! 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   1.5395151310   2.1720902668   1.2220551173
Cl   5.6482937210  -0.8981613816  -0.2249933864
O   -0.9948007651  -1.0394873862  -0.6833878097
O   -0.7860254056   0.3779159670   1.0450521113
N   -2.0258370611   1.6084598120  -1.1406316490
N   -2.9704613694   0.9966936432  -1.8593637147
N   -3.8892564144   2.4973811144  -0.4730271427
C   -0.3167365306   0.0919426635  -0.2427817341
C   -1.6286227699  -1.6847727583   0.4194880637
C   -1.8357796954  -0.5170618029   1.3726689435
C   -2.8771909979  -2.3786228082  -0.0895333325
C   -0.6385700876   1.2354601385  -1.2181566477
C    1.1906552695  -0.1400442788  -0.2020660027
C   -3.5815877192  -3.2718178726   0.9279503699
C    2.0812627980   0.7341642635   0.4198712152
C    1.7323718241  -1.2525190705  -0.8373044440
C   -4.2197437559  -2.5509324739   2.1069059166
C    3.4496959157   0.5104696578   0.4177380319
C    3.0942077978  -1.5043298221  -0.8508200005
C   -2.5880376933   2.4929126057  -0.3122699574
C    3.9437698430  -0.6143541956  -0.2192094079
C   -4.0682543869   1.5659712912  -1.4318397726
H   -0.9427076761  -2.4208340652   0.8609511511
H   -2.8126915521  -0.0397998958   1.2313147129
H   -1.7368020015  -0.7956219814   2.4216322829
H   -2.5865513490  -2.9993463762  -0.9420959305
H   -3.5715224057  -1.6258062997  -0.4765114344
H   -0.4127414760   0.9269232112  -2.2386559615
H   -0.0361610350   2.1162117636  -1.0016500196
H   -2.8829041457  -4.0294623859   1.2953680652
H   -4.3604059837  -3.8208985940   0.3939646139
H    1.0786191426  -1.9509071797  -1.3401982881
H   -3.4835897523  -2.1208932998   2.7868271276
H   -4.8800373463  -1.7461495302   1.7770943618
H   -4.8240054732  -3.2419829255   2.6970682118
H    4.1164488487   1.2058170615   0.9084644678
H    3.4780288921  -2.3819865901  -1.3515890172
H   -2.0177481401   3.1046968501   0.3690637218
H   -5.0367288662   1.2999882287  -1.8263814216
*