! 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  -0.3590848948   0.6242837882  -2.1921888314
F    5.1740470663  -0.8087007802   0.0137430843
O   -0.4709892661  -0.2125138255   2.2884978184
N   -3.4104708983  -2.1892525813   0.3880019560
N   -1.7708579093  -2.9902039954  -1.1124432672
C   -0.3419652954  -0.0839202412   0.8874625863
C    1.1339079573  -0.2699815870   0.5516679699
C   -0.9078867825   1.2628303409   0.4116868246
C   -1.2562670546  -1.1686256500   0.3314853000
C    1.9444615747   0.7836733947   0.1462892134
C    1.7328194981  -1.5039517567   0.8101751491
C   -0.9795515169   1.6401680060  -0.9313570023
C   -1.4370538109   2.1539385446   1.3425280483
C   -2.5505612044  -1.2787067700   0.8241508338
C   -0.9213190043  -2.0724035746  -0.6634849098
C    3.3098073803   0.6128666277  -0.0363387192
C    3.0907937619  -1.6986818779   0.6226583217
C   -1.5388461491   2.8460301294  -1.3264133456
C   -1.9994082413   3.3633396279   0.9628642083
C    3.8571275182  -0.6306807316   0.1968167058
C   -2.0517475746   3.7130464206  -0.3758046399
C   -2.9723594777  -3.0018178343  -0.5616648124
H    1.5308859948   1.7680579670  -0.0254738895
H    1.1435205581  -2.3390332861   1.1675626213
H   -1.4237132715   1.9023142407   2.3929970099
H    0.1778271607   0.3605242087   2.7156344475
H   -2.9177495634  -0.6086007275   1.5926499243
H    0.0594704248  -2.0700332476  -1.1205485641
H    3.9312893452   1.4398677908  -0.3527283203
H    3.5435054249  -2.6624387033   0.8143114899
H   -1.5733341503   3.1051586412  -2.3758389591
H   -2.3984413154   4.0258484491   1.7188193135
H   -2.4881646559   4.6519381974  -0.6879612145
H   -3.6679547311  -3.7496716588  -0.9214919526
*