! 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   5.2458869869   3.5646635380  -0.2090956167
O   -1.7098166969  -1.2005570590   1.9067013105
N   -1.1848371130  -2.7303177043  -0.5541127580
N   -0.7449692088  -3.4147696842   0.5067487313
N    0.2754247267  -4.1302144368  -1.3511148696
C   -1.8043414219  -0.6068276432   0.6294041642
C   -2.8979786821   0.4835465997   0.6725342894
C   -0.5704968692   0.2595998889   0.2866234217
C   -2.5943691734   1.3678968261  -0.5422164934
C   -1.0756564722   1.2319806248  -0.7833811867
C   -4.3569901129   0.0307116177   0.8716687642
C   -2.1621467581  -1.6675871196  -0.4221936794
C    0.7450238857  -0.4361246161  -0.0649833582
C   -5.1040507263   1.0489209386   1.7306963469
C   -5.1473294121  -0.2092922748  -0.4132233734
C    1.8841520855   0.5443396688  -0.1078289915
C   -0.5673403846  -3.1667546541  -1.6479345353
C    2.3356717201   1.0721944481  -1.3138006385
C    2.4953170377   0.9755400759   1.0675436786
C    3.3651862508   2.0017343475  -1.3563460918
C    3.5266899568   1.9018388238   1.0474880875
C    0.1296530473  -4.2359985996  -0.0204516613
C    3.9531629983   2.4086879417  -0.1703238072
H   -2.6340367389   1.0649604130   1.5646426160
H   -0.3875741703   0.8333434443   1.2034705926
H   -2.8959965267   2.4005782108  -0.3667278333
H   -3.1430052539   1.0338976334  -1.4235156570
H   -0.8782988192   0.8374173072  -1.7838490639
H   -0.5586441039   2.1894912024  -0.7244794794
H   -4.3349135345  -0.9096765301   1.4340973281
H   -2.2747922565  -1.2260697271  -1.4114625794
H   -3.1144089147  -2.1292703568  -0.1588148723
H    0.6730571943  -0.9272276905  -1.0369591376
H    0.9682701917  -1.2087016019   0.6756551307
H   -1.2255658867  -2.0369116035   1.8274337071
H   -5.1220864094   2.0314815541   1.2528720624
H   -6.1401045994   0.7463452827   1.8938972844
H   -4.6370154054   1.1661764242   2.7098961709
H   -4.6528784182  -0.8819340257  -1.1136545890
H   -5.3415720347   0.7249561493  -0.9435662348
H   -6.1167464081  -0.6512755949  -0.1769071598
H   -0.7584824557  -2.7625121271  -2.6294482345
H    1.8810860240   0.7537703645  -2.2440142939
H    2.1675292930   0.5788876978   2.0211180058
H    3.7018278466   2.3980939818  -2.3045854130
H    3.9924040666   2.2192478237   1.9705226950
H    0.6773725737  -4.9414624783   0.5838480224
*