! 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   1.5732387711   1.7682718728   1.9807580242
Cl   4.4430835890  -0.4954331811  -1.8932344439
O   -1.8350405908  -0.6558072898   0.3043765235
O   -0.9324295045   0.2141404692   2.1453757874
N   -1.3384350464   1.9329177816  -1.0504532700
N   -0.2923448474   2.6020175414  -1.5437617211
N   -1.5067068011   1.7083534767  -3.2056350235
C   -0.9357033992   0.3118617906   0.7498440963
C   -1.7115003015  -1.7726023147   1.1825706006
C   -1.3160552216  -1.1065347334   2.5047156521
C   -3.0123087571  -2.5436012241   1.2222160193
C   -1.4785743883   1.6923427477   0.3632978064
C    0.4498746327   0.0799079395   0.1466827925
C   -2.9264628497  -3.7620182120   2.1344184204
C    1.6035595201   0.7013716128   0.6176821822
C    0.5761976477  -0.7138178198  -0.9898195337
C   -4.2267463042  -4.5491888650   2.1648852916
C    2.8339147828   0.5269155749   0.0025165821
C    1.7895824111  -0.9039283101  -1.6279412888
C   -2.0419851461   1.3988473434  -2.0503144547
C    2.9132447167  -0.2785342698  -1.1192417311
C   -0.4405094879   2.4406862505  -2.8313930978
H   -0.9056533234  -2.4304459260   0.8332314612
H   -2.1534092810  -1.0470967417   3.2049784532
H   -0.4912076022  -1.6274700694   2.9938630359
H   -3.2666509264  -2.8689716713   0.2095284052
H   -3.8155434498  -1.8807060305   1.5597216203
H   -0.9414929723   2.4772925750   0.8895656973
H   -2.5304222515   1.7575727139   0.6412195107
H   -2.6708678668  -3.4511137987   3.1518999558
H   -2.1122242222  -4.4112656214   1.8001118081
H   -0.2966236262  -1.2008954721  -1.4013162671
H   -4.4998063753  -4.9024810602   1.1690781259
H   -4.1467523708  -5.4215548115   2.8139258398
H   -5.0515560582  -3.9379862392   2.5351271382
H    3.7130419037   1.0211118049   0.3912918402
H    1.8485932340  -1.5284659253  -2.5079649964
H   -2.9350142500   0.8148842263  -1.8968452166
H    0.2482092894   2.8790509504  -3.5362321575
*
