! 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  -2.5405494577   3.6624474681   0.3654167489
N   -0.7602478324  -2.4175689903  -0.7511166246
N   -0.9186369777  -3.4481677505   0.0858558718
N   -2.8864896099  -2.4414331729  -0.3017113044
N    1.7052428730  -2.2463385680   2.0148853215
C    1.2343115225  -1.0052677456  -0.2370204934
C    2.6150040576  -0.6565723152  -0.8492868790
C    0.5422128913  -2.0053748254  -1.1998269380
C    3.6149362051   0.0527671741   0.0601471873
C    0.3192547166   0.1945595067  -0.0329061439
C    3.2906598436   1.4829801096   0.4819339527
C    1.4749660403  -1.6938970373   1.0314823843
C   -0.3355047418   0.4414620300   1.1674392275
C    0.0580075498   1.0327995033  -1.1142799842
C    3.2566903818   2.4724002076  -0.6725936341
C   -1.2135057543   1.5074821333   1.2992464417
C   -0.8169246353   2.0992792323  -1.0007207780
C   -1.9382810152  -1.8236812758  -0.9602110564
C   -1.4464695941   2.3305855795   0.2121377110
C   -2.2038314980  -3.4226843428   0.3200189249
H    2.4433708466  -0.0825617660  -1.7614389477
H    3.0661334441  -1.5974505961  -1.1728090100
H    1.1573610755  -2.8934573274  -1.3280583773
H    0.4403016784  -1.5352579338  -2.1767523874
H    4.5698800342   0.0578624771  -0.4731036797
H    3.7863210276  -0.5570180517   0.9512526546
H    4.0587120411   1.7989977511   1.1925023052
H    2.3481741190   1.5198442218   1.0327909124
H   -0.1720252153  -0.1894026785   2.0314077083
H    0.5297122453   0.8662079341  -2.0743224982
H    4.2105896970   2.4879480178  -1.2036379498
H    3.0618323087   3.4846763674  -0.3163931110
H    2.4805743959   2.2353034346  -1.4006813016
H   -1.7090060003   1.6835535678   2.2438886958
H   -1.0024673249   2.7385611652  -1.8527055471
H   -2.0604020614  -0.9687039860  -1.6064608692
H   -2.6731169201  -4.1501851222   0.9632720482
*