! 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  -6.4766379890   4.6670483726   0.6920483269
O    1.7654802250   0.8914251363   0.7761572623
O    1.0667897086  -3.1629754066   0.3793529500
N    2.2471824276  -1.2339430596   0.1971684403
N    3.2246380560  -3.3045401180  -0.3159227154
N    4.3880799453  -4.6995818948  -1.5585982879
C    1.1508592381  -0.3747363915   0.7353115578
C    3.3713822673  -0.3965036150  -0.2963211707
C    2.6584041907   0.9572187872  -0.3101163005
C   -0.0486533376  -0.3622747706  -0.2221403960
C    0.7729835124  -0.7422147488   2.1595670158
C    4.5342599343  -0.3541723615   0.6898984362
C    3.8515847023  -0.7343751913  -1.7004332458
C   -1.1314467549   0.6370255509   0.1678002150
C    2.0856927175  -2.5539610232   0.1170953513
C   -2.2614259681   0.6588103797  -0.8629550614
C   -3.3294853305   1.6498318520  -0.5008968299
C    4.3072025144  -3.6821716428   0.4403036048
C    3.3158269629  -3.9619373549  -1.4993309408
C   -4.4045503684   1.2822658787   0.3043361461
C   -3.2472673141   2.9746116624  -0.9224077847
C    5.0113324848  -4.5373382602  -0.3492707174
C   -5.3750907006   2.2005194707   0.6773005557
C   -4.2070063103   3.9086109931  -0.5612368884
C   -5.2664335424   3.5103127630   0.2382730434
H    3.3462405950   1.7879169833  -0.1577242325
H    2.1332399692   1.1196989734  -1.2592256325
H   -0.4806028947  -1.3619893848  -0.2656728071
H    0.2994852189  -0.1358873210  -1.2345866606
H    0.2041775689   0.0697782247   2.6115648823
H    1.6619437943  -0.9048158648   2.7690396074
H    0.1568442845  -1.6364552658   2.1981212763
H    4.2040118625  -0.0858380994   1.6935879831
H    5.2580816189   0.3932219353   0.3630064975
H    5.0597575344  -1.3050716900   0.7450643432
H    4.5455970914  -1.5722099180  -1.7252927084
H    3.0201059820  -0.9425780774  -2.3744521235
H    4.3877597426   0.1290142221  -2.0979799142
H   -1.5507949558   0.3841695721   1.1450939348
H   -0.7094845238   1.6408463992   0.2572124031
H   -2.6962176342  -0.3405256553  -0.9445414349
H   -1.8491662208   0.9035340403  -1.8451048184
H    4.4545607255  -3.3489089063   1.4534356574
H    2.5789627950  -3.8471585988  -2.2788832489
H   -4.4943312998   0.2582594979   0.6464649635
H   -2.4218253187   3.2889043070  -1.5497771446
H    5.9285012973  -5.0496134424  -0.1071042949
H   -6.2053882338   1.8940712952   1.2990102088
H   -4.1279462228   4.9317327154  -0.9029251514
*