! 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  -5.3445367773  -0.8439335522   1.0379414241
O    2.9972383598   1.6214791598   0.5435979304
O    2.6548673285  -2.1509537076  -1.7150810849
N    2.6136504514  -0.4674019262  -0.1993626868
N    0.6687476212  -1.6953302610  -0.7395746177
N   -1.3982326309  -2.1233985537  -1.3658714272
C    1.9572612747   0.6762488668   0.5170245171
C    4.0812023954  -0.2489549559  -0.2671823322
C    4.2014551925   0.9159669392   0.7122402843
C    0.7967541358   1.2881805226  -0.2617223111
C    1.5618854782   0.3080940543   1.9500797835
C    4.8839558083  -1.4456653632   0.2183801447
C    4.5309847438   0.2062012699  -1.6552963045
C    0.3332693186   2.6326777599   0.2926060848
C    2.0614768757  -1.4515872737  -0.9197479337
C   -0.9905677494   3.0844500821  -0.3347671732
C   -2.1213423586   2.1457100869  -0.0172794557
C   -0.0138344733  -2.0627702295   0.3962190762
C   -0.2148809682  -1.7736566860  -1.7729294355
C   -2.6262350604   1.2696349594  -0.9720872525
C   -2.6490097190   2.0853895653   1.2717208132
C   -1.2854954293  -2.3143390788  -0.0158322987
C   -3.6181325661   0.3508102776  -0.6606836156
C   -3.6422973532   1.1781837243   1.6030804074
C   -4.1158431574   0.3121410865   0.6289795237
H    4.3285824023   0.5673337936   1.7452160106
H    5.0362493948   1.5749751039   0.4741195669
H   -0.0451899066   0.5975605786  -0.2401507899
H    1.0875796967   1.4088472800  -1.3096607178
H    0.5668338545  -0.1277183637   1.9984047199
H    1.5468461695   1.2059048364   2.5679016060
H    2.2590757716  -0.3944416015   2.4061597591
H    4.9030936901  -2.2579100680  -0.5049677808
H    4.4931808890  -1.8317680399   1.1610397659
H    5.9167669578  -1.1374718911   0.3917892704
H    3.9920251211   1.0994401194  -1.9750409591
H    5.5935042185   0.4535791274  -1.6267311410
H    4.3934963017  -0.5648086938  -2.4090118900
H    0.2011216235   2.5797975676   1.3765084611
H    1.0882156645   3.3993760401   0.1100322348
H   -0.8742302306   3.1719045254  -1.4180634205
H   -1.2250497820   4.0862133367   0.0337266029
H    0.4616823097  -2.1653195412   1.3552072486
H    0.0690287381  -1.5391848938  -2.7872668066
H   -2.2329526407   1.2895738652  -1.9813245959
H   -2.2808377545   2.7571442602   2.0386641293
H   -2.1206583373  -2.6315873816   0.5884646170
H   -3.9812043998  -0.3330747547  -1.4149741870
H   -4.0393002676   1.1473904854   2.6090412581
*