! 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   5.4269980101  -3.1201168402   0.2670245238
O   -1.7038398278   1.3551912260  -1.5827574881
N   -1.1067441482   2.8698768579   0.8039150630
N   -0.1173604011   2.8262054353   1.7017558639
N    0.1833723850   4.5447371169   0.2919468350
C   -1.8186949534   0.7607821118  -0.3084253833
C   -2.8711884158  -0.3699025817  -0.2219400572
C   -0.5034065797   0.0335878808   0.0337752503
C   -2.3807389292  -1.2427357836   0.9501706220
C   -0.9103629157  -0.8602624809   1.2061772620
C   -4.3523652103   0.0161228844  -0.1081943548
C   -2.1294419563   1.8511562950   0.7348741194
C    0.0614599071  -0.7737568142  -1.1461568960
C   -5.2085934493  -1.2480044414  -0.0675004235
C   -4.8411515812   0.9083148793  -1.2477445301
C    1.3969942654  -1.3750654533  -0.8103771635
C   -0.9070015274   3.8891038129  -0.0297929688
C    2.5225857293  -0.5616020645  -0.6850035272
C    1.5511039124  -2.7410099644  -0.5958370355
C    3.7615477799  -1.0861519617  -0.3550820789
C    2.7842850013  -3.2882530703  -0.2665400112
C    0.6238624144   3.8462671099   1.3534213515
C    3.8807988791  -2.4521239048  -0.1473775875
H   -2.7689932816  -0.9429034999  -1.1520752048
H    0.2675892356   0.7457603852   0.3379462687
H   -2.4862071490  -2.3012218146   0.7135998934
H   -2.9844869438  -1.0672332886   1.8437195562
H   -0.8152726991  -0.3133488412   2.1454956884
H   -0.2631546427  -1.7326739101   1.3003307843
H   -4.5077450283   0.5495069916   0.8372369492
H   -2.2455104088   1.4376907587   1.7349636377
H   -3.0684818854   2.3505213002   0.4925671393
H    0.1783420680  -0.1223115857  -2.0132136381
H   -0.6293639044  -1.5674612631  -1.4416120782
H   -2.5692605981   1.6604732138  -1.8744368518
H   -6.2663845372  -0.9977503668   0.0284940647
H   -4.9518653291  -1.8967634464   0.7703347367
H   -5.0891232044  -1.8285457030  -0.9856463027
H   -5.9227351162   1.0406816542  -1.1908366783
H   -4.6216092751   0.4668686501  -2.2229131789
H   -4.4208858840   1.9166451185  -1.2275172786
H   -1.5817343562   4.1342038350  -0.8336343287
H    2.4381838701   0.5056643329  -0.8527113818
H    0.6964182692  -3.3995304131  -0.6910485559
H    4.6215891630  -0.4368974393  -0.2644603502
H    2.8814015786  -4.3531433664  -0.1049785558
H    1.5209779984   4.1004546923   1.8957640299
*