! 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   0.3135602510   0.9052689892  -1.9125340934
Cl   4.4659176880  -2.0716786368  -0.4552473193
O   -1.9909106698   0.0389181716  -0.4151458102
O   -1.8703046049  -1.3005729300   1.3502213806
N   -0.4186404692   2.0408081987   1.1507399743
N   -0.9969043767   2.9855164808   0.4053618387
N    1.2017077516   3.3887093641   0.6220136370
C   -1.1987046301  -0.2698657059   0.6815867301
C   -2.6829020357  -1.1401850143  -0.8238919606
C   -2.4203809772  -2.1189140395   0.3303153989
C   -1.1455995146   0.9083341287   1.6589558497
C    0.2131367667  -0.7246407468   0.2954550782
C   -4.1463905053  -0.8197132770  -1.0692055159
C   -4.8829977173  -0.2364418206   0.1264792572
C    0.9436253403  -0.2514801143  -0.7931128633
C    0.8563449995  -1.6225958339   1.1467067501
C    2.2482964798  -0.6663672977  -1.0311350778
C    2.1542927218  -2.0494320802   0.9354356170
C    0.8876326724   2.2898407664   1.2599844605
C    2.8412099812  -1.5630673636  -0.1632769563
C    0.0109448425   3.7651441992   0.1182556769
H   -2.2393266960  -1.5203551749  -1.7494976976
H   -3.3220555674  -2.5948186167   0.7150321357
H   -1.7182373876  -2.9049793814   0.0371448242
H   -0.6631801171   0.5834209156   2.5811064671
H   -2.1591159510   1.2267527007   1.9025767978
H   -4.6285847101  -1.7466509643  -1.3908158999
H   -4.2202741509  -0.1353588209  -1.9181323471
H   -4.4607334083   0.7187122483   0.4380571934
H   -5.9293099504  -0.0616983618  -0.1250657393
H   -4.8725367495  -0.9039708452   0.9894452088
H    0.3304257455  -2.0047600742   2.0104494867
H    2.7905633983  -0.2841085616  -1.8845217311
H    2.6167618426  -2.7469401424   1.6190834671
H    1.5582985135   1.6653357535   1.8292031553
H   -0.1181778358   4.6532203914  -0.4797952561
*
