! 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   1.8448871707  -0.6375761807  -2.0271728687
Cl   0.5003476369  -5.3730495506   0.0136729126
O   -0.7749696562   1.0529606670   1.2392726339
O   -0.1393209969   1.2068019203  -0.9111554047
N    1.6118383939   2.6355291438   0.7565896819
N    1.2393454892   3.4261494642   1.7679228087
N    1.7285782081   4.6513588609  -0.0495170175
C    0.2101824980   0.6566109032   0.3304973428
C   -1.9154030756   1.5248466539   0.5242127105
C   -1.2680783173   2.0529960004  -0.7449538669
C   -2.9556499649   0.4388331592   0.2914049924
C    1.5588667916   1.2000672284   0.8285117204
C    0.2962281644  -0.8621825238   0.2195072640
C   -4.2678703460   1.0068248642  -0.2377092974
C    0.9953722989  -1.5133798467  -0.7955444113
C   -0.3130864936  -1.6583257154   1.1835245562
C   -5.3095719922  -0.0743084957  -0.4782629134
C    1.0634098947  -2.8963218328  -0.8676987507
C   -0.2612952879  -3.0412777567   1.1375083673
C    1.8851550025   3.3781979300  -0.3165128951
C    0.4255567608  -3.6490227596   0.1023825594
C    1.3314801771   4.6164316503   1.2364233701
H   -2.3512656894   2.3313482949   1.1179166647
H   -1.8998896596   1.9656541404  -1.6291478374
H   -0.9654177988   3.0998774214  -0.6424412835
H   -3.1445863735  -0.0756780840   1.2377654810
H   -2.5722404365  -0.3138323587  -0.4052398239
H    2.3797055721   0.7996543527   0.2366639127
H    1.7222639573   0.8923176371   1.8599320006
H   -4.0939645042   1.5516114369  -1.1700341671
H   -4.6574612455   1.7396583234   0.4747034212
H   -0.8508401079  -1.1945570390   1.9973667798
H   -6.2448572186   0.3508647428  -0.8434309897
H   -4.9657306991  -0.7981660918  -1.2189907006
H   -5.5325126098  -0.6219786786   0.4389631152
H    1.6071597947  -3.3741570756  -1.6702194915
H   -0.7528067626  -3.6265767036   1.9012865891
H    2.2086569401   2.9558165064  -1.2542544014
H    1.1099167992   5.5044044930   1.8071470724
*
