! 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   0.6829490016   0.5552981510   2.3902293856
Cl  -7.0922959137   2.0001207223   0.5408043188
O    3.9298902331   0.1943558313  -0.7306194349
O    3.2792862513   1.2888929283   1.1063754025
O   -2.2438039158  -0.4786384523  -1.6112659940
N    3.0748159302  -2.3205542904   0.6611858111
N    3.7791566476  -2.8722673107  -0.3280552798
N    1.9528276047  -4.0927595922   0.1084324688
C    3.0607365380   0.1297358701   0.3640274848
C    4.4354898449   1.5251934976  -0.8664201053
C    3.4471436432  -1.0637362890   1.2516265747
C    3.6203997982   2.2934051139   0.1692289104
C    1.6171932399   0.0188797999  -0.1261609573
C    5.9274221680   1.5428062054  -0.6105222955
C    0.5104999319   0.1859180065   0.7030728273
C    1.3578102001  -0.3271712211  -1.4504585036
C   -0.7901050346   0.0398860690   0.2444337408
C    0.0731448798  -0.4710143109  -1.9392549628
C   -1.0049925233  -0.2813357317  -1.0879380898
C    1.9845359783  -3.0534063810   0.9045769912
C    3.0726872941  -3.9324836055  -0.6245083879
C   -3.3423245379   0.1267114991  -1.0631598720
C   -4.4541153093  -0.6635305649  -0.8172559959
C   -3.3792131913   1.4940278735  -0.8228552471
C   -5.6161729173  -0.0857742521  -0.3296898445
C   -4.5353007199   2.0700640173  -0.3223926843
C   -5.6462242648   1.2764882729  -0.0793096489
H    4.2238478666   1.8794593284  -1.8785201342
H    2.9545044040  -0.9885000637   2.2189771800
H    4.5231908945  -1.0549509865   1.4226259368
H    4.1865763558   3.0713867455   0.6810850721
H    2.7250197206   2.7472927208  -0.2698698439
H    6.4453530289   0.8375529442  -1.2617068720
H    6.3311490571   2.5356236377  -0.8136791866
H    6.1621043945   1.2881072977   0.4249020741
H    2.1868218807  -0.4835925899  -2.1255666972
H   -1.6160024945   0.1675139856   0.9314295838
H   -0.0928169434  -0.7344064621  -2.9756905797
H    1.2619020415  -2.7993313123   1.6649478636
H    3.3785309099  -4.6225309078  -1.3956525490
H   -4.4186827800  -1.7273493179  -1.0132075932
H   -2.5189557341   2.1190278405  -1.0265503159
H   -6.4854120993  -0.7013866646  -0.1426063964
H   -4.5654024956   3.1343577860  -0.1331540577
*