! 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   0.6866737233  -0.1140871784   2.1500761869
Cl   4.2023095733  -2.2121057308  -1.2365267205
O   -2.0941341719  -0.1613312476  -1.3954531214
O   -1.8616631707   0.0288173675   0.8018757231
N   -0.2966491684   2.4849497461   0.3629934854
N    1.0104565936   2.6367011623   0.1383809087
N    0.4585457146   3.4616716441   2.1450650268
C   -1.2339485833   0.3177892890  -0.4007322760
C   -2.8614879529  -1.2409399389  -0.8571201145
C   -2.4570212397  -1.2432633541   0.6241588580
C   -1.1565834845   1.8355573902  -0.5887699207
C    0.1399461617  -0.3472590219  -0.5330770333
C   -4.3362643724  -0.9834557204  -1.1073253724
C   -5.1984153881  -2.1814421792  -0.7406091397
C    1.0347661305  -0.5569516199   0.5145712567
C    0.5574477564  -0.7279908889  -1.8069492179
C    2.2797044978  -1.1352305027   0.3041423996
C    1.7953261551  -1.2967120425  -2.0462170696
C   -0.6106610829   2.9764326786   1.5649218439
C    2.6496166109  -1.4987797348  -0.9767899183
C    1.4214114471   3.2244302229   1.2320248040
H   -2.5598347133  -2.1754478362  -1.3421609935
H   -3.3008961623  -1.3261070841   1.3093118221
H   -1.7509374329  -2.0485545568   0.8524344491
H   -2.1600325028   2.2511425744  -0.4917318268
H   -0.7917543694   2.0642942193  -1.5891321961
H   -4.4777957312  -0.7470633776  -2.1651087273
H   -4.6520205959  -0.1020714251  -0.5406504047
H   -5.1180150613  -2.4401398572   0.3169829307
H   -6.2501077467  -1.9777475590  -0.9422548153
H   -4.9194530420  -3.0651498185  -1.3174714793
H   -0.1043519437  -0.5778474788  -2.6486753979
H    2.9513906957  -1.2924108848   1.1365376948
H    2.0807729503  -1.5770535708  -3.0505080722
H   -1.6140066379   2.9655515069   1.9606802991
H    2.4550100397   3.4991941237   1.3751484640
*