! 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   6.1663890278   0.7943578357  -0.2568402593
O   -2.3118128793  -0.8269106590  -1.3617692085
N   -2.7765043900   1.5636454822   0.2603877100
N   -2.9592187888   1.8365652070  -1.0362477455
N   -2.5970808796   3.7256953176   0.1048677634
C   -1.9136929491  -0.8002013623  -0.0089031811
C   -2.1623957226  -2.1867349244   0.6891302529
C   -0.3887378382  -0.5789640715   0.1394121961
C   -0.8182332970  -2.5972225116   1.3096927386
C   -0.0373880769  -1.2963973640   1.4353176719
C   -2.8486526908  -3.2647467745  -0.1608622378
C   -2.7877961454   0.2040101922   0.7668983532
C    0.1502862570   0.8489340856   0.0288503787
C   -1.9768195525  -3.8680774248  -1.2597276161
C   -3.3707578098  -4.3798495154   0.7429823401
C    1.6516401758   0.8634385976  -0.0436649210
C   -2.5610731323   2.6970387645   0.9217731126
C    2.3077989765   0.5868481751  -1.2408993339
C    2.4251557966   1.1179917304   1.0849377265
C    3.6920014848   0.5634658173  -1.3172145964
C    3.8116649151   1.0986910442   1.0310121972
C   -2.8355876269   3.1403950121  -1.0796539223
C    4.4337664995   0.8199822847  -0.1745464061
H   -2.8473761588  -1.9941744606   1.5233197879
H    0.0557624826  -1.1613393927  -0.6785293354
H   -0.2709251441  -3.2727417469   0.6480667417
H   -0.9457166331  -3.1160994854   2.2601115165
H   -0.3718798984  -0.7149827617   2.3015662029
H    1.0349377776  -1.4560123506   1.5530364901
H   -3.7175115959  -2.8002433144  -0.6369691687
H   -2.4809349970   0.2568431284   1.8105523339
H   -3.8194919058  -0.1544549693   0.7549225678
H   -0.1621163577   1.4413319663   0.8913564784
H   -0.2516123192   1.3351620334  -0.8640962831
H   -2.4731444647   0.0841938890  -1.6543095708
H   -2.5813113870  -4.5010862646  -1.9123525313
H   -1.5022314156  -3.1145269018  -1.8858777338
H   -1.1887539640  -4.5024632428  -0.8493350581
H   -4.0526836897  -3.9974652032   1.5051316849
H   -2.5560300384  -4.8951890303   1.2568019599
H   -3.9136644963  -5.1304494580   0.1652339852
H   -2.3884161616   2.7296857865   1.9858178411
H    1.7319547374   0.3887136554  -2.1370839113
H    1.9422957285   1.3385004224   2.0292017603
H    4.1825389212   0.3509723890  -2.2573501878
H    4.3937665688   1.3013481052   1.9196865001
H   -2.9281583155   3.6855508758  -2.0054651056
*