! 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   5.0826572769   3.2686042017  -0.5209339045
O   -2.0728909614  -1.4671924089   1.3672974467
N   -0.6588053042  -2.7960804323  -0.8689672130
N   -0.3075115809  -3.4289470106   0.2577359935
N    1.3673600028  -3.5029096077  -1.2255461729
C   -1.9959617458  -0.9292178772   0.0674557820
C   -3.2744694091  -0.0940396382  -0.2633451871
C   -0.7890713575   0.0586429507  -0.1092406831
C   -2.7032630146   1.0704683512  -1.0773880970
C   -1.4235701532   1.4281065899  -0.3419029486
C   -4.0893092587   0.3222898767   0.9834980527
C   -1.9078329271  -2.0702474419  -0.9584494779
C    0.2460493427   0.0258418463   1.0167344130
C   -4.9264562997   1.5780718134   0.7537990847
C   -5.0222201577  -0.8115477026   1.4076764457
C    1.4589643195   0.8382374045   0.6626140657
C    0.3529636271  -2.8382639689  -1.7329603240
C    1.6099274205   2.1529098561   1.0934142743
C    2.4557341964   0.2940274098  -0.1447895941
C    2.7176543881   2.9082622489   0.7341233407
C    3.5702738781   1.0301501914  -0.5150931504
C    0.9121077528  -3.8314208018  -0.0047029374
C    3.6904105752   2.3374800793  -0.0698831658
H   -3.9501860486  -0.6861188472  -0.8931200712
H   -0.2679824378  -0.2041286576  -1.0382363464
H   -3.3949247923   1.9019806214  -1.2002727078
H   -2.4567394617   0.7270621026  -2.0871500508
H   -0.7745901643   2.1024772964  -0.9018080924
H   -1.6538443105   1.9170795596   0.6108321065
H   -3.4081797666   0.5385637326   1.8113495009
H   -1.9769980870  -1.6804846796  -1.9728750566
H   -2.7317830775  -2.7710113507  -0.8160756521
H    0.5654911068  -1.0001920140   1.2163717567
H   -0.1975894649   0.4030837863   1.9402690075
H   -1.4091177520  -2.1674597443   1.4498844405
H   -5.5724238358   1.7588095505   1.6153740650
H   -4.3185464990   2.4732876016   0.6206839965
H   -5.5734066626   1.4793559817  -0.1213487947
H   -5.5223306530  -0.5784147077   2.3499105028
H   -4.5002589588  -1.7577277474   1.5357700826
H   -5.8009308567  -0.9640405583   0.6554707027
H    0.3058385497  -2.3925618148  -2.7139513453
H    0.8547596051   2.6035036873   1.7257232061
H    2.3691810786  -0.7303368573  -0.4895167906
H    2.8176385825   3.9275863665   1.0816958067
H    4.3350398187   0.5858556764  -1.1375661353
H    1.4898090194  -4.3896525263   0.7150127517
*