! 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  -1.1945617725   0.7756911028  -2.7640111009
Cl  -4.7998706857   3.0743611690   0.4391734765
F    3.9826896289   1.2658831385   0.4740703170
F    3.3551740835  -0.4347766718   1.6457781736
F    5.8363776328  -0.6912691972   0.6032596368
F    5.0587239872  -0.4207516612  -1.4195748666
O    2.5328305336  -0.1804139702  -0.4143471247
N   -0.9929977190  -2.2700326781   0.7974237253
N   -1.4505570835  -2.8497174003  -0.3128381894
N   -2.8694046146  -3.1892362171   1.3925103777
C    0.1354818472  -0.3340772581  -0.2138921480
C    0.2155885342  -1.4801811549   0.7961041814
C    1.3496600321   0.5802693680  -0.1123045735
C   -1.1024737279   0.5151191804  -0.0584577173
C   -1.7738887476   1.0536048316  -1.1547125831
C   -1.6041017028   0.8322480705   1.2015521320
C    3.6020835777  -0.0303852175   0.3718830153
C   -2.9070283294   1.8406252040  -1.0181865894
C   -2.7329019564   1.6144378520   1.3741022041
C   -1.8497427367  -2.4702786057   1.7966257632
C   -3.3805176915   2.1064585126   0.2542798402
C    4.7518364729  -0.8699675442  -0.1826612523
C   -2.5707181991  -3.3872737184   0.0967589356
H    0.1301942085  -0.7819286783  -1.2091260532
H    1.0546221368  -2.1288441393   0.5497130738
H    0.3720416031  -1.1270181233   1.8148217185
H    1.2751285883   1.3866892437  -0.8427430010
H    1.3997786664   1.0328064884   0.8805777950
H   -1.1032120483   0.4688049918   2.0891527427
H   -3.4080110416   2.2363301725  -1.8904509197
H   -3.0953321979   1.8324087700   2.3685262584
H   -1.6869876806  -2.0932973001   2.7940399551
H    4.5032556837  -1.9301541942  -0.2287064475
H   -3.2005240436  -3.9520333262  -0.5724133277
*
