! 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  -4.7777822211   1.7819660904   0.5685588033
F   -2.4585518672  -2.1804811484  -1.7793966797
F   -0.3822673004  -1.6309910464  -1.7746175720
F   -1.1450169454  -2.9788260353  -0.2822020444
O    2.3972896483   1.6232940240  -0.0198675802
N    2.6818490826  -1.2123464963   0.5307264366
N    0.4616672215  -0.9021346304   0.9254395374
N    4.0392653353  -2.7569572803   1.3334890643
C    1.4973323881  -0.5100799002   0.3142104827
C    1.5856739597   0.6560171378  -0.6338506717
C    2.6379554072   2.7604329274  -0.8318136734
C   -0.7548313730  -0.2391994505   0.7885594263
C    1.4824984921   3.7469673567  -0.8505934940
C   -1.7381517378  -0.7075494386  -0.0900534720
C   -1.0382035052   0.8646508975   1.5874229904
C   -2.9753491692  -0.0822709579  -0.1580747548
C    3.9199832995  -0.9867109141  -0.0423632779
C    1.8278217197   4.9689078361  -1.6884818052
C    2.8275109215  -2.2984132119   1.3522170996
C   -1.4366325442  -1.8757395604  -0.9772395131
C   -2.2696535466   1.4909035165   1.5227274718
C   -3.2323440746   1.0099269524   0.6512455928
C    4.7308024961  -1.9439357784   0.4642935306
H    0.5789879614   1.0281993793  -0.8418927581
H    2.0042022709   0.3207859463  -1.5922583198
H    2.8875031354   2.4489556113  -1.8549930228
H    3.5263238311   3.2418525922  -0.4174399801
H    0.5804423037   3.2760851510  -1.2511625155
H    1.2531820707   4.0500053892   0.1740807429
H   -0.2866159294   1.2297011247   2.2741430468
H   -3.7381466316  -0.4341944054  -0.8381164403
H    4.1190240454  -0.1931537249  -0.7399691286
H    1.0099480774   5.6889884276  -1.6890946922
H    2.7136047858   5.4780561166  -1.3046671150
H    2.0269309449   4.6984974044  -2.7268380368
H    2.0087268707  -2.6972673445   1.9267386200
H   -2.4710328405   2.3490606457   2.1488710490
H    5.7766872254  -2.0960463763   0.2532046077
*