! 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   3.7528373333  -3.4837801784   1.3810270854
N   -3.3832190351   0.3442277511   0.3183025278
N   -3.7588241410   1.0944868850   1.3600215224
N   -4.5429178525  -0.9971283049   1.5752134206
N   -0.6131477796  -1.7867315004  -0.0530250043
C   -1.0208758169   0.7652119379  -0.4486911031
C   -0.6422781867   1.5701055251   0.8161143464
C   -2.5459739356   0.8554586471  -0.7358029480
C   -0.3114971532   1.2771967849  -1.6968171422
C    0.8557486197   1.7772660958   1.0437232403
C    1.6294256636   0.4944484760   1.1512953231
C   -0.7346199530  -0.6552130769  -0.2284070118
C    0.3783009737   0.4364933047  -2.5623770999
C   -0.3858672366   2.6360916887  -1.9978354202
C    1.4671463539  -0.3389531575   2.2557283962
C    2.4842658326   0.0835013633   0.1343112814
C    0.9913663733   0.9437101677  -3.7008303036
C    0.2240042308   3.1420441516  -3.1351076983
C   -3.8544043897  -0.8962932144   0.4659280089
C    0.9176205954   2.2968401207  -3.9912044449
C    2.1142276556  -1.5601115425   2.3361397125
C    3.1425261774  -1.1360955689   0.1952788881
C   -4.4464389005   0.2481377784   2.0799072854
C    2.9421271038  -1.9515748794   1.2950129888
H   -1.0780439510   1.0833533990   1.6897403885
H   -1.1199482412   2.5490104688   0.7483733134
H   -2.8138482097   1.8958019643  -0.9086542876
H   -2.7748822517   0.3003172359  -1.6441925029
H    0.9593700462   2.3515518150   1.9670992956
H    1.2735351679   2.3966949631   0.2488396810
H    0.4553317475  -0.6237553858  -2.3593802440
H   -0.9166512772   3.3167569217  -1.3436567196
H    0.8158294211  -0.0384239610   3.0679905031
H    2.6393003760   0.7196650966  -0.7280216113
H    1.5283800728   0.2734299254  -4.3586711328
H    0.1573566895   4.2001249382  -3.3503322650
H   -3.6921020792  -1.6769637759  -0.2600897441
H    1.3959906738   2.6917323522  -4.8775620036
H    1.9740121846  -2.1971840792   3.1988313849
H    3.8006524572  -1.4414182359  -0.6068701761
H   -4.9090327780   0.5441299984   3.0081446873
*