! 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  -5.3851885728   1.0713394605  -0.3981421378
F   -0.1118882848  -1.0741898164   1.6419276712
F   -2.0199251623  -1.9683051676   2.0566089174
F   -0.7911957706  -2.7511793731   0.4797491002
O    2.0165640229   1.3350388589   0.9552634666
N    2.4674300980  -0.4929597381  -1.0853981137
N    0.2035550661  -0.6277074287  -1.2173683848
N    3.9898788230  -2.0227633590  -1.5412831746
C    1.2041924821   0.0494100099  -0.8428332719
C    1.1835271024   1.3913402388  -0.1644964727
C    2.2290970874   2.6031526394   1.5450128494
C   -1.0978866267  -0.1909622564  -0.9855288115
C    3.2517435809   2.4729212414   2.6519077930
C   -1.8400519554  -0.6792659981   0.0953293269
C   -1.7086942628   0.6828441240  -1.8799999455
C   -3.1593816441  -0.2876029791   0.2751949978
C    3.6817113117   0.1625611653  -1.1263301632
C    4.6160708773   2.0021535681   2.1700978009
C    2.7258830503  -1.8106219007  -1.3446746515
C   -1.1948318372  -1.6187517345   1.0669830677
C   -3.0234308988   1.0751669924  -1.7053197746
C   -3.7406636475   0.5861939587  -0.6264629562
C    4.5955755145  -0.7931885399  -1.4178900406
H    0.1540229644   1.6516812177   0.1044279719
H    1.5156582391   2.1497726331  -0.8897244591
H    1.2859580570   3.0007382496   1.9415717324
H    2.5857166120   3.3155873602   0.7875917755
H    3.3437997679   3.4567876031   3.1179594671
H    2.8706621468   1.8022183625   3.4268379675
H   -1.1461596980   1.0556293319  -2.7253833790
H   -3.7364945923  -0.6532024346   1.1123678052
H    3.7916378707   1.2217994969  -0.9777694443
H    5.0075160784   2.6604246078   1.3913978996
H    5.3375099420   1.9976939904   2.9877044842
H    4.5791305910   0.9920541635   1.7611936796
H    1.9483293600  -2.5562354788  -1.3501071437
H   -3.4782139840   1.7595914354  -2.4079551486
H    5.6583073697  -0.6673474846  -1.5459898670
*