! 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   6.8408145679  -0.0623125749  -0.0027017348
O   -1.5438953423  -0.0089576282  -1.6906672949
N   -3.3384598556   1.3884007538   0.2601066873
N   -4.1669752606   1.0008612035   1.2327693430
N   -5.3311285150   1.8248183358  -0.4974937900
C   -1.3639166409  -0.0650526467  -0.2899361578
C   -1.9461656920  -1.3513539707   0.4103540735
C    0.1608829224  -0.1496417780  -0.0487829440
C   -0.7286517644  -2.0203599320   1.0740794337
C    0.2844143029  -0.9046586411   1.2636057623
C   -2.7517598740  -2.3134074376  -0.4780806233
C   -1.9033673049   1.2259822599   0.3516489464
C    0.9467278224   1.1601672875  -0.1366710980
C   -2.9819593886  -3.6439263267   0.2378159223
C   -4.1208071598  -1.7651881929  -0.8806309963
C    2.4263892950   0.9008410587  -0.1063655866
C   -4.0464872885   1.8736642615  -0.7612525910
C    3.0939156550   0.4764830787  -1.2532449608
C    3.1576780620   1.0258792575   1.0709636431
C    4.4480033283   0.1798132282  -1.2325946808
C    4.5136657875   0.7333971900   1.1138263301
C   -5.3433441943   1.2782504246   0.7313650432
C    5.1472100321   0.3094962374  -0.0425791889
H   -2.6164402666  -1.0262429092   1.2126577846
H    0.5402844701  -0.8142450495  -0.8355105227
H   -0.2987940673  -2.7740816780   0.4069174565
H   -0.9914656554  -2.5280562266   2.0020903365
H    0.0175805070  -0.2644966984   2.1111177135
H    1.2940388838  -1.2740016903   1.4464375873
H   -2.1716467117  -2.5213735468  -1.3839241774
H   -1.4596684547   2.0952719240  -0.1327672737
H   -1.6444696773   1.2740977400   1.4083259453
H    0.6812014961   1.8231170790   0.6901504853
H    0.6896699066   1.6853192596  -1.0606773542
H   -2.4755252180  -0.0984015809  -1.9134275958
H   -3.5132191466  -3.4971508090   1.1814369383
H   -3.5905006442  -4.3086010570  -0.3778891212
H   -2.0547614899  -4.1719575642   0.4566922587
H   -4.7439725912  -1.5986435554   0.0001100767
H   -4.6435837936  -2.4768184133  -1.5217041614
H   -4.0979340172  -0.8250450893  -1.4348798450
H   -3.5936931761   2.2745115384  -1.6548535877
H    2.5506215347   0.3751232493  -2.1853764222
H    2.6651036988   1.3563636112   1.9773522619
H    4.9484688350  -0.1470252703  -2.1339922143
H    5.0640387717   0.8359451930   2.0392079327
H   -6.2501951501   1.0854978363   1.2827655302
*