! 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   0.1727715053   0.6022132389   3.0323757356
Cl   4.1460136093   1.3866116663  -0.4538315331
N   -1.2975819097  -2.2172952805  -0.2594130248
N   -0.0285456332  -2.6311468079  -0.3054032270
N   -1.0910159694  -3.1583717435  -2.2096411284
C   -1.6594442852   0.0942706033   0.5999782349
C   -2.6283838960   0.6037699509  -0.4669254885
C   -1.7974337280  -1.4183421732   0.8357063439
C   -0.2153078548   0.4536227650   0.3432284884
C   -2.6734247408   2.1232330887  -0.5716217748
C    0.6895877599   0.6846396848   1.3771868908
C    0.2965921935   0.5076595368  -0.9515900454
C   -3.7036437980   2.5973197017  -1.5849560427
C    2.0267949085   0.9747864312   1.1516298690
C    1.6253916055   0.7891925687  -1.2151314231
C   -1.9115141109  -2.5319425581  -1.4009419436
C    2.4815073860   1.0252617031  -0.1534961464
C    0.0437148120  -3.1869990932  -1.4866324535
H   -1.9693086314   0.5508908366   1.5437196014
H   -2.4053933679   0.1792271806  -1.4502938215
H   -3.6263044159   0.2375617705  -0.2071210365
H   -2.8462883723  -1.6689645324   0.9908039940
H   -1.2581884750  -1.7205492936   1.7310509544
H   -2.9028610814   2.5442834285   0.4115490116
H   -1.6896365194   2.5117300806  -0.8467546983
H   -0.3570541764   0.3221829347  -1.7941905237
H   -3.7242280985   3.6854417487  -1.6529675505
H   -4.7078183684   2.2649233765  -1.3155717446
H   -3.4854795744   2.2097710659  -2.5818765406
H    2.6968802931   1.1561128450   1.9801799986
H    1.9828839979   0.8217301480  -2.2347707243
H   -2.9499671471  -2.3098152690  -1.5901012848
H    0.9561887576  -3.6401749491  -1.8413801657
*