! 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  -0.2378316967  -0.4290136646  -2.5690863386
Cl   4.2215616070  -1.9738112931  -0.0987178253
O   -2.3095325018  -0.2801488586  -0.4629911835
O   -1.7700093484   0.3342927343   1.6027796638
N   -0.1838576951   2.5469786410   0.4027911847
N    0.9723767626   2.6811554147  -0.2540577958
N    1.1885692001   3.3829683154   1.8661184796
C   -1.3345051184   0.3847358134   0.2695501148
C   -2.7162389823  -1.3877991581   0.3342537435
C   -2.5374689814  -0.8534620143   1.7613035813
C   -1.3013477999   1.8497050605  -0.1796826892
C    0.0446237905  -0.2638528900   0.1456144878
C   -4.1317533103  -1.7933539365  -0.0081150793
C   -4.2918648581  -2.3025058346  -1.4317204138
C    0.6081684882  -0.6340805887  -1.0731068014
C    0.8271793516  -0.4298484656   1.2842796973
C    1.8856132917  -1.1664045947  -1.1573775064
C    2.1088468359  -0.9502453935   1.2304236307
C   -0.0331285115   2.9541216872   1.6650532894
C    2.6255207784  -1.3183633199   0.0018123497
C    1.7561260136   3.1876509871   0.6601363438
H   -2.0385879602  -2.2327954749   0.1568720680
H   -3.4899180404  -0.5901351874   2.2270102880
H   -2.0250240291  -1.5717140960   2.4045025455
H   -2.2294902278   2.3395577718   0.1139319852
H   -1.2114164831   1.9189566190  -1.2609157731
H   -4.8016516359  -0.9485403232   0.1753582375
H   -4.4231213329  -2.5765974546   0.6964228499
H   -4.0475326062  -1.5361689977  -2.1675384500
H   -3.6463505597  -3.1619517948  -1.6205040078
H   -5.3195464936  -2.6168690718  -1.6143894367
H    0.4328004007  -0.1421413155   2.2482955536
H    2.2963965539  -1.4505247039  -2.1160122973
H    2.6884452442  -1.0625578226   2.1357238347
H   -0.8317590405   2.9405618064   2.3891527284
H    2.7840329334   3.4348075111   0.4461103086
*
