! 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  -0.1951089651  -0.2786597788  -2.0159053764
Cl   4.9797730506  -0.0472546420  -0.8266512632
O   -1.6633764310  -0.5347730141   0.4587070764
O   -0.7809659668  -0.1246782173   2.4493224859
N   -1.1793883009   2.3381139418  -0.2169154091
N   -2.2072920503   2.2561968597  -1.0641628748
N   -0.5110734799   3.3840262424  -1.9957456318
C   -0.7505012563   0.2774977520   1.1082008104
C   -1.5347605705  -1.8290274346   1.0343432926
C   -1.0935865136  -1.5114283296   2.4728525323
C   -2.8480286344  -2.5719924127   0.9215845298
C   -1.2260745492   1.7338768093   1.0875404911
C    0.6739228757   0.1437443529   0.5558291778
C   -2.7533650519  -3.9963613582   1.4573507707
C    0.9999960335  -0.0799945340  -0.7815516759
C    1.7350004164   0.3166047102   1.4436428536
C   -4.0747317524  -4.7413191819   1.3490935823
C    2.3201474163  -0.1450376779  -1.2095266294
C    3.0580689638   0.2644553895   1.0426383694
C   -0.1746054314   3.0121474486  -0.7852823632
C    3.3385328722   0.0287419776  -0.2915617719
C   -1.7627531241   2.8970176839  -2.1139262049
H   -0.7492611946  -2.3904556415   0.5112973201
H   -1.8923043331  -1.6694172719   3.2017451286
H   -0.2266018541  -2.1026461353   2.7765850370
H   -3.1513219325  -2.6013125499  -0.1290623681
H   -3.6224052268  -2.0190068319   1.4633358271
H   -0.6027966460   2.3207697596   1.7617701263
H   -2.2529332778   1.7807275282   1.4495562251
H   -2.4322299574  -3.9849303072   2.5037761739
H   -1.9797255626  -4.5412395380   0.9084513357
H    1.5290065570   0.4989543266   2.4893320971
H   -4.4063529374  -4.8141251797   0.3113571214
H   -3.9919114116  -5.7567474087   1.7391122490
H   -4.8631980542  -4.2371732768   1.9114167134
H    2.5423537365  -0.3254958401  -2.2522707697
H    3.8503241125   0.4048069070   1.7647771075
H    0.7594151879   3.2122626691  -0.2815511369
H   -2.3653305497   3.0221485157  -3.0007653147
*