! 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  -4.2828062375   1.1834276714  -2.6899023560
O    1.5378637741   1.4195837368  -0.6552044317
O    2.0959521546  -1.2400359494   2.4547771921
N    1.6945170413  -0.6077144422   0.3096491289
N    1.8681451599  -2.8727422563   0.9010900500
N    1.2516090469  -4.9855504770   0.9477724878
C    1.7867334913   0.8537309691   0.6089262319
C    1.0784277424  -0.8218667942  -1.0296058439
C    0.5833898519   0.6043658035  -1.2902883178
C    0.6994933057   1.2755908777   1.6097788788
C    3.1775426916   1.2772348717   1.0368107618
C    2.1054378440  -1.2019094283  -2.0921080487
C   -0.1039202695  -1.7803314319  -1.0379176422
C    0.4753500005   2.7877327165   1.6833568135
C    1.8921078295  -1.4985777858   1.2843584392
C   -0.9928867340   3.1380385264   1.9588412071
C   -1.8806420403   2.6908115649   0.8312928743
C    2.7661810895  -3.5528306299   0.1151396067
C    0.9905561448  -3.7880566985   1.3876913115
C   -1.8465230638   3.3508372721  -0.3960794484
C   -2.6892743928   1.5636331880   0.9456941008
C    2.3658097372  -4.8516031929   0.1603298344
C   -2.5836146765   2.9003609385  -1.4795102695
C   -3.4315229163   1.0919859282  -0.1287428927
C   -3.3675702192   1.7655170086  -1.3363379721
H    0.5589819354   0.8443679029  -2.3526689882
H   -0.4242856834   0.7613690622  -0.8840371657
H    0.9492075367   0.8955606095   2.5982352796
H   -0.2308591246   0.7754199293   1.3296147648
H    3.4389320506   0.8664071465   2.0085534670
H    3.2236413661   2.3638618200   1.1171602219
H    3.9255674309   0.9600980834   0.3101263061
H    1.6380434473  -1.1589016731  -3.0764726451
H    2.4789315768  -2.2148091632  -1.9620827948
H    2.9555277579  -0.5193252674  -2.0942743169
H   -0.6751970849  -1.6129379605  -1.9525998607
H    0.1907865389  -2.8280882363  -1.0427750151
H   -0.7744715510  -1.6048175745  -0.1954821424
H    1.0967628722   3.2235375408   2.4682201890
H    0.7727617835   3.2743290490   0.7526689165
H   -1.0789052456   4.2182889318   2.0958415664
H   -1.3164159424   2.6745623454   2.8938280808
H    3.6145940488  -3.0758357133  -0.3437134632
H    0.1746228778  -3.5128108620   2.0376289323
H   -1.2281767190   4.2325085721  -0.5155874382
H   -2.7396183094   1.0318490603   1.8881699797
H    2.8264923128  -5.6968828685  -0.3247762760
H   -2.5426511173   3.4261014133  -2.4238483321
H   -4.0462679216   0.2088170208  -0.0199102656
*