! 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 "WATER"
end
*xyz 0 1
Cl  -4.4034771934  -0.6386021911  -2.7124076958
F   -1.6427742657  -0.2902940567   2.6566531728
F   -2.3893704429  -2.1040085178   1.7899972163
F   -0.3074062200  -1.6124253675   1.6073113497
O    3.3980145214   1.6300705531   1.5183340073
N    1.7734905270   0.7856076652  -0.6883384852
N   -0.0246187711   1.1914950935   0.7908158200
N    2.2280180516  -0.6275465697  -2.3209749443
C    1.1955794217   1.3129839050   0.4746554569
C    2.1010889331   2.1276551439   1.3630941312
C    3.5484078281   0.6276612657   2.5134039582
C   -1.0104479455   0.7124000426  -0.0653083522
C    3.2520648869  -0.7825717710   2.0360715048
C   -1.8193991317  -0.3670585698   0.3079677686
C   -1.2873729934   1.3714217591  -1.2629818003
C   -2.8563889129  -0.7878845222  -0.5133177604
C    2.7791499182   1.3611017807  -1.4381849033
C    4.1782704177  -1.2580644888   0.9277934954
C    1.4937155150  -0.4194524724  -1.2729980080
C   -1.5454528460  -1.0895183525   1.5902406004
C   -2.3271104351   0.9645725793  -2.0769086301
C   -3.1028733378  -0.1188344923  -1.6984460187
C    3.0263005562   0.4853220651  -2.4420674870
H    1.5861716491   2.2580100889   2.3202251227
H    2.1829742973   3.1234487162   0.9144027272
H    2.9256661556   0.8685294373   3.3831472360
H    4.5897144642   0.6857965806   2.8390108484
H    3.3571040217  -1.4358618401   2.9063024591
H    2.2063529127  -0.8748867030   1.7327443066
H   -0.6920188153   2.2268301072  -1.5536181468
H   -3.4759440350  -1.6291403018  -0.2370996068
H    3.1908826911   2.3309928631  -1.2198726561
H    4.1499118117  -0.6032694827   0.0566631295
H    5.2124603661  -1.2921043222   1.2760044666
H    3.9113451235  -2.2607838988   0.5938662297
H    0.7802154130  -1.1163757858  -0.8653478907
H   -2.5266903369   1.4931191376  -2.9988629012
H    3.7342313948   0.5907653731  -3.2476983764
*