! 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  -4.8474648041   1.5139325154  -2.5198164733
O    1.8988647065   1.5492947713  -0.3137880127
O    1.9671921127  -1.5983388486   2.3843981811
N    1.9039048594  -0.6182530263   0.3346718223
N    1.8252841896  -2.9460023738   0.5631630307
N    0.9404939033  -4.7369398379  -0.3608746095
C    1.8024069758   0.7767576381   0.8621242406
C    2.1552861096  -0.5997922798  -1.1322763183
C    2.6794107952   0.8296846132  -1.2376163352
C    0.4209420773   1.0153607688   1.4652274635
C    2.9481649923   1.1379153264   1.8010301950
C    3.2198318544  -1.5709734334  -1.6194824708
C    0.8702230193  -0.7421770849  -1.9430904925
C    0.1455512298   2.4642444458   1.8510277746
C    1.9103371624  -1.6569126340   1.1713731959
C   -1.3245845251   2.6927295398   2.2207341398
C   -2.2512804718   2.4194516152   1.0694419315
C    2.7711765912  -3.9359281289   0.6609816394
C    0.7410906869  -3.4878887327  -0.0480751572
C   -3.0205913915   1.2609893762   1.0160799119
C   -2.3151656988   3.2987526309  -0.0098742060
C    2.2111905767  -5.0224300678   0.0654755208
C   -3.8233546483   0.9740842926  -0.0793864102
C   -3.1105967341   3.0322154996  -1.1131159937
C   -3.8573674338   1.8643903560  -1.1388120396
H    3.7486249967   0.8753024969  -0.9919044180
H    2.5381328962   1.2538637163  -2.2317268984
H    0.2931532008   0.3805648505   2.3436505427
H   -0.3166069378   0.6861888382   0.7286576649
H    2.9408225678   2.2144959784   1.9724205719
H    3.9172243987   0.8788318728   1.3727822570
H    2.8625447605   0.6493338998   2.7666155229
H    2.8476211082  -2.5834497671  -1.7629698381
H    4.0832595253  -1.6031406432  -0.9544447492
H    3.5716893269  -1.2263152653  -2.5935202358
H    0.0986748666  -0.0460768061  -1.6139164954
H    1.0800817512  -0.5349838858  -2.9930593096
H    0.4613001171  -1.7491709248  -1.8942562759
H    0.7628196167   2.7539546207   2.7043686579
H    0.4091908404   3.1375790825   1.0320758935
H   -1.4420212367   3.7272626947   2.5511344070
H   -1.5928141886   2.0605316302   3.0705855006
H    3.7371089454  -3.7700287384   1.1072486987
H   -0.1763831665  -2.9390648826  -0.1867737971
H   -2.9935207148   0.5590217565   1.8407191732
H   -1.7314520360   4.2115986330   0.0030548022
H    2.6545589089  -5.9943929093  -0.0785799654
H   -4.4084968776   0.0647754975  -0.1020502622
H   -3.1443911804   3.7271912320  -1.9410941156
*