! 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    4.8112688019   1.9418849974   0.2222644689
F   -1.8141238412  -1.9045731435   1.3980595572
F   -1.9349181460  -2.2795440720  -0.7414508228
O   -1.6328801100   2.5212601266  -0.3463572551
N   -0.5332694713   0.5573505047  -0.0724186742
N   -5.1398737562   0.4928793040   0.0257148362
N   -4.7228563858  -0.7504699457   0.2140923416
C    4.0028372492  -0.9546850476   0.1630698143
C    2.9410590216  -2.0688356892   0.3344949644
C    1.5927661603  -1.5153389425  -0.1540826524
C    3.1343965999   0.2829124199   0.1060525598
C    1.7854613309  -0.0250523373  -0.0119755542
C    4.9621940131  -0.9528547280   1.3534604266
C    4.8028132323  -1.1173677971  -1.1326210055
C    1.2644275059  -1.8986283011  -1.5987856020
C    0.8071546309   0.9736379379  -0.0408472771
C    3.5088091279   1.6115012095   0.1374664517
C    1.2188231481   2.3061741144   0.0058606580
C    2.5692385895   2.6189163363   0.0849569699
C   -1.6539826190   1.3099400568  -0.1708958960
C   -2.9548531558   0.6230066274  -0.0523678249
C   -3.4076266465  -0.7019319920   0.1713352097
C   -4.1287713564   1.3471986527  -0.1366407910
C   -2.6939890298  -1.9876537822   0.3556604200
C   -6.5504316580   0.8174189793   0.0313400703
H    2.8559371541  -2.3170536529   1.3946205902
H    3.2243154084  -2.9862172050  -0.1850303739
H    0.7942707595  -1.8915209479   0.4929484443
H    5.4324145248  -1.9334160450   1.4512904022
H    5.7611713941  -0.2203247128   1.2422508664
H    4.4377623106  -0.7442961827   2.2873418634
H    5.5093389819  -0.2974199334  -1.2695730879
H    5.3765051231  -2.0459316309  -1.1089935414
H    4.1593720575  -1.1486508237  -2.0119220550
H    0.3608834823  -1.4080967999  -1.9611916237
H    1.1120705007  -2.9749534877  -1.6837176932
H    2.0724124887  -1.6221089654  -2.2761050243
H    0.5072611376   3.1131391039  -0.0151008191
H    2.8795317079   3.6551595766   0.1149490551
H   -0.6532967447  -0.4313219033   0.0563451500
H   -4.2932878054   2.4002173734  -0.2956459376
H   -3.3787022865  -2.8144078725   0.5394420120
H   -6.8319824848   1.2860369764  -0.9080891579
H   -7.1165389073  -0.0991464979   0.1558404823
H   -6.7783761011   1.4924396037   0.8525606565
*