! 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   0.8020165595  -1.4100230295   2.9682766957
Cl  -4.8324149351  -1.6182651488  -2.5760998561
Cl   2.8355101992  -4.9522906505  -0.5122139527
S   -0.4300165913   2.7580174386   0.5317308343
N    2.3787127085   3.0171203134  -0.2000052698
N    0.2807652781   0.2399536311   0.6173667144
N    2.9896346128   3.1774909316   0.9764088315
N    2.7908453891   5.1448200620  -0.0875405529
C    1.8476339522   1.7399821297  -0.5934796151
C   -1.8666280867   1.9236947694   1.2674298917
C    0.6124767290   1.3859280351   0.2049311797
C   -2.6091128781   1.0436276287   0.3078123319
C   -2.7102583353  -0.3238156955   0.5387926005
C   -3.2150210720   1.5763656842  -0.8259142441
C    0.9433373091  -0.9339463988   0.3176840694
C   -3.3975745567  -1.1491066266  -0.3381373307
C   -3.9017878134   0.7663761226  -1.7166168232
C    2.2550511970   4.1962574054  -0.8124068396
C    1.2133311783  -1.8392234246   1.3489053872
C    1.2512065916  -1.3286774273  -0.9848091929
C   -3.9842330830  -0.5942788995  -1.4634939920
C    1.8030065137  -3.0664869452   1.1068617158
C    1.8293858776  -2.5579420111  -1.2506083795
C    2.1080770613  -3.4148928867  -0.1994243539
C    3.2186716884   4.4631098938   0.9922197440
H    2.6174630982   0.9798739742  -0.4678246005
H    1.5998869271   1.7903218393  -1.6544008644
H   -2.4949443260   2.7453082530   1.6158623437
H   -1.5355066183   1.3685617839   2.1436160085
H   -2.2362040277  -0.7574080431   1.4093192383
H   -3.1486116060   2.6381941881  -1.0293994563
H   -3.4639469798  -2.2111337699  -0.1456971239
H   -4.3658183673   1.1938807355  -2.5947841213
H    1.7858805675   4.3083479032  -1.7772063801
H    1.0070370929  -0.6755670955  -1.8126011230
H    2.0131570010  -3.7413674694   1.9246759700
H    2.0520650916  -2.8390503412  -2.2703210199
H    3.7251543978   4.9337088945   1.8198243329
*