! 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  -3.0056796065   3.5134360502   0.3139038619
N   -0.7482329904  -2.4491628111  -0.6984318813
N   -0.7967217621  -3.4924245232   0.1366704504
N   -2.8485546962  -2.6376709602  -0.1728859509
N    1.7079384229  -2.0118488265   2.0389157085
C    1.1107302933  -0.8580712814  -0.2295938390
C    2.4508241048  -0.3860364150  -0.8364874501
C    0.5001832540  -1.9201878072  -1.1768142155
C    3.1611567608   0.6902933002  -0.0301563740
C    0.1132036555   0.2737699553  -0.0353678297
C    4.4877334770   1.0910811652  -0.6628600442
C    1.4194967322  -1.4993068657   1.0492276614
C   -0.1337525482   1.1431931745  -1.0960138313
C   -0.6260699292   0.4235436058   1.1307573322
C    5.1961534804   2.1852542511   0.1201429939
C   -1.0881025041   2.1403531618  -0.9961847543
C   -1.5858090139   1.4191443573   1.2474075346
C   -1.9748095599  -1.9450285106  -0.8587675948
C   -1.8097503670   2.2702950056   0.1807512612
C   -2.0710037139  -3.5667605673   0.4158472827
H    2.2576323025  -0.0267690967  -1.8497180848
H    3.0981351734  -1.2601388435  -0.9444895796
H    1.1946906496  -2.7454831888  -1.3202591097
H    0.3307286447  -1.4594861130  -2.1488045257
H    3.3424907506   0.3373379080   0.9899554518
H    2.5227425208   1.5737063916   0.0581878742
H    4.3128673141   1.4288874709  -1.6883618295
H    5.1350616165   0.2126121738  -0.7365008174
H    0.4140560168   1.0545435168  -2.0254826572
H   -0.4721583234  -0.2343894673   1.9761686719
H    6.1441684300   2.4584391018  -0.3443100788
H    5.4102558349   1.8671135984   1.1420594763
H    4.5860129485   3.0884317760   0.1783353488
H   -1.2633440456   2.8056635431  -1.8301707464
H   -2.1498951001   1.5192506377   2.1642600976
H   -2.1844433090  -1.0981000234  -1.4931376178
H   -2.4594448983  -4.3309554826   1.0702616136
*