! 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   1.6077858537  -0.4022199820   2.2010282067
Cl   4.0032808577  -3.5965849312  -1.3264772613
O   -1.2934602749   0.4353914029  -1.1540231962
O   -1.0652667964   0.0292150755   1.0472505831
N   -0.7510498475   2.7478849963   0.4746317681
N   -1.5882656469   3.3719984091  -0.3595375049
N   -2.1564575974   3.7787234171   1.7742779962
C   -0.3658918453   0.3981546172  -0.1134105398
C   -2.4724575845  -0.2591430455  -0.7578817744
C   -2.4487871350  -0.0658744765   0.7474143697
C    0.2367303295   1.8060161700   0.0221648721
C    0.7400802981  -0.6145611849  -0.3864139314
C   -3.6781201399   0.3309682771  -1.4550079113
C   -4.9650771141  -0.3607990184  -1.0291111805
C    1.6541071109  -1.0232266618   0.5840429232
C    0.8826703776  -1.1516561319  -1.6614268279
C    2.6576683001  -1.9379534891   0.3052489121
C    1.8747418117  -2.0681085090  -1.9681544356
C   -1.1132240564   2.9872500918   1.7361520451
C    2.7549847881  -2.4555920397  -0.9745046476
C   -2.4043403821   3.9747521370   0.4643929656
H   -2.3779714002  -1.3243586412  -1.0076039132
H   -2.9793661552   0.8460653382   1.0476784979
H   -2.8710941641  -0.9068717356   1.2963775425
H    0.6320456740   2.1346438070  -0.9374924228
H    1.0612555376   1.8122450440   0.7322121741
H   -3.5520375467   0.2340149678  -2.5355825696
H   -3.7315485501   1.4001490716  -1.2320497190
H   -5.8169097458   0.0414115438  -1.5762808103
H   -4.9266216427  -1.4337510392  -1.2234870782
H   -5.1706282744  -0.2236716401   0.0338374555
H    0.2016020180  -0.8522160462  -2.4449126447
H    3.3507933892  -2.2391578508   1.0780046061
H    1.9529655512  -2.4682514383  -2.9690455808
H   -0.5819916951   2.5871537129   2.5849874401
H   -3.2112413934   4.5940674546   0.1054941547
*
