! 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   5.2556304828   2.7075357675   0.2111251136
O   -2.5737618902  -0.8052366456   1.7836750688
N   -1.2367111626  -2.5930942857  -0.1708299747
N   -0.9426237893  -2.9778404207   1.0742405924
N    0.4419387048  -3.9547073304  -0.3779852519
C   -2.3220092682  -0.4297008220   0.4412931829
C   -3.5136805069   0.5117688191   0.0553534028
C   -0.9313027830   0.2506105128   0.4023321274
C   -2.3449763861  -1.6962327086  -0.4406145413
C   -3.6771749400   1.6175532794   1.1061769329
C   -3.3198495288   1.1900243318  -1.3029500641
C   -4.8320585270  -0.2747232094   0.0052936848
C   -0.1974240617   0.4223897759  -0.9350790896
C    1.1740777331   0.9901376182  -0.6935771972
C   -0.4057867444  -3.1887166564  -1.0261769706
C    1.3882754001   2.3655284947  -0.6966719922
C    2.2525930824   0.1580149209  -0.4041340356
C    0.0722611410  -3.7886941914   0.9034453407
C    2.6368445975   2.9029367940  -0.4208831648
C    3.5088617553   0.6749284693  -0.1261620212
C    3.6897339648   2.0488752359  -0.1354409427
H   -0.2716021284  -0.3305707917   1.0540332036
H   -1.0059874516   1.2272957663   0.8862330864
H   -3.2664103804  -2.2519115435  -0.2688502350
H   -2.3031414928  -1.4557946452  -1.5017974605
H   -3.9542799797   1.2279542162   2.0846460621
H   -4.4717041066   2.2984189548   0.7932785960
H   -2.7773402515   2.2228252548   1.2276834361
H   -3.0774157496   0.4919427651  -2.1064070729
H   -2.5475545307   1.9589738004  -1.2775708588
H   -4.2460264196   1.6904341573  -1.5933856745
H   -4.9970482797  -0.8664870600   0.9060956218
H   -5.6689822735   0.4209806392  -0.0835113952
H   -4.8954126420  -0.9421922822  -0.8562355027
H   -0.7417863297   1.0785646317  -1.6113040230
H   -0.0965661825  -0.5321970316  -1.4533601259
H   -1.9768313661  -1.5342510291   2.0111745441
H   -0.4542714272  -3.0412968922  -2.0939360622
H    0.5685331126   3.0380543764  -0.9203982033
H    2.1200710765  -0.9179427771  -0.3968932366
H    0.5596310005  -4.2745195643   1.7341513132
H    2.7830453496   3.9747216742  -0.4308761829
H    4.3345017049   0.0114078180   0.0934444266
*