! 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  -5.9136499235   1.6552172072  -2.1230905326
O    3.1524190052   1.5284937241  -0.1275945344
O    1.3514679193  -1.2143803382   2.3828234572
N    2.3178331326  -0.4975800788   0.4595592963
N    1.5087762379  -2.6919426276   0.6677251372
N    1.8479116983  -4.7792952506   0.0607923661
C    2.6304055778   0.8559206169   0.9987182921
C    2.6707829755  -0.5894650354  -0.9816358269
C    2.7046886089   0.9020575640  -1.3065913220
C    1.3999457871   1.5954147767   1.5431293611
C    3.7309185270   0.8015675159   2.0454423354
C    4.0521930754  -1.2015288234  -1.1867889715
C    1.6311884512  -1.2604275320  -1.8672799091
C    0.1481446788   1.5681490244   0.6760552168
C    1.7279588112  -1.4009158354   1.2422177977
C   -1.0570263155   2.1752788487   1.3972175573
C   -2.2971654599   2.0737051368   0.5567624597
C    0.2718311148  -3.2165281081   0.3853821517
C    2.4172912107  -3.6790662870   0.4676743357
C   -2.7078319577   3.1240443678  -0.2586339479
C   -3.0338648945   0.8913386141   0.5260416052
C    0.5095066486  -4.4972888381  -0.0045248486
C   -3.8179404579   3.0065059268  -1.0833970683
C   -4.1451044040   0.7523523541  -0.2911742456
C   -4.5265289060   1.8164353764  -1.0932599736
H    3.4045393521   1.1255175908  -2.1126862271
H    1.7139657908   1.2597023992  -1.6100066000
H    1.7143059744   2.6325695872   1.6925527839
H    1.1623470426   1.2108713733   2.5340393667
H    4.6152885124   0.2957854191   1.6573670386
H    3.4052954531   0.2861117635   2.9460691975
H    4.0162371828   1.8147621895   2.3317484336
H    4.8182688086  -0.6764650448  -0.6159508421
H    4.3227175575  -1.1409726398  -2.2414820651
H    4.0823300684  -2.2524407908  -0.9078419361
H    0.6168590230  -0.9531820053  -1.6105991801
H    1.8132388735  -0.9446780722  -2.8959701005
H    1.6858816097  -2.3465747374  -1.8601083679
H    0.3100859548   2.1163231601  -0.2547669136
H   -0.1060695848   0.5427596397   0.3909228340
H   -0.8521098469   3.2203743394   1.6411736535
H   -1.2098555921   1.6534089265   2.3456886132
H   -0.6348187697  -2.6403691382   0.4633519930
H    3.4662077755  -3.5490301590   0.6790965791
H   -2.1560128383   4.0561450856  -0.2547007638
H   -2.7404554698   0.0577719851   1.1532964616
H   -0.2137209051  -5.2288811563  -0.3267206847
H   -4.1219102646   3.8355461774  -1.7077744921
H   -4.7032306340  -0.1739727488  -0.2982010925
*