! 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  -0.6290649377  -2.1088369767  -2.1476893767
Cl  -4.4601581344  -1.9390988504   1.5924919155
O    3.2082972461  -0.4166997974   0.0261455327
N    1.9988260835  -0.8766725733   0.4436020001
N    2.9522513112   3.7415175264  -0.4161758659
C    1.1611024674   0.5679762299  -1.3798672984
C    1.0312803070  -0.4191337993  -0.2474853448
C   -0.3170863999  -0.8220845637   0.2074183398
C    1.4103634473   1.9483409922  -0.8297404858
C   -1.1752001218  -1.5637316038  -0.6001129004
C   -0.7752002642  -0.4466217821   1.4668800418
C    0.3943688851   2.6817654805  -0.2272577430
C    2.6690231052   2.5351284026  -0.8925043451
C   -2.4493303623  -1.9154962055  -0.1894489002
C   -2.0449896155  -0.7829228734   1.9059450223
C   -2.8708827736  -1.5125761426   1.0675359710
C    0.6772999831   3.9393785211   0.2796907570
C    1.9696810424   4.4237164947   0.1621037587
C    4.2424359405  -0.9353151824   0.8429349363
H    1.9677001292   0.2779852614  -2.0545942732
H    0.2424918739   0.5753727567  -1.9657328406
H   -0.1291717616   0.1310003929   2.1140134841
H   -0.6106608382   2.2822702337  -0.1617764719
H    3.4867452818   2.0023288421  -1.3639852789
H   -3.0937822148  -2.4985105284  -0.8321788846
H   -2.3810396733  -0.4747836383   2.8857538639
H   -0.0894742678   4.5377439231   0.7515725492
H    2.2209866818   5.4054114506   0.5454873645
H    4.1287198856  -0.6274531388   1.8840897137
H    5.1705671124  -0.5228656715   0.4529907344
H    4.2912597275  -2.0249383034   0.7934838735
*
