! 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  -5.0871987426  -2.2434466608  -0.3265784703
O    1.6032477170  -1.5253599521  -0.5301929750
N    1.8347165620  -0.1624087593  -0.8901568040
N    0.5638935269   3.7375243428  -0.6457649316
C    2.1688197052   0.4880948152   0.3905475753
C    1.0840166399  -0.1289116343   1.2912135881
C    0.8060144291  -1.4966679775   0.6382679223
C    1.9604239938   1.9801736195   0.2240081377
C    3.5582909929   0.1373421821   0.9212491806
C   -0.6587392815  -1.7075676790   0.3531759063
C    2.8756201794  -0.1655194150  -1.8902032894
C    2.8096238848   2.9323572825   0.7697589685
C    0.8488200570   2.4547813389  -0.4738179164
C   -1.2579098991  -1.2410443015  -0.8133061093
C   -1.4503885206  -2.3467438147   1.3007590868
C    2.5202052670   4.2797506736   0.6030201094
C   -2.6178130601  -1.4048999007  -1.0275170113
C   -2.8135340305  -2.5138793954   1.1048214061
C    1.3911864829   4.6322733497  -0.1112905139
C   -3.3859690272  -2.0391880050  -0.0634643913
H    1.4234545917  -0.2265499221   2.3213352768
H    0.1843735768   0.4859657800   1.3032967869
H    1.1615348552  -2.3101564037   1.2754762446
H    4.3592637583   0.5669599580   0.3186213390
H    3.7016730414  -0.9432833967   0.9469969720
H    3.6821265844   0.4977863005   1.9421221413
H    3.7870287465  -0.6950992686  -1.5939801121
H    3.1335124993   0.8687797904  -2.1168760548
H    2.4992638539  -0.6141595926  -2.8092112861
H    3.6915390068   2.6452587915   1.3258849335
H    0.1535807445   1.7522510115  -0.9172349120
H   -0.6719200521  -0.7327826607  -1.5666755948
H   -1.0026816517  -2.7252262803   2.2118963080
H    3.1628937307   5.0417475539   1.0213510676
H   -3.0709647265  -1.0385697507  -1.9385550439
H   -3.4145543208  -3.0137927029   1.8519709796
H    1.1398286410   5.6753543520  -0.2613420020
*