! 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   0.6635760088   0.4212783139  -2.2160364299
Cl  -5.3823921190   0.1780567911   0.0986580232
O    0.7428487854  -0.0999028852   2.3140287150
N    1.3919465928  -3.3079849885  -0.8789858329
N    3.2106230786  -2.7023844425   0.4930120476
C    0.5938463052  -0.0449766498   0.9115143648
C   -0.9011969612   0.0208852815   0.6180585699
C    1.3842522993   1.1353820853   0.3267992463
C    1.2719527469  -1.3181568185   0.4196661427
C   -1.7062577477  -1.0472368219   1.0145877102
C   -1.5184097200   1.1543030807   0.1047266062
C    1.4929371657   1.3922067378  -1.0423178076
C    2.0953864166   1.9760656207   1.1804463068
C    0.7370242546  -2.2225501488  -0.4837358301
C    2.5478741323  -1.6233410461   0.8807234817
C   -3.0801207727  -1.0110946800   0.8527985852
C   -2.8958722531   1.2128730871  -0.0537450252
C    2.2605510091   2.4369809197  -1.5345972635
C    2.8670808108   3.0244357774   0.7028173946
C   -3.6656041520   0.1230499052   0.3109027507
C    2.9518414690   3.2575310834  -0.6591126140
C    2.5974279535  -3.4944719203  -0.3728378044
H   -1.2671881597  -1.9313103161   1.4602758694
H   -0.9402101141   2.0249063377  -0.1739678982
H    2.0621764680   1.8053128322   2.2468120494
H    0.2006448651   0.5890529153   2.7177499010
H   -0.2495996698  -2.0822470916  -0.9076337901
H    3.0601529435  -0.9737959558   1.5820617978
H   -3.6838523005  -1.8565737872   1.1536098952
H   -3.3546157641   2.1046193509  -0.4589828324
H    2.3183634572   2.6056215927  -2.6015355809
H    3.4048965232   3.6521912652   1.4007003312
H    3.5524164649   4.0695536427  -1.0466853184
H    3.1344921760  -4.3791944400  -0.6941617785
*