! 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  -1.7373159878   0.8298249333  -3.0335799032
Cl  -2.9837702523   3.5892902130   1.3689595491
F    2.7666938055  -0.3816093094   1.5679706059
F    3.9672808080  -1.2950280155   0.0260469583
F    4.9470314479   1.0636486838   0.9119531231
F    3.0847381956   2.0797792430   0.3915668818
O    2.0689196656  -0.2694544944  -0.5529413529
N   -1.5231392821  -2.6986973655  -0.0974289847
N   -0.8361723287  -3.5792251718   0.6376945691
N   -2.6665432882  -2.8959832932   1.7418374300
C   -0.0757210800  -1.0156363952  -1.2320850631
C   -1.0293919435  -2.2117406276  -1.3636852310
C    1.2174801086  -1.4242308104  -0.5488542173
C   -0.7696371983   0.1557513221  -0.5822142087
C   -1.5618791448   1.0346076734  -1.3199537387
C   -0.7062112448   0.3778119832   0.7914370225
C    3.1250531305  -0.2583146175   0.2640850356
C   -2.2452833365   2.0914751867  -0.7390339279
C   -1.3801344802   1.4194837520   1.4053772105
C   -2.5991245106  -2.2953774727   0.5780515973
C   -2.1426915874   2.2735735873   0.6284456992
C    3.8927608157   1.0470352123   0.0653840404
C   -1.5606599763  -3.6611831232   1.7240878662
H    0.1848621153  -0.7500061624  -2.2594416626
H   -1.8887199650  -1.9330642470  -1.9713792772
H   -0.5333549870  -3.0359962690  -1.8741155598
H    1.0574348621  -1.7872403671   0.4667737683
H    1.6826254742  -2.2298097107  -1.1204252238
H   -0.1159671264  -0.2730995761   1.4217850941
H   -2.8449035816   2.7563165968  -1.3448135465
H   -1.3049799931   1.5578529037   2.4745143745
H   -3.3130413972  -1.5899334086   0.1813841069
H    4.2437771638   1.1640893282  -0.9599121586
H   -1.2828326109  -4.3154142262   2.5356655694
*
