! 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  -0.6339559519  -2.1227842441  -2.1519310396
Cl  -4.4580525186  -1.7235183645   1.5757600200
O    3.2734896878  -0.4943347170   0.0898670817
N    2.0427627214  -0.9239514803   0.4747713018
N    2.8051063350   3.7443181110  -0.2695782820
C    1.2785691207   0.4898912165  -1.4059562985
C    1.1035849866  -0.4707327744  -0.2572575634
C   -0.2629599346  -0.8191804459   0.1883347569
C    1.4013316599   1.8904283445  -0.8651596930
C   -1.1540521703  -1.5274001504  -0.6137306427
C   -0.7052242550  -0.4148825871   1.4453564002
C    0.2850961801   2.5927969378  -0.4244477276
C    2.6349352026   2.5234278436  -0.7632270198
C   -2.4451426457  -1.8118979271  -0.2026633765
C   -1.9887614258  -0.6884183134   1.8864621954
C   -2.8488520059  -1.3804433201   1.0505837960
C    0.4492274371   3.8648798984   0.0976481005
C    1.7279241916   4.3942614020   0.1572039500
C    4.2700340943  -1.0282945338   0.9429633140
H    2.1550781225   0.2304904941  -2.0001116120
H    0.4156511885   0.4348595878  -2.0686228871
H   -0.0339366316   0.1382602354   2.0880550079
H   -0.7040412005   2.1569080588  -0.4969505075
H    3.5289899864   2.0184878653  -1.1103920945
H   -3.1159922120  -2.3684868675  -0.8418180622
H   -2.3096684533  -0.3582006369   2.8641752018
H   -0.3971124050   4.4395952139   0.4469887940
H    1.8884670321   5.3870809261   0.5600891803
H    5.2198878436  -0.6481951544   0.5729470583
H    4.2890604040  -2.1194183266   0.9116194310
H    4.1360840492  -0.7005378021   1.9757042993
*