! 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   1.4014525771   1.7329913946   2.0290167741
Cl   4.6681425494  -0.1035421622  -1.7568361689
O   -1.6549994642  -0.9576940406   0.0903902657
O   -0.9277685705  -0.1156741416   2.0211284314
N   -1.3746893739   1.7373988191  -1.0843197486
N   -0.3763190819   2.5226460392  -1.5015579978
N   -1.4269136930   1.5917020283  -3.2522837637
C   -0.8800721766   0.0713771029   0.6412505944
C   -1.7459835024  -2.0355982257   1.0279157367
C   -0.9234193354  -1.5201059094   2.2111470323
C   -3.2047605390  -2.3069741337   1.3489630039
C   -1.5428970165   1.4136553676   0.3090789123
C    0.5443714729   0.0048958808   0.0904016829
C   -3.3960100410  -3.5581938321   2.1965676759
C    1.6046168207   0.7257749016   0.6351960315
C    0.8060793379  -0.7430062221  -1.0531446630
C   -4.8584903545  -3.8106377470   2.5284219032
C    2.8744788248   0.6938587103   0.0805425585
C    2.0623030535  -0.7895484131  -1.6335497104
C   -1.9775042925   1.1802365050  -2.1369665770
C    3.0893009902  -0.0669911544  -1.0551089547
C   -0.4533317053   2.4053098833  -2.8002796151
H   -1.2862058583  -2.9281827840   0.5925248904
H   -1.3657550297  -1.7383698726   3.1825006122
H    0.0967700516  -1.9169039091   2.2003192132
H   -3.7560648527  -2.4230286099   0.4112294192
H   -3.6319026796  -1.4388403913   1.8623275083
H   -1.1086986337   2.2199236063   0.8946558544
H   -2.6053704678   1.3591881743   0.5452394540
H   -2.8271457406  -3.4738702025   3.1272488602
H   -2.9850425358  -4.4223985185   1.6669167201
H    0.0084684627  -1.3073455781  -1.5140986937
H   -4.9804156200  -4.7166194447   3.1227525392
H   -5.2837922894  -2.9829796972   3.0987363306
H   -5.4568835181  -3.9278969819   1.6231788994
H    3.6796740276   1.2608262674   0.5263759904
H    2.2285258639  -1.3813927485  -2.5224988917
H   -2.8151337623   0.5075154224  -2.0482946569
H    0.2206235261   2.9373095606  -3.4530963170
*
