! 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  -7.5355621015  -1.2931324376  -1.4946395143
F    3.2408868872  -1.8477558480  -0.9274884024
F    3.5249005778  -1.0883275705   1.0832934191
F    2.4955225193  -2.9192375970   0.7576880852
O    3.4802040044   0.8460458016  -0.7344154878
O   -2.0945068531  -2.1148064504   0.5138576936
N    3.6355250484   3.0934622259   1.0533128995
N    3.2847580231   4.3830695609   1.0136623487
N    5.5007190769   4.1657452067   0.7394990433
C    2.3063184177   1.4459117910  -0.2461104846
C    1.1777176315   0.4287716129  -0.0230011813
C    2.6532502774   2.0399978993   1.1301975029
C    1.8867353669   2.5413579084  -1.2296000925
C    1.3295867438  -0.9559853259   0.1758005322
C   -0.1237737300   0.9276568301   0.0252555700
C    0.2062216946  -1.7674777226   0.3147816392
C   -1.2414801402   0.1335553436   0.2016469287
C   -1.0703564642  -1.2336593517   0.3185788359
C    2.6540872913  -1.6804589722   0.2624597235
C    4.9523623691   2.9824183086   0.8780770724
C    4.4328208240   4.9802486678   0.8275028721
C   -3.3474161585  -1.8574219033   0.0189572296
C   -3.5540866135  -1.3810192356  -1.2689625478
C   -4.4226917302  -2.1639635253   0.8391181087
C   -4.8479160614  -1.2009398262  -1.7316845001
C   -5.7167108975  -1.9980338195   0.3716744049
C   -5.9201048476  -1.5113486173  -0.9095733590
H    1.7629570979   2.4561836407   1.5964623431
H    3.0323795236   1.2631473755   1.7921262901
H    1.5405277973   2.0968166904  -2.1641320013
H    1.0990000361   3.1912804174  -0.8570282892
H    2.7432765320   3.1744151877  -1.4619216826
H   -0.2926569929   1.9898633665  -0.0740574432
H    0.3025866599  -2.8365419769   0.4382993533
H    3.3958309945   0.7402531750  -1.6885727564
H   -2.2199971585   0.5929686413   0.2421478737
H    5.4704457301   2.0375211675   0.8792025631
H    4.5037835903   6.0544908289   0.7597739587
H   -2.7226781676  -1.1528684678  -1.9231180541
H   -4.2528289904  -2.5404139725   1.8392287400
H   -5.0104781274  -0.8280337147  -2.7334341879
H   -6.5542958943  -2.2423337280   1.0103378946
*