! 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  -0.2814385180  -1.1186279672   2.8701892757
Cl  -4.5250744161  -2.1018436592  -0.2480448442
O    3.2988373454  -0.5495715195  -0.2166915959
N    2.0459414784  -1.0763043864  -0.2686227675
N    0.1539092094   3.4565733551  -1.6024241343
C    1.4334547337   0.9971186797   0.9372089301
C    1.1729551339  -0.3460053566   0.3032373848
C   -0.2239714140  -0.8174916919   0.1841922897
C    1.4423531228   2.0561235938  -0.1347128588
C   -0.9942389622  -1.1525647920   1.2944250063
C   -0.8216098020  -0.9067829337  -1.0698484031
C    2.6175637805   2.5595339263  -0.6783404957
C    0.2424082735   2.5497919077  -0.6382312927
C   -2.3152596295  -1.5499486986   1.1779669224
C   -2.1406007578  -1.3014119928  -1.2188310324
C   -2.8755687880  -1.6139984077  -0.0877563870
C    2.5393992042   3.5147458535  -1.6794927743
C    1.2888483328   3.9245336116  -2.1113528999
C    4.2209560292  -1.4085176503  -0.8624398230
H    0.6482882126   1.2208783923   1.6584739292
H    2.3781858171   0.9951493463   1.4807672974
H   -0.2455246064  -0.6491816724  -1.9481856134
H    3.5800604851   2.2208248530  -0.3183277482
H   -0.6986226739   2.1965102691  -0.2286552329
H   -2.8909616775  -1.8124356998   2.0542705134
H   -2.5836678948  -1.3572896560  -2.2029861050
H    3.4316659883   3.9367031127  -2.1206952750
H    1.1985265241   4.6661558566  -2.8959841867
H    4.2776771017  -2.3841073210  -0.3756218839
H    5.1902044859  -0.9204203350  -0.7878537036
H    3.9750886298  -1.5471189034  -1.9170903641
*
