! 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   4.9848831030   3.9812670712  -1.2669568405
O   -1.7285620060  -0.8386146872   1.6495138403
N   -1.6406116117  -3.0344261677   0.0687881955
N   -0.7848154312  -3.3999535653   1.0283222740
N   -2.3125066735  -4.9972524919   0.7059498116
C   -1.7393725809  -0.5095817949   0.2812207993
C   -3.1512744093   0.1003867315   0.0045791892
C   -0.6160909976   0.4974784988  -0.0422742536
C   -1.4761822215  -1.7719183427  -0.6091725749
C   -4.2419364205  -0.9682509691   0.1376381751
C   -3.4696472426   1.2082295548   1.0170186404
C   -3.2265885495   0.7018839897  -1.4014729083
C    0.7334210569   0.1404400097   0.5888528958
C    1.8107023853   1.0855683218   0.1379183440
C   -2.5437675691  -3.9979299625  -0.1130818105
C    2.6151368975   0.7884417783  -0.9584317006
C    2.0061325588   2.3031176215   0.7851507605
C   -1.2283598146  -4.5804149032   1.3836943204
C    3.5916113830   1.6702337803  -1.3979956684
C    2.9751716718   3.1993986071   0.3606381610
C    3.7634171210   2.8725621008  -0.7313851212
H   -0.8932462928   1.4975376866   0.2976036538
H   -0.4964510259   0.5683293802  -1.1271141278
H   -2.1258133828  -1.7838018498  -1.4816057659
H   -0.4570470774  -1.7575295423  -0.9964905814
H   -5.2262724577  -0.4992370116   0.0823877764
H   -4.1881033905  -1.4965493865   1.0900149929
H   -4.2130916788  -1.7047462729  -0.6667633711
H   -3.5433102132   0.8290288003   2.0364758762
H   -4.4330656375   1.6596827430   0.7705739983
H   -2.7346393285   2.0146399702   1.0115500174
H   -4.2435318433   1.0448899786  -1.6023498060
H   -2.5704968357   1.5645299591  -1.5228700823
H   -2.9785578594  -0.0152030099  -2.1871231581
H    1.0259705876  -0.8830149579   0.3363644629
H    0.6520012253   0.1827932139   1.6764862887
H   -1.0088796609  -1.4540588029   1.8407256818
H   -3.3340911438  -3.9362743730  -0.8442368412
H    2.4870537562  -0.1516031786  -1.4821421769
H    1.3969489844   2.5607499126   1.6435582516
H   -0.7504998804  -5.1602559842   2.1579056094
H    4.2113488577   1.4175679679  -2.2478815211
H    3.1143003943   4.1378684591   0.8804216204
*