! 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  -2.5318557528  -2.6533103585   0.1465206755
Cl  -4.3925254208   2.3785855667  -0.6113875949
O   -0.0854121765  -1.2777056598   0.9398218592
O    2.2400980090  -1.1745936061  -1.7160897954
N    2.3677229150  -0.2568251279   0.3689269793
C    0.6579382089  -1.9150219549  -0.0990044373
C   -1.0771296133  -0.4361312162   0.5452742111
C    1.8292461876  -1.0564067440  -0.5763339926
C    1.1735647877  -3.2362867295   0.4378960628
C   -3.3763423349  -0.1185232753  -0.2376736177
C   -2.3117241563  -0.9390323299   0.1409085366
C   -0.8949917953   0.9365785710   0.5867093425
C    3.4640435069   0.6095806614   0.2823079640
C   -3.1431435004   1.2559968220  -0.1781787183
C   -1.9294566282   1.7822653556   0.2333015820
C   -4.6755589434  -0.7209899433  -0.6700390303
C    4.2525615887   0.7719475552  -0.8568346301
C    3.7642918411   1.3484232735   1.4292106354
C    5.3163760465   1.6643042885  -0.8296393616
C    4.8283992398   2.2324653267   1.4406388877
C    5.6139745623   2.3985148201   0.3077193028
H    0.0267399994  -2.0912583971  -0.9746185339
H    1.7563913666  -3.7514046516  -0.3246629500
H    0.3400063203  -3.8799971401   0.7163615522
H    1.8085169062  -3.0933367470   1.3130633868
H    1.9262665483  -0.2883540369   1.2768116545
H    0.0496471135   1.3526479886   0.9099956081
H   -1.7845358609   2.8526573802   0.2738431727
H   -5.3999293860   0.0326157280  -0.9635279318
H   -5.1205858235  -1.3108338357   0.1322242423
H   -4.5311890892  -1.3880857371  -1.5205594350
H    4.0528117702   0.2175928739  -1.7587512756
H    3.1590418023   1.2286416807   2.3207681710
H    5.9204004471   1.7796427760  -1.7204789072
H    5.0416028527   2.7933883943   2.3412222394
H    6.4469492704   3.0888409537   0.3136878599
*