! 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  -2.5426890378  -2.6523976891   0.0630348090
Cl  -4.3035224153   2.4342857398  -0.5440459152
O   -0.0854997731  -1.3507753050   0.9455319998
O    2.2036062926  -1.1755773627  -1.7373932003
N    2.3634608895  -0.3104787634   0.3671979983
C    0.6530461084  -1.9642403201  -0.1110331039
C   -1.0589816485  -0.4763593157   0.5669709901
C    1.8120496335  -1.0887939983  -0.5848761459
C    1.1778665685  -3.2927977213   0.3967205134
C   -3.3379592564  -0.0913668566  -0.2413688329
C   -2.2939414920  -0.9434371957   0.1240111136
C   -0.8539229289   0.8900100873   0.6640907747
C    3.4298136827   0.5932701187   0.2761339572
C   -3.0817243557   1.2755958363  -0.1287214101
C   -1.8673901301   1.7659418328   0.3232969794
C   -4.6398258706  -0.6552308357  -0.7149946484
C    4.1908334059   0.8034508792  -0.8733381689
C    3.7250717566   1.3186894418   1.4324224401
C    5.2239335099   1.7316062665  -0.8475313657
C    4.7590077319   2.2378992863   1.4429558143
C    5.5172786936   2.4528327682   0.2993921783
H    0.0149835879  -2.1281091368  -0.9836445051
H    0.3475112191  -3.9456979266   0.6624117815
H    1.8135889975  -3.1644033388   1.2729731327
H    1.7607468921  -3.7883546381  -0.3781194373
H    1.9355213899  -0.3624514299   1.2808145824
H    0.0896683017   1.2772182979   1.0234406339
H   -1.7057702270   2.8311920946   0.4064711048
H   -4.4934961945  -1.2854257529  -1.5925383083
H   -5.3502101355   0.1209857993  -0.9815837614
H   -5.1004585208  -1.2746365493   0.0550633179
H    3.9946239641   0.2597555675  -1.7821993539
H    3.1398779670   1.1600118279   2.3308970424
H    5.8070266594   1.8850547861  -1.7460910355
H    4.9697827725   2.7876571927   2.3505027912
H    6.3261254535   3.1707648097   0.3044920248
*
