! 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  -0.5368333559   2.9310905769   1.7512294596
Cl   1.2078255995   5.0022027640   0.1477440731
F    5.2509474490  -3.0755647509   0.3094406527
F   -3.8926287523  -2.8494775837   1.3634224047
F   -3.7174680448  -3.3996549973  -0.7415746938
O   -1.0212697176  -2.7213896214   0.5053006765
N    0.1626759280  -1.3123694234  -0.8194029507
N   -3.3981489453   0.9239221399  -0.6145007440
N   -4.2415188722  -0.0664938752  -0.3524113214
C    2.4423959924  -0.8524040918  -0.1380262126
C    1.4524547840  -1.7769346231  -0.4964235691
C   -2.1310353651  -0.8417333172  -0.3833386471
C    2.1472923489   0.5942686138  -0.0458249218
C   -3.4967665701  -1.1400470363  -0.1963446059
C   -0.9710810840  -1.7220091668  -0.1917396453
C   -2.1271815281   0.5128909216  -0.6531497506
C    3.7350815387  -1.3028951217   0.1138041897
C    1.7597365530  -3.1304065028  -0.5660184552
C    1.0979610947   1.0556930072   0.7453553537
C    2.9136567101   1.5197561662  -0.7486056710
C    4.0055872887  -2.6531213442   0.0468929284
C    3.0384154471  -3.5806444095  -0.2820093879
C   -4.1687002626  -2.4298213947   0.0988699838
C   -3.8772101482   2.2672350673  -0.8585242030
C    0.8029603790   2.4070728412   0.8038808771
C    2.6309497869   2.8731528637  -0.6777756054
C    1.5690048576   3.3226569126   0.0904186584
H    0.1141080377  -0.4777448992  -1.3841587839
H   -1.3233438136   1.2013361062  -0.8603887692
H    4.5156884145  -0.6051196481   0.3888064164
H    1.0058850133  -3.8417510966  -0.8697362155
H    0.5114161151   0.3663906796   1.3380117869
H    3.7309089631   1.1858750462  -1.3736226602
H   -5.2510338134  -2.3505031255  -0.0077787503
H    3.2773227278  -4.6341185086  -0.3354211411
H   -3.2139179994   2.9827397367  -0.3790411082
H   -3.9177831408   2.4744430817  -1.9258398419
H   -4.8705749669   2.3681228149  -0.4336167256
H    3.2304525903   3.5807008713  -1.2336132651
*
