! 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   4.9042259380   4.3927957857  -0.7237144567
O   -1.3436757106  -1.2240093584   1.6060681002
N   -1.8601847154  -3.1159899846  -0.3275198264
N   -2.7735156956  -3.6727464813  -1.1279641639
N   -2.3248401084  -5.0286135244   0.5920690902
C   -1.4851916163  -0.6753743629   0.3134809340
C   -2.8936434299  -0.0014406370   0.1637156384
C   -0.3607264730   0.3459248457   0.0233149158
C   -1.2424762592  -1.8485121934  -0.6604448478
C   -3.1248906367   1.0010396238   1.3045060421
C   -3.0107878922   0.7523620290  -1.1640248774
C   -4.0291334321  -1.0263223302   0.2353737686
C    1.0260030524  -0.0348069794   0.5543133373
C    2.0201953801   1.0491864569   0.2450620861
C   -1.5951129188  -3.9417717492   0.6880884559
C    2.7121805923   1.0697577394  -0.9630720186
C    2.2386585114   2.0898541091   1.1439563615
C   -3.0289526122  -4.8101893011  -0.5349903930
C    3.5985559900   2.0914084667  -1.2703993821
C    3.1206139478   3.1207747953   0.8564643801
C    3.7950669990   3.1118825779  -0.3537478101
H   -0.6225425661   1.3190335925   0.4450886666
H   -0.2920773700   0.5052153150  -1.0565599265
H   -1.5829290609  -1.5901656570  -1.6604260872
H   -0.1699619976  -2.0293334400  -0.7377058879
H   -2.3437932222   1.7584490155   1.3880794645
H   -3.2286566363   0.5139029453   2.2765104702
H   -4.0598635170   1.5376037769   1.1328152769
H   -4.0244996142   1.1418915143  -1.2780959021
H   -2.8232831438   0.1136196462  -2.0295003523
H   -2.3349283507   1.6062130262  -1.2274301943
H   -4.0829772259  -1.6601407697  -0.6486974005
H   -3.9514510171  -1.6702767958   1.1126288457
H   -4.9856498786  -0.5028582852   0.3044999089
H    1.3691182912  -0.9754357294   0.1170557129
H    0.9877766786  -0.1907802956   1.6332464293
H   -1.3637038843  -0.5142331723   2.2569596384
H   -0.8712561607  -3.7253090620   1.4555208133
H    2.5648393546   0.2724684456  -1.6821645770
H    1.7156294122   2.0997226073   2.0929567356
H   -3.7450856906  -5.5119920708  -0.9340169284
H    4.1299396341   2.0865309964  -2.2126415398
H    3.2793221369   3.9172356850   1.5711378544
*