! 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   5.2796484255   0.1444624635  -0.6159080873
O   -1.1997886270  -0.0203696083  -1.4709073387
N   -0.2825562457   1.6243964441   0.7814877788
N    0.5999471685   1.7949543688  -0.2096689844
N    1.5784568412   2.1598333232   1.7699108791
C   -1.7953950052  -0.0936656706  -0.1938463200
C   -3.2798504117  -0.4617727082  -0.4015212400
C   -1.2500268155  -1.2455674847   0.7217916333
C   -3.6803449646  -1.1137238301   0.9146402189
C   -2.4938925943  -2.0266251586   1.1902214289
C   -4.2217797293   0.6097212931  -0.9761154872
C   -1.6577701005   1.2615501793   0.5157343260
C   -0.2357010744  -2.1831292378   0.0611330494
C   -4.9032701709   1.4856696164   0.0732471407
C   -5.2915222771  -0.0553534904  -1.8397304786
C    1.1399548118  -1.6061363422  -0.1271209174
C    0.3186468061   1.8353387030   1.9505451285
C    1.6737173856  -1.3728070891  -1.3911653376
C    1.9284698293  -1.3044552187   0.9815752057
C    2.9459790010  -0.8429652792  -1.5529894684
C    3.2014684011  -0.7768581411   0.8424925777
C    1.6991766049   2.1039126346   0.4325035462
C    3.6982277023  -0.5457408215  -0.4301023389
H   -3.2392038648  -1.2737750422  -1.1409969640
H   -0.7719945626  -0.8074261749   1.6037065998
H   -4.6243508006  -1.6568311508   0.8488568705
H   -3.7938097468  -0.3714464331   1.7100964018
H   -2.4132361951  -2.3340186504   2.2333250140
H   -2.6009927063  -2.9394572915   0.5968324384
H   -3.6347024380   1.2595068011  -1.6351399447
H   -2.1659141368   1.2479201718   1.4784426924
H   -2.1008156534   2.0566273550  -0.0852435004
H   -0.6285546282  -2.5437699274  -0.8918878245
H   -0.1506930382  -3.0646469197   0.7039092097
H   -0.3391912614   0.4182835360  -1.3967593817
H   -4.2082276882   1.9809497946   0.7507105367
H   -5.5962238770   0.9050435820   0.6856542189
H   -5.4857231578   2.2699550431  -0.4135356674
H   -5.8885721464  -0.7612588716  -1.2569071306
H   -4.8501410299  -0.6057570965  -2.6722762713
H   -5.9779942868   0.6822083516  -2.2595532954
H   -0.1970719100   1.7592303584   2.8949122440
H    1.0916225771  -1.6086720974  -2.2732821003
H    1.5464798574  -1.4835075082   1.9798821282
H    3.3394222874  -0.6642260290  -2.5446071851
H    3.7940059440  -0.5446654966   1.7167733934
H    2.6183369233   2.3157984473  -0.0898773791
*