! 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
F   -2.1503992122  -1.7050496847   1.2201594794
F   -4.1825639375  -1.3916705477   1.8320016104
F   -3.7674841455  -2.1146393010  -0.1432658512
O    4.8887121225   0.3042562899   0.3331996058
O   -1.2636733294  -1.2562791612  -1.5463041273
N    0.1586889198   0.1028480478  -0.3871948589
C    4.8010132845   1.5574387897   1.0224324817
C   -2.1712204133   0.6157483855  -0.4124272074
C    1.4182932604  -0.4637142201  -0.6226220619
C    3.7914198992  -0.2669876084  -0.2031728335
C   -3.2776020318   0.1493843677   0.3030135028
C    2.4976149244   0.2114830703  -0.0437366308
C   -1.0526211803  -0.2897914609  -0.8351532161
C    6.0561290693   1.6678289758   1.8617821701
C    4.6726886540   2.7053756042   0.0374689572
C    1.6309206559  -1.6193807944  -1.3674227727
C    4.0107251874  -1.4264960246  -0.9507142273
C   -2.1367274644   1.9412871265  -0.8271851284
C   -4.3327668226   1.0087182009   0.5783979418
C    2.9344427980  -2.0800856314  -1.5159375422
C   -3.3429002503  -1.2655358600   0.7985928614
C   -3.1977557963   2.7933296321  -0.5571137282
C   -4.2970866460   2.3251205009   0.1415610484
H    3.9384591156   1.5435719745   1.6962802842
H    2.2967304682   1.1081201647   0.5285614978
H    0.1632568289   0.9105006220   0.2191650700
H    6.0349940732   2.5958840228   2.4322818479
H    6.1348113298   0.8444058657   2.5722013274
H    6.9533095824   1.6782022591   1.2405020714
H    3.7759272136   2.6343238591  -0.5789674099
H    5.5385085594   2.7445326584  -0.6258848370
H    4.6204723620   3.6512329657   0.5770018305
H    0.8187738575  -2.1589311327  -1.8231518453
H    5.0177559616  -1.8028152512  -1.0772645526
H   -1.2850999790   2.3103779983  -1.3839763191
H   -5.1912580039   0.6662329186   1.1392282384
H    3.1069655140  -2.9792757266  -2.0927108208
H   -3.1616335423   3.8198261268  -0.8955089799
H   -5.1281345582   2.9821790688   0.3575396001
*