! 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  -5.8842736011  -4.5145317880  -0.7274880544
F    2.2864893538  -1.5770448496  -0.0891196989
F    1.7023893105  -1.1704175680   1.9583634403
F    0.4862756047  -2.3853496946   0.6994360945
O    3.1754068930   0.7618056706   0.8044465011
O   -3.1204008182   0.6260393787  -0.2255717180
N    4.0628507808   3.3339853173   0.4327709221
N    4.8834133512   3.7525163888  -0.5368851829
N    6.0050137576   3.5215906367   1.3928925762
C    2.5154131965   1.4988314822  -0.1944448011
C    1.0272027613   1.1436070295  -0.1846938412
C    2.6836286748   2.9960286712   0.1857316581
C    3.0899168673   1.2232519529  -1.5820702369
C    0.4675897493  -0.0754240510   0.2381807789
C    0.1417277150   2.1008617408  -0.6818088748
C   -0.9160867535  -0.2515601452   0.2287328394
C   -1.2260537411   1.9184674625  -0.7261226760
C   -1.7592192282   0.7384736987  -0.2433218619
C    1.2537565280  -1.2812786159   0.7053688338
C    4.7472777928   3.1949904649   1.5679809714
C    6.0274380964   3.8514498137   0.0885178319
C   -3.7133223947  -0.6068735955  -0.3441758337
C   -3.3593096761  -1.4926393786  -1.3532915667
C   -4.7307986603  -0.9162323448   0.5440938292
C   -4.0266653761  -2.7012808772  -1.4670195759
C   -5.4082095212  -2.1199495183   0.4229868847
C   -5.0465419161  -3.0060962896  -0.5783908665
H    2.3264987340   3.6688189927  -0.5888431083
H    2.1228704499   3.2090409179   1.0957163047
H    4.1533863203   1.4637849562  -1.6304725769
H    2.9690640089   0.1759306673  -1.8556400975
H    2.5834139200   1.8233186523  -2.3374393235
H    0.5182632384   3.0363457476  -1.0681417756
H   -1.3460560586  -1.1726034106   0.5938010250
H    4.0224084246   0.4514099977   0.4685659784
H   -1.8681402508   2.6934630266  -1.1229620591
H    4.2932730189   2.8785358382   2.4928779995
H    6.9190952893   4.1835931211  -0.4196353239
H   -2.5736410362  -1.2517730555  -2.0577299271
H   -5.0009259158  -0.2198484152   1.3267421998
H   -3.7537610591  -3.3919676215  -2.2527139091
H   -6.2042943777  -2.3603974291   1.1138522410
*