! 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  -5.9130271577   2.5120975114  -2.2168593701
O    2.8677334509   1.4322858954   0.8781104716
O    2.0105065312  -2.1727057899  -1.5610489498
N    2.6244500446  -0.6074364113  -0.0400734488
N    1.4421627919  -2.5379006062   0.6043821425
N   -0.1297416492  -3.7132313781   1.5987384878
C    2.4708747456   0.1351627863   1.2501094064
C    3.3643555229   0.2162711261  -1.0277706223
C    3.8750177445   1.3122144888  -0.0956657244
C    1.0369694062   0.2351836937   1.7670441964
C    3.4033079116  -0.3901383091   2.3385395116
C    4.5281799181  -0.5237268699  -1.6697835605
C    2.4356143548   0.8163281134  -2.0815094172
C    0.0082961948   0.7281836596   0.7595642693
C    2.0518150842  -1.7526659953  -0.4242851294
C   -1.3875243416   0.7522383416   1.3650223037
C   -2.4905221216   1.2022680476   0.4407126391
C    2.0686838380  -3.2754170108   1.5792799028
C    0.1224407437  -2.8640771312   0.6459507628
C   -3.8019625250   1.2413171705   0.9168804427
C   -2.2697511254   1.5820683037  -0.8791745386
C    1.0771197018  -3.9860156235   2.1826012241
C   -4.8561993209   1.6408008041   0.1138415140
C   -3.3141543286   1.9858146996  -1.7020929486
C   -4.6015994648   2.0117587672  -1.1985671303
H    4.8411610297   1.0427474056   0.3495035709
H    3.9937823785   2.2695891781  -0.6028990765
H    1.0709690947   0.9254844448   2.6154414033
H    0.7293028326  -0.7212087528   2.1921326142
H    3.0350040738  -1.3100338832   2.7851405592
H    3.4692134540   0.3495603081   3.1373072793
H    4.4105632081  -0.5786586437   1.9666305707
H    4.2054426123  -1.2333772989  -2.4283137158
H    5.1207957333  -1.0579526803  -0.9257270812
H    5.1848103220   0.1997145590  -2.1566660422
H    1.6458980413   1.4151980608  -1.6265861281
H    3.0089638300   1.4726366016  -2.7381708159
H    1.9719502309   0.0539942660  -2.7036235839
H    0.2803751171   1.7294921826   0.4186750198
H    0.0033761653   0.0906236124  -0.1292482575
H   -1.3870556104   1.3990405608   2.2481693968
H   -1.6371747920  -0.2464550959   1.7388483365
H    3.1349998890  -3.2597557288   1.7255100084
H   -0.5982133923  -2.4343504011  -0.0330157264
H   -4.0082210778   0.9516289676   1.9406996616
H   -1.2722349241   1.5711988748  -1.2981342255
H    1.1717866843  -4.6857567156   2.9981061302
H   -5.8636492089   1.6614315325   0.5074235080
H   -3.1148608614   2.2746871367  -2.7253975476
*