! 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  -4.2346202931   2.4527410895  -3.1730171066
O    1.9463039749   1.4420747783   0.2946005318
O    1.4339725929  -2.6934596300  -1.2209153220
N    1.9823143937  -0.7772010187  -0.1295182151
N    1.3417081322  -2.7069689455   1.0454504233
N    1.8130201127  -3.8553113370   2.8639374172
C    1.6539256884   0.2235482974   0.9387586467
C    2.4882133534  -0.0898084383  -1.3400873180
C    2.9274679508   1.2126400455  -0.6853441656
C    0.1587037501   0.2234601109   1.2547675583
C    2.5263350263   0.0964431930   2.1827324977
C    3.6754570816  -0.8004511831  -1.9700020970
C    1.3843529780   0.1750122452  -2.3625331969
C   -0.2920033240   1.3745046347   2.1474044872
C    1.5761955477  -2.0523236285  -0.2023682853
C   -1.8189732813   1.4570583415   2.2546081673
C   -2.4734488989   1.7131349248   0.9255627646
C    0.2067710359  -3.4157076213   1.3628237212
C    2.2828732600  -3.0322004375   1.9748481120
C   -2.3475921416   2.9538620649   0.3035035566
C   -3.1677286676   0.7121209511   0.2532356684
C    0.5136652526  -4.0934540781   2.4999735689
C   -2.8856616736   3.1911130997  -0.9511881052
C   -3.7154033900   0.9288056956  -1.0037194080
C   -3.5645407997   2.1697834745  -1.5980653701
H    3.9297598036   1.1206199867  -0.2463507155
H    2.9360090696   2.0520915306  -1.3808037166
H   -0.1171834711  -0.7172365549   1.7353688044
H   -0.3792817875   0.2612085413   0.3036292944
H    2.1814814712  -0.6821021830   2.8597400577
H    2.4973125367   1.0351869820   2.7363108919
H    3.5679590214  -0.1044700231   1.9302279655
H    4.4228633724  -1.0667561026  -1.2213165452
H    4.1512523175  -0.1292753686  -2.6874726901
H    3.3884949996  -1.7006987656  -2.5090782718
H    0.5741956906   0.7703834502  -1.9389160062
H    1.7934640614   0.7321165568  -3.2068130644
H    0.9610357184  -0.7483168201  -2.7516202123
H    0.1152601480   1.2543608635   3.1540784467
H    0.0888411655   2.3255148866   1.7684683557
H   -2.0742152263   2.2577272064   2.9531869323
H   -2.2079655181   0.5319711759   2.6874018686
H   -0.6956880134  -3.3519851872   0.7782226017
H    3.2926429966  -2.6563103468   1.9256564235
H   -1.8179134173   3.7570107637   0.8025734671
H   -3.2832133764  -0.2631330493   0.7110145739
H   -0.1304847180  -4.7377804429   3.0775119075
H   -2.7747300172   4.1612908062  -1.4168346105
H   -4.2473883407   0.1343450184  -1.5098973532
*