! 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  -7.5342447950  -1.2463520966  -1.3260940944
F    3.4267986353  -1.5191729571  -0.9263288216
F    3.3628032544  -1.7119231576   1.2315421749
F    2.4013259661  -3.1457761291  -0.0187360770
O    3.6183163700   0.8340373324   0.3330999721
O   -2.0906070332  -2.0578825176   0.6767319367
N    3.2397739625   3.5451562055   0.5291385445
N    4.0880198951   3.4824030751   1.5590144490
N    4.7941690678   4.9898366519   0.0557766993
C    2.4252765348   1.3189567929  -0.2257331610
C    1.2507453494   0.3528388449  -0.0208653950
C    2.0894557449   2.6807444481   0.4406611126
C    2.6677262247   1.5151269003  -1.7194300533
C    1.3541669706  -1.0416602361   0.1473936983
C   -0.0380908409   0.8854945050  -0.0301318959
C    0.2093983905  -1.8054368299   0.3561512201
C   -1.1802560331   0.1321204942   0.1734341386
C   -1.0471069981  -1.2268445918   0.3864367103
C    2.6439870787  -1.8307882490   0.1085282717
C    3.6767317448   4.4415812954  -0.3555956759
C    4.9962973988   4.3626535804   1.2289754302
C   -3.3437358360  -1.8037906447   0.1801602940
C   -4.4129584584  -1.9626935772   1.0481307480
C   -3.5561070635  -1.4732820754  -1.1515809320
C   -5.7084141280  -1.7973633307   0.5839366263
C   -4.8503869647  -1.2949791362  -1.6132741766
C   -5.9172267818  -1.4592143611  -0.7432375785
H    1.3260570872   3.2219085040  -0.1130578395
H    1.7143802415   2.5315450432   1.4535138209
H    1.7877428109   1.9458430698  -2.1962521317
H    3.5117515367   2.1836830933  -1.8994294332
H    2.8839174592   0.5712125108  -2.2159824498
H   -0.1856852732   1.9429703793  -0.1924724923
H    0.2711464251  -2.8739676489   0.5039554668
H    3.5639249918   0.8728019571   1.2947905342
H   -2.1452922106   0.6209361671   0.1760172838
H    3.1455760947   4.6792619599  -1.2638610646
H    5.8400259512   4.5680584566   1.8686736359
H   -4.2384336159  -2.2237622120   2.0835827402
H   -2.7280810923  -1.3602045610  -1.8394614981
H   -6.5420534788  -1.9265739254   1.2602936669
H   -5.0179198556  -1.0397705364  -2.6504237744
*