! 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  -5.2233746681  -0.6832535615  -0.6779872814
O    3.3513254791   1.1590039743   1.2168559918
O    1.9745370856  -1.9429674013  -1.7060300435
N    2.3438718070  -0.2886340572  -0.2022561919
N    0.5402379537  -1.7901161569   0.0459235649
N   -0.7277805930  -3.2106217332   1.1502915765
C    2.1978792763   0.3481740433   1.1427584363
C    3.5514693504   0.2112492691  -0.9019039246
C    3.8220090099   1.4627093490  -0.0762049219
C    0.9275055593   1.1922204741   1.2838160390
C    2.2998012703  -0.6427420344   2.2946702483
C    4.7072634515  -0.7780511500  -0.7714699541
C    3.3059615354   0.6009147773  -2.3526350861
C    0.7085672124   2.2875442597   0.2497016575
C    1.6862707315  -1.3416918327  -0.6908690115
C   -0.6205626192   3.0271290276   0.4476813662
C   -1.8148321249   2.1578241045   0.1797711736
C   -0.7522321137  -1.3461783317  -0.0986422786
C    0.4903135197  -2.9274567192   0.7857935936
C   -2.5171394319   1.5489732477   1.2153259966
C   -2.2114049027   1.8905068197  -1.1296885206
C   -1.5127685505  -2.2324771372   0.5985673458
C   -3.5712371285   0.6829997506   0.9622984764
C   -3.2633061208   1.0298508745  -1.4045839749
C   -3.9293945059   0.4247766556  -0.3498671592
H    4.8865461741   1.6902700101  -0.0163246517
H    3.3144597692   2.3340535766  -0.5020205412
H    0.9690725108   1.6452681579   2.2791574778
H    0.0679674540   0.5207327269   1.3087195166
H    3.0962594163  -1.3691014252   2.1306384345
H    1.3687470580  -1.1747177990   2.4725974104
H    2.5274471024  -0.0928188606   3.2079926592
H    5.5993667213  -0.3589393412  -1.2382610421
H    4.4921823939  -1.7246535938  -1.2635301998
H    4.9438550087  -0.9804926666   0.2739934947
H    2.3861629940   1.1778033140  -2.4588150830
H    4.1302293845   1.2332950377  -2.6871764882
H    3.2590615063  -0.2552351992  -3.0198381006
H    1.5068008015   3.0285950490   0.3137032817
H    0.7390697445   1.8761551331  -0.7643222033
H   -0.6383332928   3.8885910776  -0.2231813092
H   -0.6669898383   3.4219521233   1.4654661252
H   -1.0025399266  -0.4750140128  -0.6806875363
H    1.3762321040  -3.4935336504   1.0288987072
H   -2.2368396901   1.7435506783   2.2433733243
H   -1.6885577634   2.3568067928  -1.9562741000
H   -2.5827589131  -2.2206278735   0.7295480178
H   -4.0968362170   0.2111319188   1.7812292120
H   -3.5522554779   0.8314461025  -2.4277414422
*