! 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   5.4059924111   2.6804613428  -1.5067440203
O   -2.4016493335   0.4988179462   1.9663042996
N   -0.9181249145  -2.6105154070   0.6215159411
N   -1.4895972872  -3.2018248703  -0.4308612838
N    0.6925897154  -3.7157722448  -0.3391468285
C   -1.8788815621  -0.2972184663   0.9201969446
C   -2.8704318816  -0.2157130758  -0.2597443395
C   -0.5985358486   0.3264303674   0.3289931235
C   -2.4544567464   1.0607885160  -1.0335950291
C   -1.1203009876   1.5307558148  -0.4446026659
C   -4.3740345497  -0.2197296140   0.0551937658
C   -1.6333873623  -1.7075843645   1.4958110784
C    0.5015503986   0.6534419461   1.3390271561
C   -5.1580026282  -0.2580735118  -1.2568365448
C   -4.8466221176  -1.3651023405   0.9439089101
C    1.7415082682   1.1609974433   0.6591276432
C    0.3772044639  -2.9231222199   0.6567793149
C    2.6132152835   0.2807881976   0.0215621152
C    2.0312545611   2.5209754438   0.6113935046
C    3.7403104588   0.7362069715  -0.6444078355
C    3.1531650417   2.9982083843  -0.0513555025
C   -0.4873542278  -3.8469691889  -0.9710196931
C    3.9994983929   2.0976421660  -0.6758194795
H   -2.6710653060  -1.0840025851  -0.8937771719
H   -0.1957322016  -0.3848933432  -0.4025604083
H   -3.2137194010   1.8393189643  -0.9431634363
H   -2.3584203090   0.8469490540  -2.0979014917
H   -0.4178906641   1.8635303717  -1.2087904581
H   -1.2697845750   2.3740374847   0.2336291229
H   -4.6191771075   0.7208083671   0.5595616196
H   -2.5668361475  -2.1826492321   1.7846195000
H   -1.0329634144  -1.6243227178   2.4041906607
H    0.7548254026  -0.2297071919   1.9327694024
H    0.1491770021   1.4104277431   2.0449572805
H   -1.7553995361   0.5562818463   2.6792144818
H   -4.9004210187   0.5645227102  -1.9249303213
H   -4.9704265406  -1.1904141285  -1.7954097544
H   -6.2316135236  -0.1985035089  -1.0707121747
H   -4.5623661783  -2.3370077604   0.5344936843
H   -5.9353529399  -1.3547744156   1.0214183497
H   -4.4587549866  -1.2962537275   1.9588859034
H    1.0417828203  -2.5813355903   1.4345512031
H    2.4181103214  -0.7853413217   0.0413035103
H    1.3731522280   3.2288542486   1.0998355952
H    4.4060769035   0.0354959284  -1.1291464589
H    3.3599528376   4.0593907972  -0.0759030655
H   -0.6176588158  -4.4468594082  -1.8580953605
*