! 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  -6.1055086978  -1.9889927375   1.6960997545
F    2.0517620885  -1.2527964352   1.8254805742
F    1.2196722302  -2.8106219829   0.6331606499
F    3.1798229058  -2.1161419331   0.1876067414
O    3.8740265258   0.4052197794   0.6859912783
O   -1.9009580657  -0.3792546752  -2.0484798478
N    2.5100543361   3.0081302756   0.2690132209
N    2.3127582600   2.5794180333   1.5183781021
N    0.7955530622   4.1270863545   0.9844248253
C    3.4621829258   0.8747239216  -0.5708621061
C    2.0466076538   0.4074728737  -0.9381282568
C    3.5433118834   2.4193952519  -0.5522840193
C    4.4643871457   0.3710734875  -1.6040363134
C    1.3650059069  -0.6928996833  -0.3879962159
C    1.3735201413   1.1327042992  -1.9208518384
C    0.0424873350  -0.9471550379  -0.7476564729
C    0.0658666242   0.8829847417  -2.2875808550
C   -0.6137463695  -0.1458313224  -1.6654579432
C    1.9712370019  -1.6984069270   0.5667888942
C    1.5938507626   3.9241531336  -0.0388227955
C    1.2738153498   3.2756598665   1.9078498677
C   -2.8375466992  -0.7534547303  -1.1274362051
C   -3.7960865835  -1.6673697709  -1.5390121516
C   -2.8856755094  -0.2106795487   0.1505594838
C   -4.8101085286  -2.0431712799  -0.6727390202
C   -3.8921119538  -0.5965534795   1.0214963715
C   -4.8475648891  -1.5104331196   0.6057396422
H    4.5196645091   2.6982271325  -0.1516734695
H    3.4715016789   2.8628570837  -1.5427087962
H    4.1900478560   0.6944602204  -2.6080061585
H    5.4647268700   0.7514145521  -1.3879876655
H    4.5099432658  -0.7169752680  -1.6071280962
H    1.8755301396   1.9436984010  -2.4297062166
H   -0.4877531080  -1.7865238252  -0.3206854998
H    3.3954897529   0.9075564247   1.3656376663
H   -0.4177220102   1.4886882380  -3.0427473144
H    1.5520389675   4.4141354208  -0.9989462805
H    0.8521112250   3.1660395993   2.8947475744
H   -3.7563218522  -2.0837417062  -2.5371213142
H   -2.1543857893   0.5156193015   0.4813010881
H   -5.5571107102  -2.7542879653  -0.9976711119
H   -3.9271187631  -0.1738392781   2.0162320948
*