! 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  -5.9373741364   1.6292173244  -1.9184669030
O    2.9056110336   1.6990369186   0.0314243434
O    1.8799236789  -1.6112554683   2.2863691985
N    2.3751982290  -0.4591571888   0.3944102828
N    1.6029651252  -2.6678359955   0.2942696080
N    0.3087035088  -4.0298491223  -0.8534094629
C    2.5964374769   0.8352772561   1.1000560975
C    2.8358116193  -0.3771754109  -1.0182465166
C    3.6072729134   0.9425270988  -0.9268439851
C    1.3398365809   1.3640264248   1.7862117238
C    3.7690902880   0.7658972531   2.0734078118
C    3.7810196124  -1.4968327911  -1.4289636418
C    1.6914348376  -0.2348688681  -2.0164844531
C    0.0880296594   1.3857345850   0.9228719581
C    1.9754024252  -1.5314021944   1.0772170256
C   -1.1270350271   1.9103382529   1.6894762626
C   -2.3614138413   1.8643945736   0.8360494108
C    2.2115369994  -3.8981236217   0.3294206263
C    0.4544387938  -2.8118530814  -0.4161672330
C   -3.0736097727   0.6761281188   0.6863941739
C   -2.7857709830   2.9791186859   0.1190665667
C    1.4081477352  -4.7137660070  -0.4036908261
C   -4.1728393976   0.5933482320  -0.1543621280
C   -3.8843945678   2.9183466984  -0.7267889428
C   -4.5675501136   1.7206086767  -0.8579718420
H    4.6478914232   0.7707503979  -0.6240988324
H    3.6151958300   1.4831577773  -1.8729205461
H    1.5720869956   2.3782127696   2.1253108843
H    1.1553636914   0.7839042777   2.6910040201
H    4.6770921213   0.3971121364   1.5946678957
H    3.5553241027   0.1230745182   2.9227746794
H    3.9723924668   1.7666869214   2.4563518102
H    4.3235425130  -1.1821687528  -2.3221135218
H    3.2649161893  -2.4207248732  -1.6829995815
H    4.5188410463  -1.7083590758  -0.6541832940
H    2.1034535335   0.0134756883  -2.9953468266
H    1.1269715536  -1.1567667418  -2.1388065572
H    0.9999976653   0.5589848878  -1.7354989256
H    0.2445855766   2.0034115447   0.0355797362
H   -0.1434870385   0.3792597935   0.5626462041
H   -0.9388710707   2.9336939711   2.0227482151
H   -1.2743795051   1.3069345457   2.5890091646
H    3.1475985150  -4.0648588872   0.8351164535
H   -0.2520974398  -2.0068239797  -0.5444105080
H   -2.7678879923  -0.2069726006   1.2349199479
H   -2.2518300960   3.9165306810   0.2166144183
H    1.5634650504  -5.7556801630  -0.6324567549
H   -4.7119361525  -0.3386673184  -0.2564665032
H   -4.1984184991   3.7959451924  -1.2752173048
*