! 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   0.6777574355  -0.8332531556  -2.1322606126
Cl   5.5463578280  -0.8937631855   0.0212302248
O   -1.1290980077  -0.4388084639   0.1783920532
O   -0.5567079184   0.9868282012   1.8141998353
N   -2.0457209052   2.0481435106  -0.4473889729
N   -2.6611924968   2.7670697343   0.4970348065
N   -4.1662133240   1.7393646450  -0.8155178210
C   -0.2894283889   0.6230743284   0.4847857304
C   -1.5217060433  -1.0787542673   1.3856630820
C   -1.4838135771   0.0744246010   2.3779183260
C   -2.8913437030  -1.7073781318   1.2531302002
C   -0.6283595554   1.8080203997  -0.4333434857
C    1.1813104166   0.2405079951   0.3393079815
C   -2.9895161678  -2.9133577809   0.3236817960
C    1.6827827823  -0.4208975488  -0.7818511281
C    2.0880155819   0.5590319488   1.3456488787
C   -2.9097348364  -2.5911061646  -1.1625881370
C    3.0196267399  -0.7739377059  -0.8875222160
C    3.4292556414   0.2243218939   1.2643838284
C   -2.9542477669   1.4292476319  -1.2029726683
C    3.8821309066  -0.4496014032   0.1446985606
C   -3.9226559069   2.5555128788   0.2286729397
H   -0.7824815966  -1.8446704839   1.6565231926
H   -2.4643405927   0.5527781462   2.4776714141
H   -1.1446079118  -0.2352873808   3.3667864148
H   -3.6079128278  -0.9365602895   0.9491084804
H   -3.1843754169  -2.0176298871   2.2607747280
H   -0.3051368719   1.6208506767  -1.4555318479
H   -0.1134813443   2.7027035009  -0.0881938514
H   -3.9434673023  -3.4084964353   0.5217432690
H   -2.2160365227  -3.6404652706   0.5894602126
H    1.7444797265   1.0815666949   2.2262568485
H   -3.6472640239  -1.8339722147  -1.4391902953
H   -1.9300043660  -2.2170378562  -1.4550629452
H   -3.1148865434  -3.4806037740  -1.7605000177
H    3.3782686107  -1.2956079064  -1.7638894336
H    4.1029139231   0.4847319648   2.0684978097
H   -2.6892755051   0.7882581888  -2.0283614557
H   -4.7059959015   3.0169486432   0.8092948956
*
