! 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   5.8938197422  -0.0438064201  -0.2780476800
O   -2.5816453553   0.3255177913   1.7316369404
N   -2.1394350046  -1.7945095918  -0.2863826163
N   -1.2170553065  -2.0996657875  -1.2029014752
N   -0.9831862139  -3.4071083578   0.6048571758
C   -3.1707298813   1.8842303762  -0.1182465214
C   -2.4640067176   0.5848474748   0.3556449683
C   -2.4384870620   2.1682674384  -1.4370524038
C   -1.0164285515   0.8264452658  -0.0117550625
C   -0.9787165247   1.7584180800  -1.1916914915
C   -2.9902148868  -0.6393437647  -0.4356166582
C   -2.8929424804   3.0104306575   0.8794290350
C   -4.6771261620   1.7468803711  -0.3015905603
C   -0.0144749417   0.2414884143   0.6499183766
C    1.4197020828   0.2457774798   0.3769044263
C   -1.9772059688  -2.5699713387   0.7856237943
C    2.0581009491   0.9992764203  -0.6145415911
C    2.2206191219  -0.5961607027   1.1588021040
C   -0.5555306895  -3.0672658654  -0.6249933763
C    3.4264811474   0.9144257130  -0.8152527358
C    3.5877143670  -0.6936605238   0.9699729762
C    4.1841164936   0.0670123393  -0.0230345045
H   -2.5310411082   3.2146445019  -1.7303543607
H   -2.8701054632   1.5806691648  -2.2504046579
H   -0.3631922512   2.6330033211  -0.9676865629
H   -0.5349650190   1.2863040208  -2.0720429586
H   -3.0597678237  -0.4368976632  -1.5018197368
H   -3.9923284240  -0.9016439735  -0.0919566379
H   -1.8287479284   3.1414337069   1.0853986922
H   -3.2648297187   3.9547684826   0.4779830830
H   -3.3942785300   2.8443050944   1.8333793080
H   -4.9460992866   1.0306630249  -1.0791392940
H   -5.1743862298   1.4416060408   0.6227074127
H   -5.1083431424   2.7068250698  -0.5909320205
H   -3.5107431984   0.1764328045   1.9436846085
H   -0.2825606250  -0.3795328417   1.4987628369
H   -2.6102942926  -2.5126501514   1.6558243963
H    1.5028125900   1.6695744268  -1.2515192973
H    1.7605971411  -1.1960623390   1.9342666688
H    0.2692465581  -3.5577130353  -1.1177067686
H    3.8933933164   1.5083226771  -1.5891607738
H    4.1763642915  -1.3563880721   1.5893983839
*