! 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   5.9936063106   1.6426180070  -0.2814698688
O   -2.4087544993  -1.2217060153  -1.4250103887
N   -2.5918608576   1.4785741218  -0.1513287864
N   -2.6959476761   1.6066988982  -1.4779784757
N   -2.2833836478   3.5961989498  -0.5382905143
C   -1.8737261098  -0.8967255392  -0.1561161730
C   -1.8268914736  -2.1721631550   0.6968603723
C   -0.3727960552  -0.5685145827  -0.3336337818
C   -0.7038184727  -2.9883102558   0.0417361197
C    0.2307695958  -1.9560098293  -0.6248854974
C   -3.1340518508  -2.9179921691   1.0071264100
C   -2.7196853395   0.1909715749   0.5047091196
C    0.2864851313   0.1051079148   0.8799481859
C   -3.8279000797  -3.5887984362  -0.1747864135
C   -2.8703730418  -3.9557967353   2.0979853169
C    1.7132856643   0.4905666149   0.6057861962
C   -2.3440512378   2.6682893678   0.3899072124
C    2.7736805448  -0.1714437027   1.2163197584
C    2.0092022961   1.5214525839  -0.2848765875
C    4.0921207893   0.1747012682   0.9525392617
C    3.3175758046   1.8818738953  -0.5638899249
C   -2.5009877022   2.8895650783  -1.6592590570
C    4.3519757338   1.2001250299   0.0598081238
H   -1.4562758971  -1.8414747483   1.6745173625
H   -0.2447413937   0.0978732662  -1.1925356787
H   -1.1002530135  -3.6800245240  -0.7026857589
H   -0.1789388810  -3.5959614290   0.7790541675
H    1.2527878253  -2.0314262598  -0.2514039312
H    0.2884078760  -2.1273884187  -1.6992848216
H   -3.8341606636  -2.1868310725   1.4281725550
H   -2.4401197590   0.3348571239   1.5470308593
H   -3.7708829450  -0.1023675655   0.4924056290
H    0.2537714195  -0.5540237592   1.7503758194
H   -0.2610644952   1.0087875177   1.1582716147
H   -2.4434450121  -0.4025293810  -1.9406460340
H   -3.1861168260  -4.3287904116  -0.6568393286
H   -4.7171102463  -4.1183636162   0.1733590744
H   -4.1464021902  -2.8787748074  -0.9332097845
H   -2.2114951237  -4.7509529558   1.7424186671
H   -3.7998458204  -4.4265781739   2.4227955492
H   -2.4027863206  -3.5082673127   2.9773704701
H   -2.2265195918   2.8162000439   1.4517571093
H    2.5738034983  -0.9723924929   1.9175160335
H    1.2072723775   2.0637754870  -0.7722403554
H    4.9009714534  -0.3522010136   1.4400747593
H    3.5255610735   2.6849796767  -1.2577904866
H   -2.5196654773   3.3286979518  -2.6441513482
*