! 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  -4.6963047387  -0.4435623762  -0.0227749428
O    1.8438178575  -1.3497365694  -1.1104114376
N    2.8930911376  -0.4445854747  -0.8018671879
N   -0.4694130032   2.4715168429   1.0071664644
C    2.4713779812   0.1546038059   0.4699228541
C    1.8897345602  -1.0547082010   1.2121035431
C    1.1777800731  -1.7870704630   0.0792054206
C    1.3956243106   1.1948226462   0.1818964916
C    3.6177428811   0.8177960748   1.2212400344
C   -0.2991221088  -1.4699230630  -0.0008205076
C    4.1368819865  -1.1944921819  -0.7565335373
C    1.2639967177   1.8110078502  -1.0545983827
C    0.5046676069   1.5876474415   1.1760815818
C   -0.8738959534  -0.8365477741  -1.0955323171
C   -1.1167773015  -1.8105500411   1.0735510285
C    0.2466845044   2.7314366661  -1.2503773222
C   -2.2251960746  -0.5218237105  -1.1098601262
C   -2.4670732203  -1.5022407033   1.0771357673
C   -0.6021228570   3.0176038405  -0.1964805484
C   -3.0100252797  -0.8511782715  -0.0192980634
H    2.6979178300  -1.6608889019   1.6238821880
H    1.2311197324  -0.8035112335   2.0397140912
H    1.3023909087  -2.8705643058   0.1778579633
H    3.2297698624   1.2966293690   2.1200277290
H    4.0969185646   1.5900570615   0.6187575560
H    4.3743315433   0.0996345217   1.5362086393
H    4.9653194209  -0.4987645791  -0.6366501519
H    4.2764877206  -1.6914430998  -1.7150331975
H    4.2004126152  -1.9505942964   0.0335739789
H    1.9374887890   1.5655823452  -1.8630722011
H    0.5784289884   1.1682642057   2.1733130601
H   -0.2726185919  -0.5632347177  -1.9500975046
H   -0.6985805818  -2.3163914500   1.9359542675
H    0.1110678073   3.2161954302  -2.2074623061
H   -2.6530812398  -0.0166006544  -1.9650534602
H   -3.0835367510  -1.7654580193   1.9257621664
H   -1.4144438517   3.7236785599  -0.3226466510
*