418497  -1.4953337896  -0.3389040957
H    3.1747899160  -1.9659217613  -0.8482259955
H    0.6317232197   1.5234771319  -0.5587957346
H   -3.0631932422  -0.9643326588   1.5536114260
H   -1.7210622669  -1.5990173348   3.3601987437
H   -0.0190207072  -1.8444783345   2.9844821924
H   -0.5272523686  -0.3972527362   3.8353664542
H   -1.5283549916   1.4237434849  -1.6530037393
H    1.7297858993  -0.2428706297  -3.5446623962
*