! 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   1.6380837387   2.1522121728   1.3072228968
Cl   5.5990263136  -0.9826868418  -0.3790165960
O   -1.0480478570  -0.9513074364  -0.5781949746
O   -0.7875362092   0.4598709020   1.1284180824
N   -2.0665779064   1.6285422201  -1.1265812827
N   -2.8579977029   1.1265873576  -2.0764733607
N   -4.0568979202   2.3145856292  -0.6064414200
C   -0.3359029282   0.1739538716  -0.1561593774
C   -1.6646604489  -1.5851699373   0.5459989902
C   -1.0998299611  -0.7884163431   1.7194943293
C   -3.1786509438  -1.5095380761   0.4192368132
C   -0.6578810131   1.3448603164  -1.0904866423
C    1.1685307214  -0.1025351729  -0.1782466745
C   -3.9203801230  -2.3797374558   1.4314124772
C    2.1046163812   0.7279062823   0.4376650458
C    1.6571531250  -1.2097701563  -0.8653386235
C   -3.7944245892  -3.8753805112   1.1747203345
C    3.4653061147   0.4651447155   0.3812598645
C    3.0096258341  -1.4976006511  -0.9362040112
C   -2.7946914416   2.3289051679  -0.2526539673
C    3.9050492926  -0.6516219939  -0.3069909068
C   -4.0397014172   1.5648677967  -1.7268249407
H   -1.3300717925  -2.6252707919   0.5802076940
H   -1.8151254544  -0.6214680157   2.5247009755
H   -0.2068807477  -1.2599754627   2.1440668555
H   -3.4647280008  -1.8099602643  -0.5926917158
H   -3.4939518392  -0.4683860722   0.5362178325
H   -0.3337034826   1.1060260788  -2.1018182501
H   -0.1243572658   2.2412501867  -0.7793782760
H   -4.9772775374  -2.1044931462   1.4063711045
H   -3.5824298186  -2.1507955986   2.4473171780
H    0.9635092900  -1.8727635625  -1.3626120845
H   -4.1469383579  -4.1337376348   0.1740620107
H   -2.7663009307  -4.2303479919   1.2620606938
H   -4.3904630967  -4.4459377814   1.8884098379
H    4.1685158637   1.1259279956   0.8690805326
H    3.3529374022  -2.3693645333  -1.4756186379
H   -2.3699142133   2.8321841717   0.6011240230
H   -4.9234812570   1.3424438791  -2.3046350409
*