! 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  -1.7073740981  -0.4084850425  -2.5085189845
Cl  -4.7387087020   3.1159436113   0.1124220417
F    4.1552029941   1.1860216003  -1.0748170585
F    4.0315996295   1.2534979944   1.0783612180
F    4.8549246701  -1.4842842335  -0.9513122496
F    4.7358859738  -1.3932619062   1.2279749434
O    2.6794666351  -0.1311268923  -0.0400404038
N   -0.9356634746  -2.0351605144   0.8998207309
N   -1.9187737286  -1.9060980861   1.7934888133
N   -2.5092180092  -3.3513701256   0.1816624813
C    0.3077057301  -0.1792245721  -0.1311543823
C    0.2764257442  -1.2486380488   0.9675799419
C    1.5264386048   0.7224043727   0.0050572018
C   -0.9538165432   0.6477574264  -0.1089654848
C   -1.9144211155   0.6044181090  -1.1165357587
C   -1.2224010687   1.4758735863   0.9794456408
C    3.8921160754   0.4219399862   0.0162863610
C   -3.0799490722   1.3554955720  -1.0605377472
C   -2.3712463218   2.2405810501   1.0648122341
C   -1.3059293756  -2.8871720795  -0.0549830773
C   -3.2934087321   2.1721843783   0.0342754236
C    4.9640386438  -0.6617443107   0.1150802895
C   -2.8306944707  -2.7171692719   1.3234508291
H    0.3902674103  -0.6875295293  -1.0932830175
H    1.1288120486  -1.9188955426   0.8732797839
H    0.3157596480  -0.8031341294   1.9602238206
H    1.5443728706   1.4402905823  -0.8167608579
H    1.5093322718   1.2718432463   0.9479657574
H   -0.5184416209   1.5287245379   1.8001341368
H   -3.8064275025   1.2994442622  -1.8588859530
H   -2.5417177042   2.8732796576   1.9241735524
H   -0.6698997110  -3.1546223884  -0.8835718677
H    5.9693562290  -0.2412177007   0.1523815279
H   -3.7729235020  -2.8573188591   1.8293981296
*
