! 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   1.2985015123  -2.2868934846  -1.3875760929
Cl   5.4463123276   0.6251323137   0.3582487408
O   -1.9874451028   2.1160021641   1.2095568973
N   -2.6584883804  -0.7017303231   0.6263755393
N   -3.6885622900  -0.0586100285   1.1929366320
N   -4.3444879882  -2.0573006574   0.4467010088
C   -1.6886254793   1.7341550769  -1.2213164905
C   -1.3074481651   1.3599447373   0.2367962203
C   -1.3903711985   3.2267303865  -1.3935726382
C   -3.1574921240   1.4915983785  -1.5689128396
C   -0.8002316770   0.9427835143  -2.1815744790
C   -1.3695926639  -0.1206346264   0.5535243380
C   -0.3219423132  -0.9232622639   0.7374528865
C    1.0881855880  -0.5176602158   0.6399171836
C   -3.0734373925  -1.8970267821   0.1813640457
C    1.9356615403  -1.1074521553  -0.2954717685
C    1.6406719160   0.4277529284   1.5016195754
C   -4.6750772204  -0.9068581647   1.0647412542
C    3.2742683299  -0.7678014997  -0.3956223330
C    2.9744068350   0.7898015661   1.4245178469
C    3.7791660634   0.1866391681   0.4718374230
H   -0.2563353312   1.6409568920   0.3315473662
H   -2.0270503540   3.8481158646  -0.7630651450
H   -0.3513806203   3.4615891034  -1.1504987328
H   -1.5587323110   3.5311492240  -2.4282977701
H   -3.4241683185   0.4345358367  -1.5970477033
H   -3.3653574646   1.8873196924  -2.5656156082
H   -3.8373469105   1.9976680959  -0.8816291780
H   -0.9914304365  -0.1309240555  -2.1408992553
H    0.2616889746   1.0990947568  -1.9747882095
H   -0.9780361400   1.2616450684  -3.2107218561
H   -0.4954444619  -1.9699849895   0.9687808699
H   -2.8709775113   1.7375260543   1.3333216506
H   -2.4302836014  -2.5888724860  -0.3392613737
H    1.0136692363   0.8846218598   2.2565288632
H   -5.6663463742  -0.6880847619   1.4292962849
H    3.9068166609  -1.2358274868  -1.1370270954
H    3.3771285685   1.5281365863   2.1038342864
*