! 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  -2.9737453669  -2.5946500609   2.0270645068
F    5.3702759050  -0.9183374468   0.5993757979
F    4.5038990602  -1.0039923739  -1.3722907457
F    6.0685122790   0.3980719323  -0.9411406985
F   -5.0272219040   1.9837975530  -1.5900994307
F   -5.8868961708   1.3996522607   0.2956702295
F   -4.2671968373   2.8132594792   0.2394080182
O    2.5266940025  -1.7964404831   0.6517819524
N    1.1181712506  -1.0404202244  -0.9508343413
N   -1.7467946339  -0.4249024630  -1.0278577637
C   -0.7436595727  -2.4145801538  -0.0462368997
C    0.3472307464  -2.2554680328  -1.0931436708
C   -1.8136508136  -1.3655541354  -0.0927814145
C    2.5960520732   0.5156462114   0.0950095231
C    2.0887647222  -0.8899655975  -0.0447699211
C    3.9461021587   0.8538906153  -0.0348542344
C   -2.8725626224  -1.3675130578   0.8190700886
C   -3.7480778821   0.5748165639  -0.2200343992
C   -3.8506392300  -0.3960664809   0.7636138031
C    1.6815311425   1.5029179409   0.4411672047
C    4.3547131603   2.1616861259   0.1893028366
C   -2.6753087596   0.5165731684  -1.0940986005
C    4.9685278563  -0.1695582102  -0.4339048562
C    2.0947538345   2.8062859709   0.6732824820
C    3.4332074186   3.1344407347   0.5491600859
C   -4.7378802445   1.6898650762  -0.3184254175
H   -1.2045980913  -3.3980831126  -0.1773071793
H   -0.2989846070  -2.4344091514   0.9524644723
H    1.0159793875  -3.1124999582  -1.0323526157
H   -0.0776245363  -2.2606140170  -2.0942452342
H    0.7741486201  -0.2263945058  -1.4320763037
H   -4.6660742426  -0.4058063314   1.4740999995
H    0.6349241559   1.2509662359   0.5532121979
H    5.3928230666   2.4427913291   0.0818085261
H   -2.5484924956   1.2503261742  -1.8811756343
H    1.3691478638   3.5586004082   0.9503466341
H    3.7674128626   4.1475327732   0.7243314703
*