! 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  -0.1493028731   0.1692808007  -2.6812155462
Cl   4.0533901327  -2.1296415837  -0.3517641570
O   -2.3528501709  -0.0414466060  -0.6800252760
O   -1.8948023246   0.2022215165   1.4833879300
N   -0.1235724850   2.5070967408   0.6570838401
N   -0.0699588993   2.6209148311   1.9868836537
N    1.9364695992   3.0581434591   1.0790990208
C   -1.3917982242   0.4509637051   0.1989072254
C   -2.8421456599  -1.2415004919  -0.0901703575
C   -2.7657365945  -0.9228350585   1.4061086070
C   -1.2740691027   1.9659361201  -0.0155859889
C   -0.0366434691  -0.2385823015   0.0222136016
C   -4.2310187647  -1.5547576448  -0.5996117863
C   -4.7568285630  -2.8529995059  -0.0042074067
C    0.5852009042  -0.3916885476  -1.2157338486
C    0.6621160025  -0.6822489783   1.1412550669
C    1.8372453201  -0.9741219644  -1.3420441144
C    1.9133875847  -1.2671518819   1.0464702364
C    1.0802109579   2.7547409357   0.1367648787
C    2.4898591699  -1.4090637108  -0.2024037552
C    1.1774110310   2.9561857776   2.1867895949
H   -2.1665043668  -2.0708424889  -0.3368265213
H   -3.7374028135  -0.6366581118   1.8169449933
H   -2.3745494927  -1.7566679665   1.9906827786
H   -2.1756574774   2.4607611196   0.3430596927
H   -1.1734359516   2.1874192495  -1.0762343324
H   -4.2052660023  -1.6376953013  -1.6881731281
H   -4.9031852794  -0.7286478984  -0.3532267633
H   -4.8383459542  -2.8013063719   1.0823901262
H   -5.7489204950  -3.0815710836  -0.3912087643
H   -4.1070789325  -3.6944011206  -0.2472294072
H    0.2232682250  -0.5689972702   2.1216884246
H    2.2942614596  -1.0800012725  -2.3159171398
H    2.4251268827  -1.6020123317   1.9374992082
H    1.2804426921   2.7250461525  -0.9231914718
H    1.5572479448   3.1451857891   3.1785531974
*
