! 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   6.1238953313   0.6754072687  -0.2894748892
O   -2.2690561160  -0.7762006090  -1.3690929937
N   -2.8325176692   1.5968912480   0.2233982259
N   -2.3779269359   2.6037592214   0.9762390989
N   -2.9779342507   3.3582339946  -1.0471348554
C   -1.9727265116  -0.7842128559   0.0089798020
C   -2.2259103641  -2.1437947643   0.7508972833
C   -0.4600292658  -0.5619620186   0.1705822714
C   -0.9909791188  -2.3590810959   1.6523645376
C   -0.1809394901  -1.0657879860   1.5785200146
C   -2.5829982833  -3.3444155821  -0.1401884044
C   -2.8772700756   0.2389382404   0.7234083024
C    0.1036856959   0.8223968559  -0.1505560200
C   -1.4792184125  -3.8096032760  -1.0853594344
C   -3.0427528026  -4.5076331295   0.7356029122
C    1.6062240971   0.8050982987  -0.1910927274
C   -3.1873433472   2.0640740837  -0.9737621697
C    2.2850163062   0.3243381039  -1.3086763576
C    2.3588669591   1.2401832710   0.8959849655
C    3.6702647991   0.2792706324  -1.3487832215
C    3.7459047298   1.2029075875   0.8775516027
C   -2.4794033986   3.6303896383   0.1721510824
C    4.3904386405   0.7213056324  -0.2498021206
H   -3.0984421202  -2.0027211130   1.3985942441
H    0.0048294824  -1.2736432386  -0.5255772479
H   -0.3787897713  -3.1827804425   1.2799358569
H   -1.2713173182  -2.6194717757   2.6728737228
H   -0.5207607585  -0.3361351888   2.3202258630
H    0.8812268313  -1.2286870794   1.7633282883
H   -3.4449548191  -3.0560422485  -0.7536973717
H   -2.6478370637   0.2910295101   1.7859120340
H   -3.9089376292  -0.1136188776   0.6456624565
H   -0.2184156209   1.5470735065   0.5971885256
H   -0.2785120906   1.1653702877  -1.1160213741
H   -3.1800187690  -1.0616549526  -1.5024688422
H   -1.8408313442  -4.6326817887  -1.7049833149
H   -1.1448629030  -3.0211366943  -1.7568815624
H   -0.6069494399  -4.1820751975  -0.5453751343
H   -2.2297138748  -4.8900393401   1.3568308886
H   -3.4024532366  -5.3383178381   0.1258375189
H   -3.8560432532  -4.2124216776   1.4014762760
H   -3.6128403319   1.4512927530  -1.7502765504
H    1.7259883202  -0.0177713194  -2.1715766882
H    1.8579645997   1.6192039334   1.7785502480
H    4.1787014198  -0.0925906728  -2.2279389767
H    4.3116476931   1.5478359937   1.7323862299
H   -2.1883268119   4.6211296800   0.4840250553
*