! 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   2.3676077635  -0.4289327923   1.5300291486
Cl   2.7144915286   4.6307153877  -0.0931376592
O   -1.6257902498  -0.3795664879  -0.5766654778
O   -0.4933923487  -1.1217263775   1.2011070760
N   -0.3338279568  -2.8655882649  -1.0142672218
N    0.0067282280  -3.8811472942  -0.2163565713
N   -1.8423694391  -4.3857124415  -1.3843829512
C   -0.3341543273  -0.5946756970  -0.0791426407
C   -2.5666762616  -0.4098867991   0.5004780526
C   -1.6656675942  -0.5246384241   1.7227221743
C    0.3646368781  -1.6082398126  -0.9881714924
C    0.4538113250   0.7157041513  -0.0600965857
C   -3.4590982124   0.8118690752   0.4992162595
C   -4.3223820173   0.9318182553  -0.7463398072
C    1.6541910400   0.8695150430   0.6326722604
C   -0.0079563489   1.8133300782  -0.7802144607
C    2.3532764927   2.0672859423   0.6300083684
C    0.6705784484   3.0200774791  -0.8041429199
C   -1.4403761485  -3.1766029120  -1.6905609314
C    1.8488257774   3.1359889341  -0.0893032636
C   -0.9191604413  -4.7639740644  -0.4803472316
H   -3.1770140175  -1.3136309184   0.3869322505
H   -1.4496377698   0.4587100546   2.1590723066
H   -2.0736174985  -1.1671676634   2.5008828251
H    1.3853761150  -1.7953275022  -0.6644647972
H    0.4104646128  -1.2040432477  -1.9988580045
H   -4.0997932318   0.7464081738   1.3832762418
H   -2.8484535857   1.7102335837   0.6271872343
H   -3.7196863258   1.0461511133  -1.6476919867
H   -4.9538097498   0.0516019979  -0.8781406805
H   -4.9786783564   1.7994104560  -0.6807786228
H   -0.9267817547   1.7324976087  -1.3426276079
H    3.2781594991   2.1596048399   1.1818012418
H    0.2790244036   3.8516956045  -1.3725456431
H   -1.9013401132  -2.5135214038  -2.4039728990
H   -0.9272453312  -5.7304248481  -0.0014236401
*