! 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   5.2065600594   3.3698547643  -0.6771420605
O   -2.1179760360  -1.0773509062   1.5177682414
N   -0.7301724862  -2.7254761451  -0.5596320887
N    0.4008721427  -2.6007101105  -1.2587928107
N    0.6312333808  -4.1788148229   0.3182155632
C   -1.9504853182  -0.6537137220   0.1793803862
C   -3.1807254707   0.2064179617  -0.2392194309
C   -0.7467259740   0.3136862992   0.0626881080
C   -2.7292916321   1.6812759655  -0.1028279861
C   -1.3306482608   1.6533580243   0.4964871502
C   -4.5089726638  -0.0800697427   0.4822168913
C   -1.8656134720  -1.8547126444  -0.7751626538
C    0.5027582929  -0.0566464321   0.8739669232
C   -5.6146717590   0.7949621527  -0.1093437227
C   -4.9643225525  -1.5351778764   0.4046920802
C    1.6803934379   0.7999604945   0.5013870641
C   -0.5748928049  -3.6625555232   0.3758020976
C    2.0357519218   1.9144536089   1.2547827920
C    2.4372298292   0.5016380948  -0.6299559868
C    3.1148240846   2.7120185296   0.8998923819
C    3.5194129811   1.2844050144  -1.0008468153
C    1.1815619448  -3.4888911916  -0.6965016131
C    3.8492744978   2.3872124698  -0.2281708735
H   -3.3582225811   0.0046433940  -1.3018432847
H   -0.4744111958   0.3732158590  -0.9976514106
H   -3.4089359617   2.2643277827   0.5180383911
H   -2.7155231329   2.1600187597  -1.0821477542
H   -0.7190124361   2.4994484768   0.1817295559
H   -1.3837526397   1.6885290450   1.5881396775
H   -4.3939203775   0.1915481511   1.5368765890
H   -1.8059257428  -1.5080584490  -1.8050370976
H   -2.7639224549  -2.4642728500  -0.6897366785
H    0.7876949947  -1.0999393133   0.7316714661
H    0.2963437129   0.0711501599   1.9397985937
H   -1.2886127893  -1.4390159191   1.8494320886
H   -6.5596886195   0.6228111309   0.4084882634
H   -5.3994138913   1.8608711348  -0.0369919135
H   -5.7730568192   0.5625185878  -1.1653859080
H   -4.2879584042  -2.2234555137   0.9072302932
H   -5.0724890024  -1.8605843522  -0.6332112191
H   -5.9421715437  -1.6480371908   0.8767283061
H   -1.3615198457  -3.9569857212   1.0521812906
H    1.4684998066   2.1685061485   2.1417318934
H    2.1828615139  -0.3627148140  -1.2322172302
H    3.3771496329   3.5713522886   1.5017243182
H    4.0989854957   1.0320287245  -1.8782568614
H    2.1911524741  -3.6491502961  -1.0401777065
*