! 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   -4.3018790670  -2.1062498857   1.0146626401
F   -3.7413577838  -1.9487987074  -1.0481264747
F   -2.2258862018  -2.0032833760   0.4829309929
O    4.5023847152   0.8899865338   0.8429678237
O   -1.3183854543  -0.4416424148  -1.8490941857
N   -0.0439759855   0.4596765928  -0.1840580652
C    5.9067739990   0.6377989368   0.6954333298
C   -2.4097977911   0.7685980830  -0.1274831971
C    1.2633186268   0.1190895030  -0.5555240240
C    3.6144341935   0.3351217574  -0.0066694327
C   -3.4849227362  -0.0216460021   0.2912463090
C    2.2766794456   0.6158813957   0.2581651126
C   -1.2081272787   0.1855786320  -0.8106687193
C    6.6159409526   1.7515318858   1.4368753299
C    6.2729989295  -0.7300123675   1.2423280900
C    1.5850630686  -0.6766791234  -1.6560703715
C    3.9427795423  -0.4602310557  -1.1034016079
C   -2.4830186200   2.1481548191   0.0164165923
C   -4.6107520200   0.5791640279   0.8360044325
C    2.9208118042  -0.9476276757  -1.9037629326
C   -3.4377936587  -1.5180704071   0.1819583026
C   -3.6153690377   2.7446970045   0.5523434814
C   -4.6795841125   1.9595553396   0.9592028530
H    6.1765110908   0.7007500444  -0.3639040122
H    2.0303631468   1.2367431269   1.1119743935
H   -0.1189431980   0.9794172125   0.6788730776
H    7.6942214561   1.6285295608   1.3405668037
H    6.3562421022   2.7289980585   1.0303526037
H    6.3715429666   1.7409329891   2.4999910504
H    5.7434050549  -1.5392914561   0.7394612289
H    6.0560140805  -0.7931617888   2.3096621264
H    7.3400966429  -0.9060391605   1.1057322323
H    0.8306008748  -1.0837354197  -2.3064521080
H    4.9650170078  -0.7090560386  -1.3484701091
H   -1.6583284293   2.7682912058  -0.3096552291
H   -5.4460620243  -0.0160275746   1.1765939302
H    3.1764809229  -1.5671345275  -2.7531295430
H   -3.6606963538   3.8205768863   0.6490162110
H   -5.5655900408   2.4128949964   1.3811055619
*