! 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   0.6349686834   0.1975053022   2.5742862595
Cl   3.9322964149   3.3158877876  -0.2373824285
N   -1.3548461081  -2.8158264603  -0.8374024963
N   -1.4137083218  -3.5369782917   0.2837047177
N   -3.0861857749  -4.1043471707  -1.1010720219
C   -0.7171855816  -0.5339026137  -0.1496077189
C   -1.9942872052   0.1672097355  -0.6219581193
C   -0.3779279680  -1.7626233227  -1.0021764437
C    0.4580004293   0.4122345455  -0.1378394114
C   -2.4133181947   1.3233868349   0.2765086760
C    1.1228856635   0.8012308845   1.0227532289
C    0.9168837440   0.9632993788  -1.3340554774
C   -3.7074503786   1.9729748175  -0.1870024468
C    2.1899088628   1.6889247265   1.0066697855
C    1.9776489175   1.8499142382  -1.3870476477
C   -2.3585488408  -3.1566988943  -1.6432734505
C    2.6072147932   2.2054561606  -0.2057917470
C   -2.4602883189  -4.2927420258   0.0740246104
H   -0.8887941021  -0.8926257815   0.8667450900
H   -1.8629558812   0.5232173887  -1.6495489738
H   -2.8099935725  -0.5616121924  -0.6559169527
H    0.5963910427  -2.1639996980  -0.7268912453
H   -0.3431960439  -1.5159292595  -2.0633083022
H   -2.5302818451   0.9595169273   1.3013016427
H   -1.6221018768   2.0773176764   0.3084267873
H    0.4271132891   0.7006652602  -2.2633260877
H   -3.9972013486   2.7942245404   0.4693877235
H   -4.5309346415   1.2566578792  -0.2002109257
H   -3.6082221798   2.3784976717  -1.1956024249
H    2.6804170295   1.9723196892   1.9272556579
H    2.3014232616   2.2565648677  -2.3346678227
H   -2.5148688182  -2.7022123598  -2.6088969527
H   -2.7848220799  -5.0174246648   0.8040672937
*