! 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  -7.5410045378  -1.4732249323  -1.5711312580
F    3.4835885680  -0.8633371409   1.1099301055
F    2.4343623089  -2.7111070402   1.0424988166
F    3.1343558956  -1.8564590073  -0.7814647544
O    3.2942668809   0.8297792383  -0.9116880472
O   -2.1597173929  -1.9791128176   0.6870120689
N    3.7757828956   3.0066304860   0.9096891031
N    3.7082411603   4.3130916614   0.6361431538
N    5.8483784931   3.6508431031   0.7727299878
C    2.2128307947   1.5330706125  -0.3501409125
C    1.0928966413   0.5343415657  -0.0571791930
C    2.6071035903   2.1663438641   1.0053140020
C    1.7725164111   2.6147417252  -1.3385718161
C    1.2573051318  -0.8289904178   0.2568198648
C   -0.2110818724   1.0255423089  -0.0543140215
C    0.1396224295  -1.6331812739   0.4613477732
C   -1.3232947083   0.2395198380   0.1866198023
C   -1.1410966685  -1.1105498017   0.4193201602
C    2.5839846718  -1.5439349565   0.3943985310
C    5.0529066193   2.6287523346   0.9765337126
C    4.9703536421   4.6498751747   0.5706071627
C   -3.3988472564  -1.7968957561   0.1286289219
C   -4.4964648128  -2.0460584265   0.9386167194
C   -3.5687488030  -1.4502997883  -1.2054459230
C   -5.7760045101  -1.9539564471   0.4144230254
C   -4.8485801239  -1.3442673825  -1.7263399363
C   -5.9430807079  -1.5977868535  -0.9142178904
H    1.7874778613   2.7676983246   1.3944864248
H    2.8186048341   1.3964475764   1.7437075344
H    1.0458163383   3.3103941577  -0.9253867834
H    2.6327094155   3.2145896358  -1.6411465438
H    1.3497679009   2.1669248722  -2.2378083352
H   -0.3884670113   2.0728567381  -0.2484722490
H    0.2425877105  -2.6879319101   0.6723928207
H    3.8635277718   1.4512152833  -1.3791032327
H   -2.3055431513   0.6926836176   0.1837477476
H    5.3556977810   1.6171692609   1.1957700080
H    5.2710699163   5.6659912579   0.3690403841
H   -4.3556945589  -2.3200166710   1.9760207898
H   -2.7195173296  -1.2681413103  -1.8512540072
H   -6.6306437016  -2.1531522137   1.0462232135
H   -4.9819429748  -1.0744448469  -2.7648940271
*
