! 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   6.7809661595  -0.2759017432   0.0500916737
O   -1.6755304889  -0.1362374614  -1.5451619308
N   -3.3957084437   1.4630214280   0.0650190840
N   -4.2348249671   1.3470370307   1.0991576248
N   -5.3821639255   1.6124423366  -0.8086702850
C   -1.4183603079  -0.0339294417  -0.1614929334
C   -2.0465364642  -1.1492398439   0.7450404295
C    0.0945289130  -0.1139292317   0.1398509670
C   -0.9256068287  -1.5657702260   1.7193376843
C    0.1557327921  -0.4970089506   1.6096186047
C   -2.7123765411  -2.3656013752   0.0752887811
C   -1.9617830824   1.3477891220   0.2234212229
C    0.9282490607   1.1014219113  -0.2650558662
C   -4.0561189366  -2.0306429609  -0.5631977851
C   -1.8356079860  -3.1660325334  -0.8919552244
C    2.3983818473   0.8000729499  -0.1957574765
C   -4.0942358630   1.6141642402  -1.0598897675
C    3.1515503160   1.1229292993   0.9292808324
C    3.0336159141   0.1386261683  -1.2446405670
C    4.4978170491   0.7968389565   1.0148881672
C    4.3778091565  -0.1949617289  -1.1802518129
C   -5.4066967238   1.4387498284   0.5253202392
C    5.0994338966   0.1373633839  -0.0442793604
H   -2.8394149555  -0.6904918987   1.3398351289
H    0.4651465076  -0.9770758213  -0.4331352313
H   -0.5030921765  -2.5295741999   1.4247129974
H   -1.3016502359  -1.6889149572   2.7352356244
H   -0.0690522022   0.3684652934   2.2412419717
H    1.1382017567  -0.8608551340   1.9114730971
H   -2.9259449596  -3.0353480813   0.9162908419
H   -1.5015170340   2.1201233853  -0.3929604378
H   -1.7366449607   1.5833146544   1.2616311352
H    0.7012109366   1.9492014144   0.3862678037
H    0.6675377405   1.4022293827  -1.2833961440
H   -1.2838869969  -0.9494293511  -1.8786924184
H   -3.9465881199  -1.3633051890  -1.4175102797
H   -4.5527470782  -2.9366506131  -0.9167209985
H   -4.7276186319  -1.5499804286   0.1509826275
H   -2.1973171596  -4.1916062595  -0.9662035878
H   -0.7925934939  -3.2262066378  -0.5770343988
H   -1.8547171705  -2.7751662817  -1.9111807754
H   -3.6361221209   1.7427518074  -2.0266432180
H    2.6852088264   1.6407236357   1.7587762983
H    2.4719638322  -0.1227733559  -2.1337670662
H    5.0662588107   1.0570616809   1.8975354240
H    4.8534473116  -0.7061295242  -2.0064905047
H   -6.3198523801   1.3888797205   1.0974941117
*