! 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   1.3142927837   1.1911403020  -2.6675112873
S    1.4979703519   1.3948187538   0.7508770734
O    2.0580277075   1.3500290493   2.0859311420
O    1.2142786668   2.6738179393   0.1355390026
O    0.8869123445  -1.3760509911   1.3843417985
O   -3.7278840707   2.4079127744  -0.2288948637
O   -5.7902101793  -1.7963280456   0.2279581307
N    3.5169720007  -0.4050545222   0.0499519913
N    3.3123155257  -0.4684241300  -2.1832275500
N    0.0326026143   0.6114152709   0.7168223846
N   -1.3225745879  -1.2631458858   0.9340273137
N   -2.5709077773   0.5968707008   0.3195877236
N   -3.5480994943  -1.5392744942   0.5783974942
C    2.5010117806   0.4657265813  -0.3015380037
C    3.9788099670  -0.9441347160  -1.1302257925
C    2.4252752185   0.3707798564  -1.6784441237
C    4.0332798178  -0.7672992530   1.2574979588
C    5.0240481618  -1.8755294861  -1.1012174957
C    5.0460720813  -1.6716204877   1.2936339271
C    5.5525008479  -2.2353147764   0.1049876801
C   -0.0724268251  -0.7122098826   1.0417229952
C   -2.5301613591  -0.6908345496   0.5900228326
C   -3.7673830593   1.1087300874   0.0169877896
C   -4.7224207679  -1.0205136066   0.2689556670
C   -4.9082445523   0.3318124311  -0.0231795716
C   -4.9442346633   3.0801597782  -0.5368882727
C   -5.6477499386  -3.1887928871   0.5049405909
H    3.6220568190  -0.3121639803   2.1404797342
H    5.3803296151  -2.2860609798  -2.0343666693
H   -0.8198771144   1.1217774741   0.4451848162
H    5.4534734891  -1.9499917141   2.2537611283
H    6.3594335321  -2.9522694710   0.1528026680
H   -1.3610883057  -2.2495749529   1.1539641732
H   -5.8868191355   0.7171742459  -0.2648952297
H   -4.6819188014   4.1225965839  -0.6915087074
H   -5.6571308380   3.0106860792   0.2859477934
H   -5.3975603069   2.6891483616  -1.4487893155
H   -6.6449797071  -3.6084226306   0.4096961181
H   -5.2799002657  -3.3628374663   1.5153017847
H   -4.9845002975  -3.6744072244  -0.2099236477
*