! 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   0.3965731475  -1.0092902914   2.2873679989
Cl   0.4480449869  -5.2001311878  -0.9978664422
O   -0.4945468600   1.2433952470   0.6199655992
O    0.1552247098   1.4277201190  -1.4940344840
N    1.8840914969   2.6923056521   0.4227849323
N    1.7767994854   3.1641593878   1.6675895793
N    1.8045452216   4.8511564960   0.1878950588
C    0.4712945497   0.8062925978  -0.2829155219
C   -1.7067959500   1.4815936561  -0.0906430961
C   -1.2590817177   1.5011116407  -1.5612020265
C   -2.7636443156   0.4332761955   0.2073800174
C    1.8599596489   1.2809342473   0.1454656194
C    0.4696110989  -0.7159239872  -0.4314922536
C   -4.0961850135   0.7647719884  -0.4541468779
C    0.4253640326  -1.5866682053   0.6564201515
C    0.5378208163  -1.2859416116  -1.6990140254
C   -5.1536164188  -0.2937738725  -0.1836442426
C    0.4185073571  -2.9634740515   0.4922200544
C    0.5314624835  -2.6568954322  -1.8935750361
C    1.8874115272   3.7059475760  -0.4437230323
C    0.4650156762  -3.4857090233  -0.7882667061
C    1.7389167766   4.4552133398   1.4729174803
H   -2.0726369958   2.4646141808   0.2196610581
H   -1.6661241451   0.6509194835  -2.1203226746
H   -1.5341738875   2.4166383963  -2.0825506061
H   -2.9035022489   0.3632871962   1.2894579914
H   -2.4175491911  -0.5491361962  -0.1310331084
H    2.5713053153   1.0550662560  -0.6487048056
H    2.1928611442   0.7598324946   1.0397360453
H   -3.9645145485   0.8712184549  -1.5355027385
H   -4.4476021543   1.7364076673  -0.0950196060
H    0.5945956248  -0.6469085802  -2.5688368003
H   -4.8461330368  -1.2671842514  -0.5698049038
H   -5.3367850412  -0.4075936368   0.8862988605
H   -6.1029483956  -0.0375052574  -0.6549038657
H    0.3778966612  -3.6148593478   1.3539805762
H    0.5773910690  -3.0639899915  -2.8936298752
H    1.9727552640   3.5719474233  -1.5096219275
H    1.6659541472   5.1460743895   2.2981229177
*