! 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  -4.6389849212   1.9642817197  -0.2417458259
F   -1.2663847631  -3.0385193939  -0.1890802525
F   -0.4599068655  -2.0342670037   1.5343819200
F   -2.5633175271  -2.4538346885   1.4176499892
O    2.4173221144   1.6048009245   0.1917747940
N    2.7354079024  -1.1934746537  -0.6155811634
N    0.5050347111  -0.8421936593  -0.9112344884
N    4.0788692763  -2.6096528799  -1.6448341733
C    1.5595540100  -0.5148261060  -0.2938222132
C    1.6810416522   0.5515298067   0.7600693803
C    2.4906571216   2.7524257175   1.0241266349
C   -0.6902464671  -0.1594762113  -0.6995227124
C    1.2421378065   3.6163476469   0.9702333292
C   -1.7278914233  -0.7399675799   0.0373386961
C   -0.8965844632   1.0873087374  -1.2835760401
C   -2.9415394284  -0.0826332554   0.1801873889
C    3.9852689915  -1.0363074803  -0.0459977854
C    1.3893388388   4.8359529861   1.8678258587
C    2.8651238334  -2.1594140477  -1.5756944526
C   -1.5084185328  -2.0665348079   0.6965866447
C   -2.1059443360   1.7446736340  -1.1468938612
C   -3.1221864632   1.1530772065  -0.4159940495
C    4.7873496558  -1.9151308145  -0.6909152298
H    2.1728247163   0.1429422511   1.6524923296
H    0.6792547061   0.8609675746   1.0692268561
H    3.3500313027   3.3254057972   0.6697120048
H    2.7052295916   2.4564518353   2.0591228818
H    1.0646052152   3.9285992647  -0.0618050785
H    0.3635932091   3.0451954008   1.2822174214
H   -0.1036110616   1.5422715283  -1.8615000961
H   -3.7459249955  -0.5208130318   0.7536955648
H    4.1956022332  -0.3398830726   0.7458769178
H    1.5204844921   4.5476200123   2.9121101522
H    2.2512656372   5.4417724361   1.5821161524
H    0.5075772437   5.4737274997   1.8120697837
H    2.0359328656  -2.4796588598  -2.1834421284
H   -2.2461597825   2.7124397025  -1.6081612333
H    5.8379641676  -2.0880718033  -0.5240126879
*