! 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  -4.4533106862  -2.3050969422   1.0607132980
Cl  -1.1922174769   1.4808067359   1.0090563888
O    2.9543203754   1.7496243212   0.3272271709
N    1.3471761419   0.3441777400  -0.4422390067
N   -1.1816730140   3.8805894772   0.0642035533
C    1.3639301147  -2.0621098103  -0.3512087533
C    2.0689242402  -0.8612869433  -0.5073689102
C   -0.0806329830  -2.0815004549  -0.0152726515
C    2.0367835778  -3.2693856145  -0.5110563932
C    3.4332765781  -0.8951228204  -0.7936787689
C   -0.5105134474  -1.7764846255   1.2737202778
C   -1.0271665646  -2.4488298570  -0.9678614698
C    3.3936088222  -3.3031944460  -0.7888920633
C    4.0866741709  -2.1101214535  -0.9235696848
C    1.8191320354   1.5511082050  -0.0628114142
C    0.8892568248   2.7167984300  -0.2272098572
C   -1.8522825212  -1.8473201156   1.6129659693
C   -2.3747127110  -2.5161475450  -0.6461192385
C   -2.7740621026  -2.2153617087   0.6456548116
C    1.4285721192   3.8614542818  -0.8083922503
C   -0.4337270987   2.8139461720   0.1991014551
C    0.6481735297   4.9905501763  -0.9728740777
C   -0.6586701435   4.9504121505  -0.5209225867
H    1.4861704664  -4.1945612011  -0.3950582453
H    3.9902607302   0.0171604096  -0.9382033236
H    0.3781784728   0.2874563531  -0.7197103503
H    0.2091900664  -1.4928327496   2.0310110965
H   -0.7143475076  -2.6869273408  -1.9766855871
H    3.9025276696  -4.2516038414  -0.8983899600
H    5.1457975568  -2.1169062548  -1.1456544926
H   -2.1701475000  -1.6186861026   2.6212241172
H   -3.0986975818  -2.8018727337  -1.3970889851
H    2.4581738896   3.8600632498  -1.1406004980
H    1.0454181642   5.8834270630  -1.4337939846
H   -1.3103433390   5.8092771563  -0.6234477448
*