! 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  -6.1481239707   0.8194739361   0.5044761581
O    2.8176825728   1.3427259414   0.8863268893
O   -0.0019912371  -1.6240678594   0.2949167515
N    2.0513736729  -0.6587270118   0.1882396903
N    1.7084083684  -2.8582209932  -0.5443398773
N    2.6500949863  -4.8455617269  -0.6384109476
C    1.6199271915   0.6042499094   0.8599429994
C    3.4087828100  -0.4942961676  -0.3997094778
C    3.5206695928   1.0281175185  -0.2918419767
C    0.5500687546   1.3307433649   0.0302834904
C    1.1935905949   0.3699171951   2.2977625782
C    4.4942988327  -1.1453628630   0.4516236063
C    3.5258267783  -0.9166100329  -1.8567139592
C    0.3083641550   2.7691590575   0.4706198884
C    1.1799758526  -1.6529223764   0.0124874359
C   -0.7957706776   3.4484886631  -0.3456380676
C   -2.1428798800   2.8105394426  -0.1556800748
C    1.3230373931  -3.4106223134  -1.7407316895
C    2.4918472702  -3.7729302281   0.0838574982
C   -2.6555713129   1.9075533352  -1.0830426101
C   -2.8990814693   3.0809890032   0.9831522315
C    1.9331918248  -4.6245850407  -1.7854764555
C   -3.8827012500   1.2889485882  -0.8895628522
C   -4.1282274902   2.4755733296   1.1951235038
C   -4.6099969655   1.5806291843   0.2522577535
H    4.5528895535   1.3607695875  -0.1920361756
H    3.0864017726   1.5222189793  -1.1696989863
H   -0.3785153039   0.7658204465   0.0940365863
H    0.8366784785   1.3254336887  -1.0262695015
H    0.2261816698  -0.1224790371   2.3534138716
H    1.1086621585   1.3214734023   2.8218106304
H    1.9262202395  -0.2387709245   2.8273680825
H    4.4566893073  -2.2316919556   0.4099670498
H    4.4276827120  -0.8402987745   1.4959729686
H    5.4738908168  -0.8476030293   0.0761051715
H    4.4118017812  -0.4430835120  -2.2830444037
H    3.6517764236  -1.9902846913  -1.9822396104
H    2.6657761864  -0.5924139337  -2.4438355774
H    0.0378007237   2.8090096217   1.5292122712
H    1.2222011471   3.3556025584   0.3603267637
H   -0.5257946382   3.4344031231  -1.4044744965
H   -0.8466089743   4.4988694836  -0.0508083912
H    0.6936138951  -2.8891366625  -2.4421214670
H    2.8731572356  -3.6198451928   1.0807408984
H   -2.0910539797   1.6783536836  -1.9786715038
H   -2.5284897943   3.7817458986   1.7218959711
H    1.8964518652  -5.3497536227  -2.5822444818
H   -4.2621285027   0.5906845862  -1.6230869227
H   -4.7026118048   2.7029198850   2.0828966946
*