! 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   2.0141768053   1.2490093604   3.0044782608
Cl  -6.6794652728   0.9053643585  -2.9214979021
O    3.3522442838  -0.0800376540  -1.0956475421
O    3.7926706806   1.2705513448   0.6287997655
O   -2.5272349519   0.3468413992   1.1743296238
N    2.9051212770  -2.2601994931   0.8091772876
N    1.9299025254  -2.6584886741   1.6328337690
N    1.9627012766  -3.9289826732  -0.2168848677
C    3.0874213600   0.1227408516   0.2669788985
C    3.8553456886   1.1324776570  -1.6688950449
C    3.6594559739  -1.0591580646   1.0603767691
C    3.7478178702   2.1167970476  -0.5064303925
C    1.5835487186   0.2577398169   0.4909931725
C    5.2691013414   0.9210709173  -2.1650912064
C    1.0269372957   0.7216226314   1.6807932228
C    0.6954702414  -0.1846060474  -0.4844634662
C   -0.3417889813   0.7750623246   1.8796977326
C   -0.6773041986  -0.1643896383  -0.3071377115
C   -1.1938492516   0.3254627956   0.8823742304
C    2.9001299898  -3.0160733313  -0.2911830350
C    1.4020714206  -3.6583223125   0.9776177782
C   -3.4545737251   0.4776235107   0.1713113781
C   -3.3260184140   1.4334070663  -0.8278089939
C   -4.5728297439  -0.3403801311   0.2268664499
C   -4.3193677826   1.5601892412  -1.7849415464
C   -5.5743470705  -0.2043131303  -0.7221338453
C   -5.4367650423   0.7407839556  -1.7257312004
H    3.2062634178   1.4288032671  -2.4962371108
H    3.6261187403  -0.8628396584   2.1292307440
H    4.7002338460  -1.2168214830   0.7774436162
H    4.5791677296   2.8186134087  -0.4536880269
H    2.8122173779   2.6846945585  -0.5396989122
H    5.9533282364   0.7010211977  -1.3436826610
H    5.3161081632   0.0999631037  -2.8807775276
H    5.6243424280   1.8196487707  -2.6701381557
H    1.0823226400  -0.5714833820  -1.4160119688
H   -0.7488991389   1.1514820686   2.8086421569
H   -1.3199929855  -0.5374696900  -1.0929395073
H    3.5990309725  -2.8848277437  -1.1013872302
H    0.5779029177  -4.2238171824   1.3832602256
H   -2.4624343259   2.0846617433  -0.8709527168
H   -4.6694873119  -1.0778736677   1.0129297060
H   -4.2184053805   2.3011506662  -2.5657991481
H   -6.4486062118  -0.8391508900  -0.6754754348
*