! 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   0.6448228706  -1.2436783664  -2.1692250543
Cl   5.2056620453  -0.5586049454   0.5407739658
O   -1.1716094701   1.3099149802   0.9087963244
N   -2.8791069621  -0.9799279865   0.5478927245
N   -4.8478838626  -0.8717542439  -0.4426857891
C   -0.7593284334   0.2035098447   0.1439246128
C   -1.4426631659  -1.0636599673   0.6672016955
C    0.7369817102   0.0265985236   0.2293733688
C    1.4569715576  -0.6274551499  -0.7655279069
C    1.4467981460   0.4810709253   1.3367643747
C   -3.7489671839  -0.4678140427   1.4703865398
C   -3.5858842866  -1.1843254336  -0.5852625809
C   -2.0531847196   2.1995926664   0.2592717901
C    2.8281310789  -0.8133788316  -0.6875294502
C    2.8159121242   0.3072047921   1.4471969003
C    3.4953497765  -0.3376385430   0.4273645175
C   -4.9585087479  -0.4175433207   0.8433168133
C   -1.3941045244   3.1478960034  -0.6888043654
C   -0.0908361618   3.2975711273  -0.8860422663
H   -1.0406746586   0.3433196143  -0.9065658855
H   -1.0965173768  -1.9384062836   0.1164431508
H   -1.1871644440  -1.2214383693   1.7147981088
H    0.9258173750   0.9914970030   2.1345977803
H   -3.4414988169  -0.2041312063   2.4681209726
H   -3.1322140494  -1.5830402083  -1.4800338583
H   -2.8498289482   1.6620350337  -0.2716369480
H   -2.5571290152   2.7685269344   1.0459414356
H    3.3604572834  -1.3187035224  -1.4809965626
H    3.3407446974   0.6730472765   2.3182797051
H   -5.8999361879  -0.0865969478   1.2520159876
H   -2.0928986512   3.7633015919  -1.2474860398
H    0.2793908382   4.0196793282  -1.6018776102
H    0.6569755865   2.7207578034  -0.3571792958
*
