! 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
O    0.9430368063   0.6714755156  -1.2198057069
N    0.8641527423  -2.1364844238  -0.5948003448
N    0.7535433553  -2.9524835080   0.4567612592
N   -1.0951158316  -3.0538070203  -0.8096849579
C    3.2904123870   0.8319943686  -0.4080575240
C    1.9036781150   0.1164549643  -0.3619861828
C    4.0005363738   0.2474307201   0.8237056925
C    1.5917699422   0.1630615799   1.1189210390
C    2.8922916934  -0.0483315762   1.8530825016
C    2.0474055226  -1.3414942759  -0.8232017351
C    3.0861719820   2.3375306563  -0.2178842235
C    4.0654700333   0.6034820289  -1.6983694937
C    0.4379056342   0.4146682018   1.7295266582
C   -0.2465116362  -2.1983658305  -1.3286025578
C   -0.4332496729  -3.4753400098   0.2834598682
H    4.7496890750   0.9384998018   1.2119958353
H    4.5359162748  -0.6667312541   0.5592643469
H    2.9535564703   0.5985454818   2.7283503428
H    2.9634107907  -1.0747182477   2.2204686292
H    2.8702513860  -1.8444507455  -0.3204575390
H    2.2597703192  -1.3638512522  -1.8921554636
H    2.5264157259   2.5797797768   0.6888457652
H    4.0548428516   2.8329696639  -0.1374610862
H    2.5698096508   2.7942788268  -1.0649640785
H    4.3378831452  -0.4418776954  -1.8490929559
H    3.4996333441   0.9347890148  -2.5714871797
H    4.9966419511   1.1730311001  -1.6813910602
H    0.7036204637   1.5513758130  -0.9124433011
H   -0.3856981553  -1.6316786740  -2.2345346332
H   -0.8344920631  -4.2014761648   0.9731589061
C   -0.8843512238   0.6905260221   1.1245448567
C   -3.4110461251   1.2237757815   0.0860298180
C   -1.8682584837  -0.2935582423   1.1008958002
C   -1.2073885076   1.9584956242   0.6440551953
C   -2.4604835247   2.2313458441   0.1164542960
C   -3.1278594890  -0.0389275650   0.5806685743
H   -1.6514976022  -1.2779917893   1.4939395271
H   -0.4752770742   2.7565868549   0.6896254135
H   -2.6889391806   3.2190425785  -0.2599900577
H   -3.8754922830  -0.8200531147   0.5615517918
Cl  -4.9816402623   1.5516500595  -0.5719985354
H    0.4490023943   0.4222261804   2.8176486032
*