! 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  -5.8577513651  -1.1444757584  -0.5358621602
O    0.0643279308   1.8211715148   0.2838350014
N    1.4636292302   1.6566160075   0.0584689224
N    5.1080474449   0.0867235581   1.1610721158
C    1.6034500123   0.2204438952  -0.2430857869
C    0.7317521774  -0.3546733837   0.8821022317
C   -0.3596504732   0.7183055016   1.0615428475
C    3.0557357714  -0.1772009942  -0.0696198321
C    1.0533332321  -0.1837038473  -1.6119959363
C   -1.7353605477   0.2841074817   0.6261151043
C    1.8163575782   2.5618583926  -1.0094768505
C    3.6572559159  -1.1618681438  -0.8429612925
C    3.8428892232   0.4070800355   0.9226663738
C   -2.3676218254  -0.7304982218   1.3412163713
C   -2.4047239596   0.8540251028  -0.4497297421
C    4.9768837152  -1.5123066706  -0.5995655276
C   -3.6294691607  -1.1792656830   0.9909531544
C   -3.6730541570   0.4179972912  -0.8118491668
C    5.6603528071  -0.8606307828   0.4092950735
C   -4.2746783907  -0.5964795471  -0.0896140750
H    0.3333676334  -1.3367544764   0.6309435106
H    1.3076994114  -0.4571002498   1.8014339533
H   -0.4092480723   1.0060644205   2.1188587644
H    0.0508473300   0.2126486556  -1.7690812949
H    0.9766076892  -1.2672743295  -1.6929781642
H    1.6819187842   0.1665019525  -2.4314150024
H    2.8632784110   2.3990404682  -1.2626019726
H    1.7225683672   3.5910150701  -0.6647623019
H    1.2158628121   2.4447479816  -1.9167909265
H    3.1149695243  -1.6652391721  -1.6311029613
H    3.4248331147   1.1782935102   1.5562081676
H   -1.8710865453  -1.1848581150   2.1901955530
H   -1.9494332695   1.6470673621  -1.0255924015
H    5.4657803637  -2.2774560232  -1.1861620586
H   -4.1016237243  -1.9704403809   1.5564531847
H   -4.1802143760   0.8728936346  -1.6514759082
H    6.6935253335  -1.1087338102   0.6207039878
*