! 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   0.6619546189  -1.4429715511   2.4274019784
Cl   4.3635013987  -1.5958378511  -1.3972084288
O   -1.9366423620   0.4059050985  -0.7676101304
O   -1.9033081034  -0.9546946568   1.0110892487
N   -0.3536910122   2.3379496194   0.7245216982
N   -0.9093034861   3.2075831363  -0.1237163159
N    1.2982065102   3.5799975299   0.0496462921
C   -1.1867699844   0.0486502432   0.3586408956
C   -2.9841586522  -0.5455102541  -0.9744481187
C   -2.6074503553  -1.6551336908  -0.0016665559
C   -1.0943614006   1.2518502573   1.3094357685
C    0.2032738428  -0.4216735194  -0.0721336388
C   -4.3332489363   0.0994049325  -0.7047033514
C   -5.4944415243  -0.7985736841  -1.1017022983
C    1.0868679298  -1.0718358385   0.7891950084
C    0.6623899275  -0.1409937953  -1.3557246219
C    2.3632114187  -1.4400217717   0.3908760619
C    1.9317280077  -0.4943086793  -1.7803528379
C    0.9589517285   2.5667220493   0.8053760261
C    2.7734061608  -1.1451216882  -0.8971320852
C    0.1161274626   3.9283461055  -0.4931406652
H   -2.9375740788  -0.8939567242  -2.0096996530
H   -3.4607594310  -2.1559173771   0.4536950337
H   -1.9726744897  -2.4123283023  -0.4734509978
H   -0.6034440804   0.9699526734   2.2390128106
H   -2.0969614969   1.5980535837   1.5548544311
H   -4.3891062703   1.0334700318  -1.2684692408
H   -4.4087147711   0.3651672037   0.3536490795
H   -6.4465596766  -0.3075105218  -0.9046107363
H   -5.4645563566  -1.0418936881  -2.1648353097
H   -5.4965337028  -1.7383593824  -0.5478180080
H    0.0133772005   0.3703112028  -2.0514071283
H    3.0244973926  -1.9468916401   1.0797492656
H    2.2529725579  -0.2604691947  -2.7853012098
H    1.6185029008   1.9925529034   1.4371726500
H    0.0051090103   4.7501381759  -1.1825699335
*