! 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  -0.3637165482  -1.3126159133   1.0930532896
Cl  -4.7628632400  -2.1546885542   1.0663464662
Cl   2.9719781153  -4.7925633161  -1.2643430456
S   -0.2244169342   2.9226356044  -0.2267940632
N    2.3123406078   2.6899469784   1.1371921552
N    0.4532854334   0.5441310510  -1.1119306559
N    1.9092688661   3.2895358753   2.2621851638
N    3.2417118403   4.6510966206   1.0736794189
C    1.8362280218   1.3907956674   0.7453173418
C   -1.6503928484   2.4389276130  -1.2436825596
C    0.7291648966   1.4574874820  -0.2827005101
C   -2.4307664256   1.2965413902  -0.6641590823
C   -2.6522229814   0.1453109136  -1.4100299213
C   -2.9526344998   1.3676764638   0.6234588466
C    1.0918548753  -0.6896678115  -1.0994561570
C   -3.3766733759  -0.9166784968  -0.8908807956
C   -3.6735721609   0.3143955841   1.1618005144
C    3.0950712331   3.5162051936   0.4398669616
C    0.7753363640  -1.6688591932  -0.1538817351
C    2.0003539028  -1.0225052101  -2.1027941717
C   -3.8752010967  -0.8232466146   0.3966123858
C    1.3472591020  -2.9304314094  -0.1978658087
C    2.5880319853  -2.2734228262  -2.1573563829
C    2.2545485037  -3.2205525581  -1.2020873569
C    2.4952263609   4.4537410117   2.1771418623
H    1.4689840925   0.8848414193   1.6385332246
H    2.6709381575   0.8069705622   0.3572693938
H   -1.3171627257   2.2247191622  -2.2576985881
H   -2.2540694481   3.3477263912  -1.2859180866
H   -2.2509022664   0.0655556479  -2.4115444647
H   -2.7911935540   2.2519879668   1.2275284817
H   -3.5353799983  -1.8072608853  -1.4834080890
H   -4.0706270267   0.3833461979   2.1652204489
H    3.5349196805   3.2465247823  -0.5075944767
H    2.2462250522  -0.2837249468  -2.8536586251
H    1.0866632477  -3.6710142374   0.5455015188
H    3.2953111524  -2.5027302324  -2.9420885295
H    2.3827672424   5.1955701550   2.9517453520
*