! 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   4.8688068488   0.2528968870   0.6852992427
O   -1.5808599421   0.3903752914   1.2587354900
N   -0.6350323718  -1.8904879455  -0.2646331089
N    0.2287880099  -1.6749210791   0.7356839058
N    1.2685608935  -2.6608216052  -0.9834619005
C   -2.2103301011   0.0169405478   0.0509196871
C   -3.7291732433   0.3404664512   0.2471501954
C   -1.6230908739   0.7798397837  -1.1729422036
C   -2.0270718920  -1.4993345970  -0.1710600063
C   -3.9268642663   1.8558490579   0.3694287814
C   -4.5696700453  -0.1683949818  -0.9283813148
C   -4.2799348862  -0.3009418240   1.5270933116
C   -0.7012869234   1.9612191686  -0.8569043753
C    0.6927223764   1.5588521772  -0.4566471187
C    0.0033399111  -2.4678915305  -1.2797907510
C    1.5191865575   0.9090263160  -1.3709948751
C    1.2004173539   1.8158618014   0.8133179077
C    1.3527083913  -2.1439069536   0.2530712357
C    2.8029060174   0.5128654102  -1.0342469669
C    2.4833556366   1.4263938316   1.1724404620
C    3.2726073430   0.7720147031   0.2426900553
H   -2.4385820149   1.1509124918  -1.7932347208
H   -1.0808954679   0.0943159331  -1.8298174673
H   -2.4814194695  -2.0734908514   0.6357129576
H   -2.4926045142  -1.8129964373  -1.1030997172
H   -3.6368382073   2.3946363392  -0.5338852866
H   -3.3691375445   2.2774427838   1.2057846401
H   -4.9828500094   2.0747404314   0.5406385770
H   -4.5884778357  -1.2577092162  -0.9900605087
H   -4.2326365019   0.2130122990  -1.8932747078
H   -5.6043973589   0.1557074090  -0.8045252354
H   -4.2174164288  -1.3901626638   1.5187110409
H   -3.7754708130   0.0567099494   2.4234297118
H   -5.3381071583  -0.0515329886   1.6303299438
H   -1.1406739711   2.6044818357  -0.0943864410
H   -0.6344308553   2.5683065380  -1.7637447164
H   -0.7038307924  -0.0199048250   1.3009076648
H   -0.4899951755  -2.7423618859  -2.1988072024
H    1.1583985471   0.6986450122  -2.3707760479
H    0.5881485854   2.3284418370   1.5447023581
H    2.2649310308  -2.1210707058   0.8275230185
H    3.4227676668   0.0021659486  -1.7581730906
H    2.8555263337   1.6311426147   2.1671820279
*