! 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  -1.5054253234  -0.4723173736   2.2946469390
F    5.6112345540  -0.8641941232   0.3645612265
O    0.2041410923   2.3198407446  -0.6388196702
N   -0.4471184952  -1.1905495673  -1.5387908007
N   -1.5385388370  -1.6254704374  -0.9033800800
N   -0.0680414045  -3.2985673409  -1.1734164907
C    0.4157249566   0.9194507291  -0.6557952643
C   -0.3749511146   1.5573334606   0.4048991737
C   -0.2529965996   0.2101343093  -1.8192671153
C    1.8045820087   0.4660023970  -0.3558243856
C   -1.8557836684   1.4866068311   0.4657416764
C    2.0324302869  -0.5385720985   0.5779796724
C    2.8814706194   1.0111813521  -1.0476538038
C   -2.4765907805   0.5824601433   1.3211351205
C   -2.6611821147   2.3192752200  -0.3027880183
C    3.3174320384  -0.9967669418   0.8280098486
C    4.1726938966   0.5678375484  -0.8078378336
C    0.4205029399  -2.1941409316  -1.6821562371
C   -3.8539311244   0.4920622125   1.4122431177
C   -4.0439944823   2.2422611598  -0.2233041678
C    4.3639900930  -0.4310610651   0.1275796042
C   -4.6397334176   1.3284385853   0.6328076390
C   -1.2648800567  -2.8876203569  -0.7102643700
H    0.1197052527   1.6789521206   1.3676121705
H    0.3713942439   0.3021037091  -2.7082809924
H   -1.2214560498   0.6482168423  -2.0525830551
H    1.2043421432  -0.9701956595   1.1261589170
H    2.7232059225   1.7905147642  -1.7821144910
H   -2.2028336297   3.0365726362  -0.9702749160
H    3.4978861838  -1.7762055065   1.5559974329
H    5.0139865854   0.9931255787  -1.3385688099
H    1.3732576004  -2.0831704811  -2.1745015795
H   -4.3109372478  -0.2250204793   2.0803949335
H   -4.6537270727   2.8986450322  -0.8288954371
H   -5.7170810717   1.2619464613   0.7007353110
H   -1.9634105290  -3.5464390295  -0.2191589600
*