! 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  -4.6765319922   1.4857720434  -2.7114388384
O    2.3986441839   1.5445520860   0.4999988119
O    1.8164884476  -2.2844227651  -1.6315408296
N    2.3078657476  -0.5986853197  -0.1920468203
N    1.0043446889  -2.4420439029   0.4756470557
N   -0.7310594127  -3.4220143320   1.4090275426
C    1.9778708762   0.2878086374   0.9741532073
C    3.1332021387   0.1404196824  -1.1798496663
C    3.5238043701   1.3390005785  -0.3217475514
C    0.4757341932   0.3728089661   1.2411735473
C    2.7741814410  -0.0785611963   2.2235305798
C    4.3674415818  -0.6279883749  -1.6236359670
C    2.3002773045   0.6129678923  -2.3714569566
C    0.0456931027   1.5862644828   2.0577662000
C    1.7444774059  -1.7604786218  -0.5372677089
C   -1.4534019560   1.5395799516   2.3745789450
C   -2.3025471271   1.5273787505   1.1347194214
C    1.4646531672  -3.0154779598   1.6352041254
C   -0.3203108155  -2.7307181949   0.3850350607
C   -2.8551820882   0.3457456413   0.6477145371
C   -2.5081189050   2.6975365811   0.4068467728
C    0.3769137011  -3.6120272780   2.1925236458
C   -3.5857309466   0.3212203613  -0.5320336358
C   -3.2365775781   2.6954788768  -0.7727312965
C   -3.7678636705   1.5010522493  -1.2344383658
H    4.4266841731   1.1385168318   0.2673733847
H    3.6983992955   2.2365275210  -0.9133624911
H    0.1541258794  -0.5192331206   1.7796411105
H   -0.0478622191   0.3770146749   0.2813732691
H    3.8197692357  -0.2862685484   1.9990396225
H    2.3622006077  -0.9467144595   2.7300480143
H    2.7418538552   0.7506954346   2.9297743141
H    4.1273752227  -1.4546022874  -2.2880277038
H    4.9217818194  -1.0177106030  -0.7697689222
H    5.0300214159   0.0470714673  -2.1672755842
H    1.9326826417  -0.2145347557  -2.9732003564
H    1.4453170584   1.2077780534  -2.0475431669
H    2.9162777661   1.2408511314  -3.0163345508
H    0.5902915082   1.6254072106   3.0039146579
H    0.2710573343   2.5111230324   1.5240735299
H   -1.7069725612   2.4062870205   2.9885812681
H   -1.6693247050   0.6540253512   2.9773220516
H    2.5006963032  -2.9916641222   1.9245894257
H   -0.9287262713  -2.3959564596  -0.4404393074
H   -2.7145117682  -0.5790180145   1.1947722680
H   -2.0940640335   3.6329410638   0.7641939389
H    0.3356576523  -4.1772574237   3.1095239978
H   -4.0052755235  -0.6075415392  -0.8945981565
H   -3.3878490732   3.6147331616  -1.3223501815
*