! 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   5.6904085122   0.0432130372   0.1453555095
O   -0.0384591775  -0.6976710401  -0.8312924519
O   -2.3277849519  -1.5150743492  -1.5523186082
N   -1.2595806036   1.0229990612   0.1777603399
N   -1.1911702193   1.6895118727   1.3364376666
N   -1.7034323212   3.0803287070  -0.3475320874
C   -3.5378121599  -1.1578716865   0.4844803856
C   -2.3216037119  -1.0860809562  -0.4277536759
C   -1.0354556577  -0.4052427448   0.0888685764
C   -4.3446359468  -2.4040749260   0.1142675050
C   -3.1562849306  -1.2236994415   1.9636834026
C   -4.4009462380   0.0896119724   0.2282547578
C    1.2722154601  -0.4837075021  -0.5201910480
C   -1.5711177156   1.8657194511  -0.8147212029
C    2.1762783900  -0.8264530391  -1.5213381301
C    1.7312813379   0.0268309159   0.6862088237
C   -1.4654127514   2.9130626018   0.9703464151
C    3.5338619954  -0.6665907970  -1.3193950090
C    3.0971773114   0.1853245415   0.8881745484
C    3.9886682659  -0.1598163183  -0.1102785055
H   -0.7957010912  -0.7573273220   1.0955584820
H   -4.7163699947  -2.3676309662  -0.9086969188
H   -3.7556318851  -3.3151111270   0.2317039871
H   -5.2080097664  -2.4827192034   0.7760104509
H   -2.5055751584  -2.0724862327   2.1805687908
H   -4.0614443160  -1.3481100467   2.5587843908
H   -2.6681679195  -0.3163877508   2.3193459404
H   -3.9306596392   1.0101987201   0.5732145615
H   -5.3388650543  -0.0119820980   0.7761911363
H   -4.6458745951   0.2024488327  -0.8279703587
H   -1.6829395838   1.5626045112  -1.8440469615
H    1.8145971403  -1.2227394406  -2.4609186371
H    1.0647002891   0.3143118063   1.4869566767
H   -1.4923604611   3.7222536529   1.6824587834
H    4.2277231598  -0.9376621409  -2.1029782733
H    3.4488835996   0.5825458471   1.8301060055
*