! 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  -4.9124720009   1.6917840140   0.5597635522
F   -2.7773421193  -2.6313389704  -1.2828248782
F   -0.7440212229  -2.0673481845  -1.6857942462
F   -1.2396922722  -3.0865925053   0.1432378279
O    2.2201286660   1.7926769999  -0.4323564939
N    2.6497633652  -1.0432694302   0.2325488946
N    0.4304968252  -0.7948258324   0.6282370151
N    4.7878771743  -1.5717188549   0.1281589361
C    1.4443564751  -0.3803054085   0.0021414169
C    1.4834234557   0.7468667194  -0.9972297794
C    2.3774148754   2.8895832061  -1.3131133464
C   -0.8084733559  -0.1745012131   0.5467602811
C    3.1649593677   3.9783651034  -0.6189355557
C   -1.8905122785  -0.8306517160  -0.0517030388
C   -1.0217882204   1.0664994565   1.1424224211
C   -3.1502232950  -0.2504349609  -0.0539582430
C    2.8237744572  -2.1385491764   1.0545974384
C    2.4862675898   4.5265833296   0.6270560901
C    3.8794364896  -0.7520167174  -0.2959574660
C   -1.6661328687  -2.1549115614  -0.7151854984
C   -2.2785285145   1.6446248315   1.1492491906
C   -3.3360181199   0.9805989652   0.5512605015
C    4.1400552974  -2.4452851847   0.9691908391
H    0.4596392187   1.0529909183  -1.2396171014
H    1.9279589222   0.3837838009  -1.9349788003
H    1.3934483042   3.2711752483  -1.6208260472
H    2.8977583199   2.5696525239  -2.2263121736
H    4.1635682880   3.6057432790  -0.3737367960
H    3.3095277844   4.7817886428  -1.3458661095
H   -0.1961439374   1.5771796489   1.6207150875
H   -3.9888640983  -0.7467833393  -0.5215077275
H    2.0097553971  -2.5851301171   1.5974318215
H    3.0662168090   5.3439829908   1.0572819412
H    1.4919819034   4.9160774192   0.3983166737
H    2.3739413535   3.7652497808   1.3993045642
H    4.0482598609   0.0680851010  -0.9736753616
H   -2.4241976134   2.6074062460   1.6197576241
H    4.6630155408  -3.2468492565   1.4664245768
*