! 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   5.5697692141  -0.0552500225   0.2436365077
O   -0.1724797981  -0.6686846094  -0.7484113011
O   -2.6976159649  -0.7075871055  -1.6124047893
N   -1.2629441095   1.2594915888   0.0270533878
N   -1.2967087777   2.0091899060   1.1357526924
N   -1.4053741173   3.2978347230  -0.6964311251
C   -3.3810163826  -1.5105466067   0.5505063800
C   -2.4731748904  -0.8132712201  -0.4329442852
C   -1.1645984745  -0.1827953620   0.0995868797
C   -2.6062361259  -2.6725738267   1.1880630284
C   -3.7994204253  -0.5056310499   1.6325976657
C   -4.6153906009  -2.0445022235  -0.1664028851
C    1.1457249059  -0.4806891039  -0.4395263321
C   -1.3281548993   2.0420935795  -1.0571154873
C    1.6072733862   0.2061195198   0.6746379896
C    2.0471277143  -1.0401584149  -1.3396857504
C   -1.3869967984   3.2175644184   0.6503918689
C    2.9753908976   0.3334607723   0.8816308243
C    3.4074847708  -0.9137667644  -1.1306416461
C    3.8656870268  -0.2228232681  -0.0177277848
H   -0.9791817777  -0.4271207384   1.1473954560
H   -2.2510555863  -3.3805929427   0.4379037919
H   -1.7495925305  -2.3427608013   1.7771505152
H   -3.2686997052  -3.2116664732   1.8667982523
H   -4.3400819468   0.3425421215   1.2099771958
H   -2.9582770853  -0.1192866596   2.2094456566
H   -4.4650235657  -1.0038292530   2.3387991199
H   -5.1926126885  -1.2476065934  -0.6369291539
H   -5.2679303566  -2.5406860903   0.5528489621
H   -4.3578981712  -2.7755839203  -0.9337155161
H   -1.3053184926   1.6715839912  -2.0694292503
H    0.9425947638   0.6563277285   1.3984993988
H    1.6805954919  -1.5773457159  -2.2049014203
H   -1.4367638045   4.0813806236   1.2943393647
H    3.3307132665   0.8728273225   1.7487319381
H    4.1014330026  -1.3528830248  -1.8340984260
*