! 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   4.8060066235   0.1287832984   1.8393412755
O   -1.5846332293  -0.8170221053   1.2131711907
N   -0.3470009133  -1.3160833568  -1.3624554533
N    0.3991183134  -1.8511751396  -0.3881287762
N    1.6014602722  -1.6700332804  -2.2643305830
C   -2.1167143283  -0.2115577350   0.0581674525
C   -3.6723456226  -0.1475120358   0.2102352994
C   -1.7503326119   1.2892049831  -0.0972035157
C   -4.0681720219   0.8781886438  -0.8557664774
C   -2.9147241284   1.8915385408  -0.9099524738
C   -1.7636817411  -1.0503526174  -1.1856509077
C   -0.4207418973   1.7143170411  -0.7163240565
C   -4.0497076732   0.3861186102   1.5983042710
C   -4.3872075581  -1.4831081106   0.0255703942
C    0.8618325169   1.3175061997  -0.0338869209
C    0.3851287924  -1.2170218458  -2.4698532546
C    0.9627684119   1.0803616175   1.3348086605
C    2.0240293251   1.2244473510  -0.7962184768
C    2.1692735299   0.7190898329   1.9170928528
C    3.2399611944   0.8714999718  -0.2338944619
C    1.5589085361  -2.0284616638  -0.9710887185
C    3.2982312133   0.6064538882   1.1237560676
H   -1.7848661175   1.7070503063   0.9125057690
H   -5.0283209314   1.3424536636  -0.6249183710
H   -4.1910100848   0.3879676016  -1.8250095830
H   -2.6082048602   2.0689677145  -1.9434132412
H   -3.1988417265   2.8627827899  -0.5041784305
H   -2.1045011322  -0.5643259890  -2.0991751901
H   -2.2587293431  -2.0188332163  -1.1307134372
H   -0.4471837383   2.8090703064  -0.7636828004
H   -0.3767556532   1.3981589908  -1.7618652919
H   -5.1331960132   0.5081377581   1.6489066105
H   -3.7638307675  -0.3020525321   2.3933081294
H   -3.6115863261   1.3586641654   1.8250377667
H   -3.9854193668  -2.2507122562   0.6896690791
H   -5.4462645372  -1.3711309682   0.2647827633
H   -4.3387425224  -1.8587029971  -0.9969819004
H   -0.6869622231  -1.1322215130   1.0225277797
H   -0.0065446301  -0.8295552317  -3.3967809709
H    0.0952587787   1.1665063942   1.9744044794
H    1.9829486666   1.4227683193  -1.8603877596
H    2.2210966073   0.5262090094   2.9802667735
H    4.1239702177   0.7968615524  -0.8523911494
H    2.3984514726  -2.4447078389  -0.4382676358
*