! 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   5.5164979820   2.7590880258  -1.2352136790
O   -2.3875877886   0.4493082131   1.9319112378
N   -0.9726158335  -2.6270643673   0.5825286115
N    0.3425787982  -2.6789720387   0.3473805011
N   -0.7248574218  -4.2430334526  -0.8547175351
C   -1.8549330290  -0.2877588592   0.8457856069
C   -2.8116966135  -0.3094028342  -0.3770580732
C   -0.5896383560   0.3948601607   0.2888800507
C   -2.3682362894   0.8948496184  -1.2532102996
C   -1.1545692970   1.5232482435  -0.5635922988
C   -4.3220001051  -0.2876932947  -0.0923522483
C   -1.5643894948  -1.6596904345   1.4763254657
C    0.4254042106   0.8335896040   1.3419554165
C   -5.0909618247  -0.4033811175  -1.4079386279
C   -4.8095468659  -1.3772448063   0.8571638352
C    1.6983252982   1.3258188183   0.7142847155
C   -1.5885600095  -3.5623248266  -0.1409054391
C    2.6267700434   0.4197044339   0.2044417718
C    1.9766767086   2.6841896307   0.6015719516
C    3.7999421131   0.8485264290  -0.3958035873
C    3.1454665054   3.1350865874   0.0030917650
C    0.4380661549  -3.6562133125  -0.5171282462
C    4.0489893454   2.2093858873  -0.4907423961
H   -2.6040640100  -1.2262626383  -0.9405325814
H   -0.1008772420  -0.3154419749  -0.3857849959
H   -3.1721002981   1.6231641276  -1.3716683906
H   -2.1072132612   0.5571228668  -2.2563109311
H   -0.4255850706   1.9184260666  -1.2710260828
H   -1.4558221444   2.3662933846   0.0677385599
H   -4.5719449159   0.6832446386   0.3517038180
H   -2.4780656859  -2.1017667763   1.8678831034
H   -0.8888856687  -1.5404216481   2.3233204184
H    0.6621950502  -0.0029030916   2.0048132080
H   -0.0023673605   1.6188872085   1.9684262161
H   -2.6349604511   1.3294043392   1.6284066611
H   -4.9039505365  -1.3686107346  -1.8857567593
H   -6.1660651823  -0.3261825824  -1.2364811525
H   -4.8215094952   0.3743473170  -2.1230792688
H   -5.8983920301  -1.3502137481   0.9325743851
H   -4.4205111177  -1.2619338713   1.8671157802
H   -4.5426809223  -2.3749195887   0.4979162862
H   -2.6541986085  -3.7261138044  -0.1056331887
H    2.4307772742  -0.6434579909   0.2796974433
H    1.2742876654   3.4117561970   0.9895952264
H    4.5104223197   0.1294975377  -0.7805627862
H    3.3449151091   4.1953950126  -0.0715533228
H    1.3921984630  -3.9645774411  -0.9150012010
*