! 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   1.3372734422  -2.5844474394   0.9750706357
F   -3.1161854124   3.1851053285   1.6528032880
O    0.0186008626  -0.3435310093  -2.5876747728
N    2.5144984520   1.3311422517  -0.4452491586
N    2.3604400703   2.5361145079   0.1091531772
N    3.4981542273   1.1768799635   1.4865212593
C    0.5338381133   0.3005878482  -1.4393341674
C    0.4429140123  -1.1663540963  -1.5169517772
C    1.8720771143   0.9708860447  -1.6848375390
C   -0.4473139467   1.0614225210  -0.6151173084
C   -0.6089743798  -1.9116077945  -0.7812206456
C   -0.4443275222   0.9404608158   0.7699824935
C   -1.3613305714   1.9128665078  -1.2229833810
C   -0.2930282375  -2.6177562052   0.3750042870
C   -1.9324534360  -1.9208409947  -1.2089573977
C   -1.3414800445   1.6566299678   1.5457537753
C   -2.2681217080   2.6364836987  -0.4627235725
C    3.1785286499   0.5323497065   0.3917429895
C   -1.2482251593  -3.3206546354   1.0894680082
C   -2.9021190177  -2.6185597109  -0.5058307932
C   -2.2399492341   2.4909705609   0.9100087839
C   -2.5605817764  -3.3210188165   0.6406215309
C    2.9691541233   2.3937341463   1.2570913748
H    1.3600542741  -1.7190274535  -1.7152485109
H    1.7362049085   1.8785054351  -2.2707426194
H    2.5339207244   0.3101856351  -2.2443698287
H    0.2557198098   0.2763160440   1.2621573583
H   -1.3769984895   2.0209189301  -2.2998202582
H   -2.2082347534  -1.3727601660  -2.0993840531
H   -1.3448199130   1.5607245948   2.6231976092
H   -2.9826838250   3.2997176930  -0.9316726354
H    3.4327719817  -0.4875326093   0.1516490929
H   -0.9728246731  -3.8584838253   1.9864721794
H   -3.9258628259  -2.6124440655  -0.8552101948
H   -3.3119314294  -3.8694251062   1.1922896161
H    3.0400262535   3.2080824088   1.9607764527
*