! 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   5.1898225413   2.9046332060  -1.2446616754
O   -2.4776410020   0.6431583353   1.9379053319
N   -1.5295091352  -2.6014875013   0.4471234187
N   -0.3334404958  -2.5669922687  -0.1421287403
N   -1.4274002301  -4.4303846745  -0.7196762988
C   -2.1493961889  -0.1347559559   0.7975526765
C   -3.2799484633   0.0065282339  -0.2849543215
C   -0.8189754394   0.4402159229   0.2966077761
C   -1.9800924900  -1.5713953027   1.3543095174
C   -4.6238582461  -0.5046308649   0.2544253472
C   -3.4648083913   1.4865261209  -0.6529733069
C   -2.9787161495  -0.7522429095  -1.5838978982
C    0.3445933662   0.3854031845   1.2911528258
C    1.5701964258   1.0113772079   0.6900999426
C   -2.1671425915  -3.7220703283   0.0993677027
C    2.3889456797   0.2782426079  -0.1663905626
C    1.8935852573   2.3434957462   0.9291738116
C   -0.3170730369  -3.6771051125  -0.8357843959
C    3.5017909863   0.8493007008  -0.7645206851
C    3.0025165656   2.9341485207   0.3400878705
C    3.7990944045   2.1783031354  -0.5042863798
H   -0.9789201047   1.4865637974   0.0273954038
H   -0.5170672899  -0.0698950416  -0.6169919064
H   -1.2855883115  -1.5326656177   2.1937074804
H   -2.9267959318  -1.9223530479   1.7655844630
H   -4.6102363494  -1.5636019030   0.5168765603
H   -5.3939946934  -0.3866321103  -0.5097934652
H   -4.9790441818   0.0515726853   1.1256473609
H   -2.6329726816   1.8771176630  -1.2411246922
H   -3.5836471435   2.1236395731   0.2243480283
H   -4.3622689360   1.6033718269  -1.2637574869
H   -3.0403180913  -1.8339478894  -1.4792743497
H   -3.7178878559  -0.4772416248  -2.3391099045
H   -2.0013914252  -0.5101273995  -1.9996654832
H    0.5744172568  -0.6476533202   1.5547795757
H    0.0804081085   0.9033089330   2.2145993861
H   -3.3272440089   0.3607842198   2.2916911575
H   -3.1528370753  -3.9749202287   0.4592818773
H    2.1533487404  -0.7600405822  -0.3712830323
H    1.2729070525   2.9371001194   1.5900991061
H    0.5303931226  -3.9560876049  -1.4433992759
H    4.1286565531   0.2630989443  -1.4233733358
H    3.2396566157   3.9703617394   0.5414058692
*