! 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  -2.5318806907   0.1398581590  -2.3986708632
Cl  -4.2636891467   4.7204395402  -0.2616538865
F    3.6306737618   0.4589023343   0.9130967742
F    2.6988103033  -1.0227304681   2.1741762386
F    4.9819363271  -1.8650487312   0.9602084126
F    4.1041472306  -1.4942188432  -1.0043982850
O    1.8238946346  -0.6135763364   0.1572566270
N   -0.4012696829  -2.3532452697   0.4821940046
N   -0.1549798886  -2.9542236676  -0.6810863127
N    0.9057388791  -4.0115944283   0.9881483594
C   -0.4430730565   0.0498798379  -0.1543763180
C   -1.1494540335  -1.1204246446   0.5465877168
C    0.8846029206   0.4199396438   0.4929570040
C   -1.3901035931   1.2242226455  -0.1822881209
C   -2.3759519325   1.3441506230  -1.1625993240
C   -1.3463068356   2.2248462232   0.7859697343
C    2.9452547201  -0.7089330040   0.8740913486
C   -3.2640002141   2.4068917308  -1.1983694345
C   -2.2164266668   3.3027477196   0.7767861651
C    0.2455652758  -2.9815363048   1.4617012340
C   -3.1695564475   3.3837727415  -0.2224380032
C    3.8179356587  -1.8128992855   0.2772169082
C    0.6300016467  -3.9382807879  -0.3276677048
H   -0.2311499334  -0.2406280164  -1.1864319872
H   -1.3121215315  -0.8905305843   1.5995534282
H   -2.1278917956  -1.2917123932   0.1006107524
H    1.2424360259   1.3708767476   0.0948983031
H    0.7860650146   0.5113467651   1.5769333414
H   -0.6124781414   2.1797666677   1.5796495731
H   -4.0128370933   2.4694671635  -1.9755344196
H   -2.1456585215   4.0640485461   1.5409030789
H    0.1915055661  -2.6728389193   2.4931787075
H    3.3303200299  -2.7874638297   0.3134475415
H    1.0116272607  -4.6442396098  -1.0484542169
*
