! 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   0.3028881306   0.5854785221   1.9931910392
Cl  -7.0351817622  -2.7464877158   1.0155106832
O    2.9581133507  -0.0507435761   0.8959044208
O    3.4665227613   0.3918228702  -1.2180488269
O   -2.7470112738  -0.1211854633  -1.9889912014
N    4.1477051143   2.5003916842   0.5310974111
N    5.0589007263   2.9045389948  -0.3574033994
N    6.0094159524   2.5755219863   1.6485970471
C    2.5871977363   0.7401266825  -0.1905565170
C    3.4644821092  -1.2884581467   0.4003559052
C    2.7889713657   2.2142640515   0.1552475045
C    3.7061488202  -0.9993325442  -1.0892859981
C    1.1366997589   0.5050444690  -0.6109236504
C    2.5085522903  -2.4344951654   0.6447999640
C    0.0741856858   0.4101208954   0.2843946474
C    0.8243714134   0.4075926375  -1.9650812438
C   -1.2302743422   0.1952333209  -0.1354407150
C   -0.4629561305   0.1811675071  -2.4138676960
C   -1.4915520326   0.0651307765  -1.4913399086
C    4.7305275974   2.2989397324   1.7125621277
C    6.1502768308   2.9356098198   0.3592215318
C   -3.7123464836  -0.7416023204  -1.2349735715
C   -3.4749640143  -1.9493555120  -0.5929518792
C   -4.9649575963  -0.1516485213  -1.1925330206
C   -4.5006332298  -2.5640452631   0.1066452073
C   -5.9957627088  -0.7734135449  -0.5047106144
C   -5.7536231334  -1.9721231199   0.1455503707
H    4.4059911041  -1.4797394542   0.9194052178
H    2.1311406870   2.4993312496   0.9747376438
H    2.5293200317   2.8358963290  -0.6995119878
H    4.7285488079  -1.2056699617  -1.4021546995
H    3.0275412797  -1.5776061946  -1.7257754110
H    2.3141613651  -2.5686224645   1.7086023165
H    2.9444024310  -3.3616301376   0.2692374299
H    1.5552512188  -2.2841940097   0.1358561648
H    1.6126096902   0.4978869217  -2.6992987645
H   -2.0244300458   0.1398864318   0.5970192262
H   -0.6668415609   0.0969716725  -3.4730591209
H    4.1910401354   1.9754892487   2.5880958702
H    7.0931225536   3.2431299023  -0.0654355603
H   -2.5030529441  -2.4234964936  -0.6340900746
H   -5.1426219436   0.7868968947  -1.7004518378
H   -4.3177129242  -3.5034149864   0.6093329734
H   -6.9746077209  -0.3155971806  -0.4752379250
*
