! 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  -1.4964650737  -0.0840254114   2.3640577426
F    5.6040335801  -0.8338657199   0.5078206959
O    0.2338178123   2.1998677309  -0.9707122539
N   -0.4907833819  -1.3951754250  -1.3513552401
N    0.4453234053  -2.3415309089  -1.4619640148
N   -1.3253372792  -3.1175327071  -0.3218611216
C    0.4224507744   0.8088121341  -0.7806043348
C   -0.3473135283   1.6153251007   0.1794373993
C   -0.2801221355  -0.0461166083  -1.8182508809
C    1.8063225072   0.3861501848  -0.4210784255
C   -1.8294931669   1.5809041984   0.2586421560
C    2.8876002341   0.8233169657  -1.1778041953
C    2.0246561897  -0.4746846128   0.6476522205
C   -2.4598791787   0.8337908997   1.2498967810
C   -2.6291556954   2.2876954431  -0.6333092370
C    4.1764824461   0.4150522104  -0.8701385270
C    3.3062037948  -0.8939180170   0.9696164329
C   -1.5316259808  -1.8709001228  -0.6649678183
C   -3.8389296668   0.7742956452   1.3561032438
C   -4.0120521625   2.2391011437  -0.5408469413
C    4.3591211016  -0.4374621811   0.2013750919
C   -4.6165334048   1.4832715611   0.4523006122
C   -0.1006003144  -3.3479721291  -0.8315969964
H    0.1569070167   1.8710411687   1.1102301135
H    0.3165655644  -0.0885343012  -2.7288860632
H   -1.2474869421   0.3773085057  -2.0851163927
H    2.7360926597   1.4904785322  -2.0167336371
H    1.1912941570  -0.8252042072   1.2436504770
H   -2.1656450548   2.8811814356  -1.4097232533
H    5.0218031464   0.7572875951  -1.4520240726
H    3.4805009340  -1.5606504857   1.8033686987
H   -2.4238609522  -1.2954405908  -0.4760224778
H   -4.3017598554   0.1779863363   2.1302784061
H   -4.6157043671   2.7935404736  -1.2460306380
H   -5.6942324265   1.4395528539   0.5292177522
H    0.4034765961  -4.2973589709  -0.7438115830
*