! 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  -5.5988532008   2.6456899022  -2.4976880782
O    2.9657839729   1.3615860244   0.7538144891
O    2.4843937168  -2.6309672396  -1.1939824764
N    2.3756923701  -0.6534349161  -0.0889838063
N    1.5517910442  -2.6402387437   0.8752342859
N    1.2519286109  -4.2053207164   2.3927002555
C    2.3938881103   0.1430333250   1.1740323745
C    2.9387072753   0.1262223872  -1.2155902152
C    2.8088124616   1.5285046115  -0.6329682704
C    1.0079709250   0.3912815053   1.7787247113
C    3.3344894531  -0.4375883412   2.2212167851
C    4.4074142676  -0.2160829339  -1.4591261122
C    2.1207566697   0.0160132315  -2.4944464013
C   -0.0748765588   0.8800827408   0.8272017879
C    2.1858705416  -1.9712672184  -0.2226810433
C   -1.4408067896   0.9524187605   1.5145543178
C   -2.5145079665   1.3758073732   0.5537055228
C    0.2056678090  -2.6611376716   1.1521211666
C    2.1254286346  -3.6133239165   1.6320257242
C   -2.7469660650   2.7231865715   0.2886816176
C   -3.2612468966   0.4314670461  -0.1453448480
C    0.0478911764  -3.6270072029   2.0964343170
C   -3.6912221452   3.1229249211  -0.6449762609
C   -4.2110998690   0.8099642954  -1.0828154603
C   -4.4163757952   2.1581749124  -1.3263871776
H    3.5913528372   2.1957154238  -0.9961930490
H    1.8423622919   1.9781658275  -0.8851510329
H    1.1503909486   1.1279428630   2.5749380539
H    0.6675455475  -0.5133137443   2.2845518676
H    3.5218481064   0.3134632103   2.9892908347
H    4.2922336591  -0.7179167687   1.7820336794
H    2.9144784994  -1.3056086512   2.7232504257
H    4.5395625705  -1.2537778386  -1.7586547166
H    5.0164850460  -0.0346552464  -0.5721662221
H    4.7996180079   0.4107176951  -2.2612744180
H    1.0529252968   0.1173571651  -2.2961931103
H    2.4079068139   0.8267408218  -3.1664289994
H    2.2861383130  -0.9198178254  -3.0229775526
H    0.1712415949   1.8717640713   0.4413422961
H   -0.1520397625   0.2221728851  -0.0439177604
H   -1.3885903965   1.6521257677   2.3526536746
H   -1.6880364059  -0.0235725150   1.9417107394
H   -0.5007754745  -2.0237106412   0.6483745682
H    3.1837115937  -3.8212550647   1.5909080687
H   -2.1844373520   3.4821828220   0.8196881201
H   -3.1065400498  -0.6247588349   0.0417156118
H   -0.8683951378  -3.9360284618   2.5745262595
H   -3.8575357346   4.1747578453  -0.8352877267
H   -4.7815692306   0.0593422780  -1.6134491920
*