! 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
O    1.1047641952   0.5775066224  -1.3369948527
N    1.0679607860  -2.2342410729  -0.8145147903
N    0.6010826674  -2.7992368896   0.3003544882
N   -0.7509937316  -3.2531789806  -1.4327925685
C    3.3561185491   0.8137596302  -0.3240776265
C    1.9919729891   0.0440246548  -0.3922902782
C    3.9796170411   0.2685897844   0.9693935797
C    1.5531587393   0.1141088830   1.0556785319
C    2.7952393061  -0.0654136436   1.8944876669
C    2.2488086292  -1.4079468385  -0.8274434375
C    3.0819054807   2.3126752149  -0.1735365387
C    4.2472154807   0.6056836434  -1.5413799192
C    0.3866663101   0.4501648004   1.6165094706
C    0.2510076700  -2.5064411888  -1.8327736369
C   -0.4867032568  -3.3931613154  -0.1200149676
H    4.6601440009   0.9944293042   1.4159931421
H    4.5746001760  -0.6233382647   0.7628306710
H    2.7610084088   0.5707361047   2.7794641902
H    2.8618724413  -1.0944573686   2.2578005250
H    2.9974440004  -1.8846871952  -0.1976066277
H    2.6290338456  -1.4213422420  -1.8481076525
H    2.4294290627   2.5430793504   0.6713456629
H    4.0214865437   2.8419730755  -0.0084621405
H    2.6332958345   2.7407214521  -1.0722377614
H    5.1399668188   1.2288132123  -1.4583697851
H    4.5913401942  -0.4240967759  -1.6455080483
H    3.7397221719   0.8893440454  -2.4657999409
H    0.7810515130   1.4287655552  -1.0223961280
H    0.4297984141  -2.1586288616  -2.8376840991
H   -1.1124973139  -3.9628552767   0.5488663042
C   -0.9569666552   0.7094215969   1.0847689387
C   -3.5789719816   1.2694850767   0.2877990328
C   -1.5238098276   0.0824522890  -0.0265313389
C   -1.7611337551   1.6077854152   1.7963224488
C   -3.0568174599   1.8994048532   1.4063600977
C   -2.8209298020   0.3577409860  -0.4283876884
H   -0.9616628473  -0.6388047524  -0.5938738587
H   -1.3630037184   2.0950052833   2.6780157157
H   -3.6502442659   2.6032040616   1.9737603397
H   -3.2352054105  -0.1469997245  -1.2905103722
Cl  -5.2026656571   1.6114243250  -0.2094939783
H    0.4347293843   0.5934477740   2.6937928414
*