! 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   3.8848235715   3.9131349368   0.4631895273
O   -0.7573986106  -0.3003892318   1.2202554419
N   -1.4117114100  -2.9293555345   0.2957392443
N   -1.3501682208  -3.6367208083  -0.8352653001
N    0.1709755035  -4.3773838549   0.6277125839
C   -1.6857290043  -0.4554552685   0.1663265997
C   -2.7754131576   0.6707090174   0.2416284838
C   -0.9959854643  -0.4701580724  -1.2239469629
C   -2.3285364792  -1.8223733576   0.4506379955
C   -3.7317546388   0.6087944277  -0.9533205342
C   -3.6020680160   0.5583079378   1.5278087898
C   -2.0965914334   2.0471116606   0.2508001939
C    0.5068817655  -0.7813146225  -1.2495486430
C    1.3733529920   0.3752237936  -0.8207998574
C   -0.4992977418  -3.3809107148   1.1584206291
C    1.3801235418   1.5600131905  -1.5567436035
C    2.1814450420   0.3084587299   0.3112884177
C   -0.3885102066  -4.4915339490  -0.5917582113
C    2.1478494546   2.6477532506  -1.1740205565
C    2.9588763683   1.3869828196   0.7117730093
C    2.9301607583   2.5532236440  -0.0333784373
H   -1.1349684407   0.4890636118  -1.7243898632
H   -1.5082809899  -1.1906690364  -1.8640378684
H   -2.7061561073  -1.8551987664   1.4715112181
H   -3.1649588362  -2.0102361382  -0.2184355062
H   -3.2357657367   0.8060199838  -1.9039271047
H   -4.5116294520   1.3644976878  -0.8410385824
H   -4.2386995676  -0.3539484353  -1.0388259355
H   -2.9724846659   0.4945366652   2.4159669318
H   -4.2730525085  -0.3021635613   1.5257289470
H   -4.2322668634   1.4422550064   1.6400839122
H   -1.5294383999   2.2287490895   1.1664136235
H   -1.4251307805   2.2038715539  -0.5958005320
H   -2.8534757225   2.8316517913   0.1997305169
H    0.7613860197  -1.0350846392  -2.2815262224
H    0.7536863123  -1.6611860827  -0.6565406656
H   -0.2480777571   0.5056392512   1.0920428316
H   -0.3656172233  -2.9679052117   2.1449772476
H    0.7759086300   1.6430647836  -2.4527899352
H    2.2092479523  -0.5999096851   0.9007749657
H   -0.0863377574  -5.2291240911  -1.3190856670
H    2.1338707737   3.5565890248  -1.7605464691
H    3.5742931130   1.3128128128   1.5983335195
*