! 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   2.0557880653  -0.5329401683  -2.6986566192
Cl  -7.4376686380  -2.0715303807   1.6066816939
O    2.4053410100   0.9376956405   1.5611827762
O    3.3093631335  -0.3284560182  -0.0622216780
O   -2.8143498843  -0.5974593226  -1.6744788503
N    4.1556294450   2.4194978920  -0.0819012557
N    5.2563112070   1.9970399441  -0.7106286237
N    5.7999610531   3.1249804648   1.1529156009
C    2.4031524841   0.7121522789   0.1791100437
C    3.0730003277  -0.1376611520   2.2195562234
C    2.8370760179   2.0234952708  -0.4970208620
C    4.0190132321  -0.6148370778   1.1310118744
C    1.0151167746   0.3319232563  -0.3200426230
C    2.1117028972  -1.2036053638   2.7049000181
C    0.7746144534  -0.2301304405  -1.5725778347
C   -0.0976413834   0.5978165122   0.4727278597
C   -0.5026713346  -0.5629866837  -1.9925417317
C   -1.3878096464   0.3003535648   0.0688783560
C   -1.5840865017  -0.2982257455  -1.1667147641
C    4.4966083619   3.0753177681   1.0291297529
C    6.2089543040   2.4458407198   0.0639533576
C   -3.8562881906  -0.9311584499  -0.8475574232
C   -5.1050216556  -0.4254375083  -1.1760999631
C   -3.7040660891  -1.7928204342   0.2305941736
C   -6.2135408896  -0.7822540468  -0.4249942058
C   -4.8099716804  -2.1380742108   0.9909304980
C   -6.0567872115  -1.6317116795   0.6583342008
H    3.6155781051   0.2903594548   3.0636768285
H    2.1357055624   2.8135100480  -0.2300521408
H    2.8302613514   1.9292322378  -1.5803474235
H    4.9793957392  -0.0898451334   1.1601205314
H    4.2155323905  -1.6866316230   1.1744685704
H    2.6573022985  -1.9468316673   3.2873516819
H    1.6195236313  -1.7216984898   1.8802386608
H    1.3437928468  -0.7762097556   3.3497171505
H    0.0389113264   1.0606211161   1.4392112786
H   -0.6618829946  -1.0158316328  -2.9620534113
H   -2.2180413063   0.5439372153   0.7178326788
H    3.7737011641   3.5169148606   1.6957902162
H    7.2491459069   2.2859564669  -0.1724118806
H   -5.2161448656   0.2400020743  -2.0220594225
H   -2.7371119492  -2.2054488486   0.4872411630
H   -7.1872872179  -0.3910225380  -0.6853754287
H   -4.6923503481  -2.8062370292   1.8327274333
*
