! 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  -1.2177092944   0.1114463175  -2.9534657001
Cl  -2.2923399396   3.6983454941   0.8584380506
F    3.8390972072   0.2221608018  -1.1969272153
F    2.0209119972   1.2734465724  -0.7127804452
F    2.5157995376   0.8885329981   1.9857921230
F    4.0706940826   1.9511062211   0.8815130244
O    2.2392749037  -0.8634779573  -0.0843835602
N   -1.4281317675  -2.9439252191   0.7186505875
N   -2.3909311329  -3.2281427215  -0.1592586745
N   -3.2473065387  -3.0222701537   1.9048398765
C    0.0397663613  -1.6265038896  -0.7527001986
C   -0.0623724265  -2.7268282880   0.3022684362
C    1.4899484360  -1.4232979460  -1.1742385431
C   -0.5886230050  -0.3194890636  -0.3430809354
C   -1.1619430675   0.5437078187  -1.2743380546
C   -0.5548125767   0.1209420970   0.9770211000
C    2.8563175027   0.3073993482  -0.2616599379
C   -1.6902590992   1.7758280821  -0.9238545005
C   -1.0732528744   1.3446233375   1.3637289142
C   -1.9526186905  -2.8163200841   1.9357683857
C   -1.6393387353   2.1633534633   0.4032688811
C    3.4887308080   0.7436991255   1.0590800431
C   -3.4555830985  -3.2687241692   0.5996645413
H   -0.4657407398  -2.0038180920  -1.6440882774
H    0.3334453985  -3.6516077198  -0.1176783839
H    0.5184862011  -2.5135209039   1.1980246957
H    1.9486166321  -2.3797247733  -1.4278866550
H    1.5333624965  -0.7943705645  -2.0640742491
H   -0.1041109874  -0.4945505470   1.7426501331
H   -2.1300811782   2.4183496166  -1.6735591127
H   -1.0291577860   1.6497388435   2.3995719034
H   -1.3614305302  -2.5894362968   2.8088390538
H    4.2302568477   0.0288245595   1.4146238040
H   -4.4299219095  -3.4835430624   0.1899143490
*