! 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  -5.8793734700  -1.1109738390  -0.5713068523
O    0.0666632080   1.7819893219   0.3247743029
N    1.4716664271   1.6399730009   0.1244290588
N    5.0663965267  -0.0361139849   1.2635050488
C    1.6254185248   0.2254267957  -0.2644909332
C    0.7318269858  -0.4250908127   0.8021710256
C   -0.3532470414   0.6427889095   1.0493950570
C    3.0775169035  -0.1695447516  -0.0863427485
C    1.1025927456  -0.0950405628  -1.6654970512
C   -1.7351239192   0.2374514714   0.6083569641
C    1.8464530691   2.6130527589  -0.8737809363
C    3.7371407769  -1.0249908274  -0.9584430590
C    3.8060107081   0.2894076634   1.0112564490
C   -2.3702321428  -0.7985242991   1.2894801140
C   -2.4063738621   0.8516815714  -0.4413160811
C    5.0545219735  -1.3783190899  -0.7042534938
C   -3.6383206187  -1.2236637681   0.9326611901
C   -3.6814353509   0.4400936552  -0.8088541276
C    5.6754495555  -0.8597312662   0.4155246475
C   -4.2870326108  -0.5949902772  -0.1195791878
H    0.3263111305  -1.3790843393   0.4679073851
H    1.2903217976  -0.6067710375   1.7197189651
H   -0.3886489318   0.8750507526   2.1210189830
H    1.0537818151  -1.1723086192  -1.8207419243
H    1.7307671985   0.3248432592  -2.4516886424
H    0.0927542036   0.2884880312  -1.8070199987
H    2.9012971481   2.4726071208  -1.1065573346
H    1.7350049368   3.6173125278  -0.4664672661
H    1.2720007067   2.5515672970  -1.8032556599
H    3.2423984798  -1.4261092658  -1.8316317366
H    3.3392352662   0.9548581408   1.7258712329
H   -1.8709542494  -1.2884672354   2.1166266586
H   -1.9480927905   1.6617310204  -0.9906502425
H    5.5883959505  -2.0454193362  -1.3663139862
H   -4.1129489670  -2.0316369777   1.4719046856
H   -4.1911918420   0.9302136509  -1.6266903016
H    6.7046449609  -1.1134284997   0.6390836048
*