! 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   4.8935042733  -0.6516284561   0.1316633826
Cl  -5.3565574698   1.2136767020   0.2923752540
F   -1.3665281461  -1.3819477496  -1.3232516759
F    0.1844132061  -2.1774532369   0.8782574888
O   -4.1038355969  -0.8611207691  -1.2562334085
O    2.8130806558   3.1713565740  -0.3459318892
O    4.5135220491   1.9517297165  -1.1175187054
N    1.3087932356   1.0539606366  -0.1325231644
N    2.8528896196  -2.6593574259   0.8661779788
C   -0.9481187921   0.3294320677   0.2198576150
C    0.5015691399   0.0492166347   0.1802076904
C   -1.8432222451  -0.4170724446  -0.5269834960
C    1.0056907765  -1.1889405878   0.5062401898
C   -1.4381857392   1.3939148116   0.9680378279
C    2.3763788204  -1.4589854038   0.5021641559
C   -3.2151804471  -0.1805754025  -0.5222807840
C    2.6167502285   0.8526779920  -0.1662290214
C    3.1936658578  -0.3771608368   0.1280390392
C   -2.7922794576   1.6731207649   0.9885728314
C   -3.6666680815   0.8817182621   0.2619213378
C    3.4340330105   2.0319266082  -0.5914418176
C   -4.0458303666  -2.2847212275  -1.2961906209
H   -0.7547776777   2.0022322641   1.5443114708
H   -3.1703138656   2.4942740794   1.5811553501
H    2.2299220713  -3.4393904656   0.9834352750
H    3.8228828400  -2.8833465370   0.7289171911
H   -3.6957815590  -2.7076343795  -0.3538690263
H   -3.4199723448  -2.6407215389  -2.1125304867
H   -5.0643422242  -2.6266317756  -1.4696953264
H    3.3527685649   3.9094665504  -0.6684170801
*