! 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   4.6396000811   3.8366997277   0.7609457798
O   -2.3352287594  -1.1444030114   1.4201599821
N   -1.1633616467  -2.8804171285  -0.6165351897
N   -0.2279833487  -3.1529765199  -1.5327198601
N    0.0951535134  -4.4007681219   0.3016972356
C   -2.2081177162  -0.6900240042   0.0914236108
C   -3.3495730893   0.2906115254  -0.3502289756
C   -0.9651610510   0.2160653560   0.0054803827
C   -2.6962597581   1.0653440732  -1.5115295444
C   -1.1733622353   1.0143638210  -1.2834878210
C   -2.2002999506  -1.8985106376  -0.8614541101
C    0.4208211048  -0.4215136267   0.1290979144
C   -3.7069034351   1.2446000816   0.7948619227
C   -4.6460642589  -0.3921679866  -0.7858486866
C    1.4862125016   0.6297065342   0.2874802617
C   -0.9585621513  -3.6337149953   0.4631792401
C    2.2644266375   1.0344329188  -0.7931719012
C    1.7045119708   1.2450519113   1.5184400105
C    3.2330064686   2.0194295249  -0.6601615705
C    2.6681267370   2.2297067893   1.6738213621
C    0.4999038216  -4.0603778066  -0.9332674976
C    3.4266006775   2.6094208579   0.5774813143
H   -1.0579562075   0.9029929712   0.8528648566
H   -3.0750141840   2.0875968787  -1.5549264853
H   -2.9523471787   0.6042204546  -2.4678518424
H   -0.6766112391   0.5167149863  -2.1204865162
H   -0.7311229622   2.0075661428  -1.2084460813
H   -2.0889240724  -1.5872501728  -1.8987752737
H   -3.1570671361  -2.4170402747  -0.7862719633
H    0.6493200768  -1.0189243473  -0.7536904897
H    0.4477639610  -1.0909977420   0.9931311348
H   -4.4308662496   1.9783972804   0.4370531499
H   -4.1685519852   0.7206438317   1.6327528885
H   -2.8544427489   1.8025652831   1.1817088879
H   -4.5321898593  -0.9958489346  -1.6861276038
H   -5.0589528348  -1.0301247198   0.0002709276
H   -5.4012386791   0.3635815486  -1.0084475908
H   -3.1793789469  -1.6005675986   1.5194997967
H   -1.5967953084  -3.6155940488   1.3295312724
H    2.1209483798   0.5736083605  -1.7627463678
H    1.1188138653   0.9494316637   2.3805362902
H    3.8284399590   2.3158200644  -1.5128145794
H    2.8266590594   2.6894210518   2.6397384916
H    1.3576332257  -4.5010271018  -1.4161373808
*