! 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   5.0080384886   1.3208307486   1.7377250217
O   -0.8325131103   0.0432849798   1.1377670519
N   -0.5862336478  -2.0766506762  -0.7844342273
N   -0.0877452920  -2.3918249841  -1.9841168279
N    1.0959465876  -3.3940067474  -0.3644568594
C   -1.6486342422   0.0980741452  -0.0123979340
C   -3.0566865130   0.6317552486   0.3546899468
C   -1.1988770880   1.1896945605  -1.0074281317
C   -3.6271985914   1.0977338066  -0.9994267138
C   -2.4161929307   1.3764076382  -1.9085117832
C   -4.0247155962  -0.2588381549   1.1426779354
C   -1.8051112355  -1.3069941043  -0.6283214662
C    0.1136534282   1.0262218198  -1.7725819085
C   -3.4455375874  -0.7843737721   2.4528024292
C   -5.3088493409   0.5163316172   1.4322535476
C    1.3431820965   1.0911050591  -0.9035492806
C    0.1273403448  -2.6838989634   0.1654011807
C    2.2291119287   0.0220957634  -0.8103040806
C    1.6283552624   2.2407968233  -0.1640237480
C    3.3556643971   0.0793856953   0.0002553475
C    2.7497755465   2.3210992913   0.6441162629
C    0.9178662578  -3.1730876212  -1.6793125416
C    3.6051550132   1.2316371291   0.7235627519
H   -2.8672661364   1.5195364197   0.9719338997
H   -1.1079621820   2.0970971712  -0.3975424510
H   -4.2508934369   1.9823601844  -0.8772626932
H   -4.2687144441   0.3243859313  -1.4296597872
H   -2.3844461864   0.6805696603  -2.7511054007
H   -2.4342600043   2.3781415180  -2.3382157630
H   -4.3039331317  -1.1179889818   0.5211091745
H   -2.2721626369  -1.2619768540  -1.6101685574
H   -2.4635833095  -1.9043991269   0.0002069937
H    0.1616906088   1.8437428868  -2.4985909611
H    0.1132600636   0.1055582964  -2.3579242232
H    0.0934091491   0.0568030704   0.8705477349
H   -3.1207107808   0.0348190861   3.0981792428
H   -4.2021804296  -1.3508280599   2.9991772000
H   -2.5923578504  -1.4456233832   2.3073565566
H   -5.1012279224   1.4136315617   2.0207169855
H   -6.0095145613  -0.0953643289   2.0030896949
H   -5.8212853896   0.8283164539   0.5217967451
H   -0.1025239898  -2.6102790178   1.2160108737
H    2.0568876422  -0.8713026852  -1.3954806077
H    0.9690565567   3.0984032428  -0.2211489213
H    4.0273897877  -0.7661811812   0.0562222393
H    2.9530987159   3.2238954021   1.2035985866
H    1.5451469928  -3.6070100785  -2.4421032132
*