! 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  -6.4513723814   4.7351140953   0.4947698260
O    1.8322534256   1.0047268372   0.4010644088
O    1.1014430391  -3.0461327693   0.7970364300
N    2.2655809266  -1.1970274109   0.1847956419
N    3.2058190493  -3.3378703367  -0.0061239682
N    4.2813743772  -4.9610877269  -1.0319285595
C    1.2187691576  -0.2386312712   0.6481200167
C    3.3416271699  -0.4801603304  -0.5478839132
C    2.6249463823   0.8557714371  -0.7527688477
C   -0.0613605787  -0.3797348187  -0.1868193439
C    0.9688834849  -0.3352225457   2.1427352210
C    4.5846373048  -0.2670328369   0.3106889788
C    3.7010733395  -1.0799382919  -1.8999056490
C   -1.1144638941   0.6759476502   0.1294911486
C    2.0988950573  -2.5077485463   0.3575055817
C   -2.3083611572   0.5690763614  -0.8204622464
C   -3.3593374812   1.5970196463  -0.5161997615
C    4.3459159296  -3.5661908171   0.7251492259
C    3.2110781610  -4.2184088067  -1.0385924680
C   -3.2768664673   2.8812716030  -1.0492952589
C   -4.4169930140   1.3088656440   0.3422743166
C    4.9935493571  -4.5671929674   0.0705256967
C   -4.2193869385   3.8517426496  -0.7441917636
C   -5.3708571891   2.2648282246   0.6601951867
C   -5.2621917732   3.5321658933   0.1110393177
H    3.3196914235   1.6919244323  -0.8196578895
H    2.0164065717   0.8438242403  -1.6654029025
H   -0.4872810202  -1.3702226718  -0.0276678361
H    0.1950923095  -0.3243440837  -1.2491326259
H    0.3595143984  -1.1984510950   2.3965333789
H    0.4404112252   0.5533677930   2.4867784726
H    1.9085465651  -0.3980895774   2.6915731862
H    5.1206076278  -1.1950657685   0.4971604044
H    4.3399858744   0.1865874610   1.2713810689
H    5.2724720379   0.4002971173  -0.2098991534
H    2.8163849150  -1.4047473545  -2.4482519108
H    4.1936520694  -0.3115922343  -2.4981808553
H    4.3969855127  -1.9133298450  -1.8267660850
H   -1.4699035467   0.5639518834   1.1572048294
H   -0.6862273299   1.6783957627   0.0528569950
H   -2.7400755493  -0.4323861070  -0.7496028981
H   -1.9609821284   0.6895634274  -1.8497932324
H    4.5674604240  -3.0408829796   1.6383650388
H    2.4156480171  -4.2543100231  -1.7665149895
H   -2.4654053641   3.1336904429  -1.7214071739
H   -4.5061341268   0.3179059796   0.7707996503
H    5.9298899882  -5.0289939064   0.3393784699
H   -4.1408519013   4.8419921025  -1.1719367041
H   -6.1879749280   2.0196161644   1.3250561410
*