! 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  -0.9571368581  -0.8159520269  -2.0477513188
F    4.3040423137  -1.2212466751   1.0701825254
F    4.8722939804  -1.2308578697  -1.0100691117
F    5.8596273649   0.0762564251   0.3695840888
F   -4.2180360708   2.6913152557   0.8009961335
F   -5.4054051413   1.7345172589  -0.7105831182
F   -5.7616140975   1.3051291965   1.3686132053
O    2.0644766722  -1.9379109435  -0.6304728277
N    0.8693465505  -1.1070682875   1.0953938303
N   -2.8006291626  -1.4906485398   1.3882184476
C   -0.9457284439  -2.6995557460   0.4510527685
C    0.1854839058  -2.3407204742   1.4181478150
C   -1.9589716131  -1.6024615715   0.3648866290
C    2.2804121656   0.3799971574  -0.1455147290
C    1.7367229064  -1.0001650677   0.0821782705
C    3.6535361856   0.6368878700  -0.2250515185
C   -2.0240343165  -0.6948439624  -0.6945886438
C   -3.8127277143   0.4189137222   0.3999340642
C   -2.9526768227   0.3275724461  -0.6820831502
C    1.3853946577   1.4220550509  -0.3557500936
C    4.1009918210   1.9149516757  -0.5306581502
C   -3.6978074299  -0.5191346342   1.4129176024
C    4.6669660859  -0.4375552197   0.0467544628
C    1.8370211864   2.6960461291  -0.6679308629
C    3.1955624836   2.9402918350  -0.7622763119
C   -4.8045638734   1.5340224226   0.4675791486
H   -0.5379377061  -2.9484057420  -0.5259482386
H   -1.4321274040  -3.5971769606   0.8347856808
H   -0.2123703158  -2.2291834264   2.4243475230
H    0.9006735937  -3.1627344995   1.4473343393
H    0.6547943990  -0.2896081047   1.6434997324
H   -2.9966740028   1.0305870803  -1.5034345743
H    0.3205712535   1.2418403270  -0.2906649176
H    5.1583175514   2.1316824966  -0.5862845085
H   -4.3463162384  -0.4972238421   2.2791409252
H    1.1243632962   3.4911811957  -0.8384007279
H    3.5595920126   3.9288527094  -1.0052191069
*