! 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  -4.9625272950   1.6919408614  -0.1888715282
F   -1.3410396544  -3.1028534292  -0.5272729646
F   -0.6928171220  -2.3222180264   1.3700731608
F   -2.7617521595  -2.8031586077   1.0519793230
O    2.1655189935   1.7980102348   0.2995007360
N    2.6056377058  -1.0142654701  -0.4923409634
N    0.3652488237  -0.7621855587  -0.7727810094
N    4.7564697481  -1.5103995126  -0.5148016099
C    1.4089930892  -0.3733083718  -0.1735189016
C    1.4994575248   0.7038520463   0.8736710761
C    2.3849690003   2.8408816900   1.2331963364
C   -0.8680583088  -0.1534638853  -0.5751159191
C    3.1641235647   3.9560710910   0.5711449044
C   -1.9264220720  -0.8796514677  -0.0167238470
C   -1.1028932443   1.1489212124  -1.0086334729
C   -3.1835411345  -0.3076309927   0.1084101442
C    2.7544196256  -2.0777729433  -1.3609080509
C    3.3856999921   5.1110836187   1.5361304754
C    3.8564421549  -0.7207892672  -0.0184699485
C   -1.6826855471  -2.2760952914   0.4669319013
C   -2.3569562083   1.7214816414  -0.8921995543
C   -3.3898397748   0.9873184067  -0.3352303490
C    4.0770339143  -2.3637060608  -1.3546558567
H    2.0325471065   0.3142602663   1.7508608025
H    0.4935422761   0.9713956285   1.2131163440
H    2.9381483931   2.4574571069   2.1010775446
H    1.4240785260   3.2194958698   1.6068448348
H    4.1269092303   3.5726883639   0.2241173798
H    2.6223857096   4.3085815001  -0.3100484242
H   -0.2959655268   1.7164947568  -1.4528191638
H   -4.0031117003  -0.8587633202   0.5471446136
H    1.9231679602  -2.5230635599  -1.8770305301
H    2.4387486511   5.5353734163   1.8738056784
H    3.9387384715   4.7916818405   2.4209271614
H    3.9551744983   5.9119818863   1.0655780349
H    4.0530809252   0.0761986912   0.6786145023
H   -2.5199030584   2.7341073181  -1.2342989588
H    4.5844797334  -3.1396794851  -1.9042926132
*