! 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  -0.3835372820  -2.3393458489  -2.0011218752
Cl  -4.4400351862  -1.3035174107   1.3410764688
O    3.4624475891  -0.8357143714   0.2092759074
N    2.1821655911  -1.1498417417   0.5531014584
N    2.2214521464   3.7159002925   0.3016612543
C    1.5570192157   0.3785996904  -1.3074765809
C    1.3064030299  -0.5863665974  -0.1790792790
C   -0.1030700796  -0.8168079140   0.2131485220
C    1.3341946041   1.7822142408  -0.8102348514
C   -0.9762068657  -1.5580563117  -0.5767198445
C   -0.6076743228  -0.2409243982   1.3747354294
C    0.0971084041   2.4055042140  -0.9144582511
C    2.3563751902   2.4889108676  -0.1856199403
C   -2.3099820057  -1.7205228091  -0.2422026170
C   -1.9365613737  -0.3853139404   1.7367334919
C   -2.7756133596  -1.1213170646   0.9168966411
C   -0.0587365063   3.6856924711  -0.4078976951
C    1.0310618947   4.2968892249   0.1889294664
C    4.3746463798  -1.5431984505   1.0299830808
H    2.5633834563   0.2672456131  -1.7073346101
H    0.8626465761   0.1709864963  -2.1224862479
H    0.0497433898   0.3427628949   2.0047513129
H   -0.7335175464   1.9006765174  -1.3925629995
H    3.3376056292   2.0375767717  -0.0836544462
H   -2.9677616508  -2.3059870529  -0.8689425364
H   -2.3077367763   0.0757185788   2.6410349321
H   -1.0052663961   4.2033727022  -0.4768490102
H    0.9398679519   5.2979385664   0.5930762390
H    4.2833395081  -2.6236357303   0.9012673130
H    4.2469105676  -1.2955057949   2.0854911172
H    5.3684172512  -1.2339057522   0.7130629887
*
