! 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   5.4312547359   2.8524491714  -1.2711835093
O   -2.4382102539   0.3940241139   1.8668508114
N   -0.9145146765  -2.7297627837   0.6324444266
N    0.4141637078  -2.7780295755   0.4977410720
N   -0.5571035845  -4.3301711190  -0.7982200784
C   -1.8328972672  -0.3856308087   0.8542956513
C   -2.7751058368  -0.4458635364  -0.3670845564
C   -0.5810124183   0.3128781771   0.2941413777
C   -2.3466995088   0.7233687650  -1.2887702948
C   -1.1749962380   1.4100292112  -0.5821230606
C   -4.2809161318  -0.5558934678  -0.0628744055
C   -1.5718351187  -1.7667576376   1.4844203584
C    0.4148510820   0.7973115041   1.3472339031
C   -4.9830581272   0.7672087399   0.2381107852
C   -4.9913049646  -1.2462432308  -1.2254210752
C    1.6745049251   1.3204888387   0.7191264397
C   -1.4736327979  -3.6567478780  -0.1457489677
C    2.6522019975   0.4393018353   0.2617814042
C    1.8840961063   2.6845858640   0.5435379531
C    3.8081801675   0.8989120398  -0.3495163386
C    3.0336640438   3.1655667576  -0.0676538580
C    0.5761174864  -3.7481594162  -0.3651152808
C    3.9879230862   2.2644368500  -0.5094058645
H   -2.5086337039  -1.3680747018  -0.8935129512
H   -0.0645539467  -0.3997357758  -0.3577926665
H   -3.1568373160   1.4227353111  -1.4940387971
H   -2.0261191930   0.3329841989  -2.2556717184
H   -0.4492303501   1.8297781576  -1.2794270480
H   -1.5311869673   2.2328123363   0.0437849506
H   -4.3982649418  -1.2006683873   0.8159053458
H   -2.5209071772  -2.2041040223   1.7979704040
H   -0.9627446559  -1.6622192998   2.3838635480
H    0.6706078079  -0.0224508493   2.0248211023
H   -0.0350093373   1.5858750762   1.9560191658
H   -1.8339161689   0.4581306594   2.6148813458
H   -4.4640400241   1.3634716866   0.9846894991
H   -5.0911286090   1.3789207495  -0.6597656070
H   -5.9921164939   0.5771673281   0.6096311553
H   -4.8662088209  -0.6850253854  -2.1549404504
H   -6.0636102915  -1.3322103328  -1.0393819577
H   -4.6060309719  -2.2537803450  -1.3953859654
H   -2.5389435306  -3.8195524025  -0.1934763411
H    2.5094645293  -0.6277967498   0.3854908296
H    1.1414906872   3.3926451955   0.8906940295
H    4.5578682340   0.1997574511  -0.6943066302
H    3.1791314923   4.2298908020  -0.1929488710
H    1.5577271879  -4.0511418467  -0.6937478997
*