! 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  -1.3940566958  -0.4184380813  -2.0945658371
Cl  -4.7759385951   3.2313765598  -0.1644498548
F    3.0108815785  -0.0844881104  -1.1410880330
F    4.1579842293   1.4018372732  -0.0833641271
F    5.5318678077  -0.8774986100  -0.6412372976
F    4.0680340220  -2.0614903568   0.4665228056
O    2.6717731136   0.1872937309   1.0561094081
N   -0.8731609404  -2.0511594885   0.9470006071
N   -2.1866930398  -1.8942864983   1.1247142356
N   -1.7790348028  -3.6612251397  -0.1986904565
C    0.3135431361   0.0530169455   0.4552209107
C    0.0944095977  -1.1007452817   1.4412627027
C    1.4635047810   0.9498001034   0.9097308317
C   -0.9492589236   0.8566626563   0.2699249124
C   -1.7788623795   0.7120648428  -0.8398756837
C   -1.3654290336   1.7546440541   1.2507600252
C    3.5684160764   0.1886372871   0.0646286464
C   -2.9520232479   1.4360504718  -0.9875914795
C   -2.5307408593   2.4917898070   1.1357400569
C   -0.6498636188  -3.0946356522   0.1475117198
C   -3.3151074729   2.3254977182   0.0074201812
C    4.6494669329  -0.8434442029   0.3810503215
C   -2.6821245847  -2.8800065435   0.4222964825
H    0.5948568694  -0.3814825225  -0.5047860756
H    1.0253782958  -1.6412633375   1.6062647445
H   -0.2469597206  -0.7351361445   2.4090402637
H    1.5923274135   1.7816338399   0.2155357302
H    1.2818853267   1.3729229044   1.8962943671
H   -0.7726602782   1.8861887767   2.1464155362
H   -3.5732360009   1.3000881326  -1.8616611545
H   -2.8192339242   3.1790969462   1.9183866526
H    0.3407359849  -3.4107489834  -0.1406979019
H    5.1720063532  -0.6196703577   1.3108635372
H   -3.7455993627  -3.0508223697   0.3649434247
*
