! 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  -5.7575696346  -0.5849573415   1.4813730957
S    1.8619133324  -0.6819428173  -1.6653829800
O    2.3985114079   2.2330503485   1.1427233351
O    1.9570405406   0.7386199031  -1.9498084848
O    2.3395247121  -1.6403011019  -2.6388458642
O    0.5403108163   1.0441474541   0.7692100668
O    0.4419666025  -3.1019259149  -0.7607035152
O   -2.6902490970   2.3253050528  -1.1823762162
N    0.2378642426  -0.9350169233  -1.4062395126
N   -1.5233955028  -2.0605383597  -0.3863623423
N   -2.1003758348   0.1491698870  -0.8250082291
N   -3.4925836151  -1.2753793372   0.4386815828
C    2.6662425455  -1.0083940537  -0.1176692935
C    2.6299474513  -0.0733250189   0.9195313511
C    3.4279240865  -2.1613771172  -0.0158265968
C    3.3821808596  -0.3168150646   2.0598620021
C    4.1526682893  -2.4007569155   1.1423244095
C    4.1325405581  -1.4789657471   2.1745098412
C    1.7353426646   1.1219420108   0.9116724877
C   -0.2292665653  -2.0954724714  -0.8504663278
C    1.6421565444   3.4592010017   1.2424515780
C   -2.4010630699  -1.0084696040  -0.2567921777
C    2.6103094888   4.5707521412   1.5488950264
C   -2.9483708030   1.1483108129  -0.6557281370
C   -4.1335999426   0.9939266028   0.0672378333
C   -4.3295646900  -0.2648055013   0.5787139411
C   -1.4740783382   2.5082676438  -1.9100475732
H    3.4710818993  -2.8706762656  -0.8288063972
H    3.3695258877   0.3926700978   2.8759227475
H   -0.3677489445  -0.1066690263  -1.3433356620
H    4.7384328580  -3.3050548332   1.2269000869
H    4.7026474909  -1.6584671338   3.0752923947
H   -1.8320781284  -2.9285769224   0.0320564989
H    0.8934133603   3.3597980878   2.0297220457
H    1.1247282981   3.6377771319   0.2979395852
H    2.0590418631   5.5084340097   1.6147339047
H    3.1158958986   4.4137949623   2.5019401810
H    3.3610495090   4.6801514293   0.7660414904
H   -4.8313946584   1.8052980951   0.2054498185
H   -0.6055781957   2.3699695209  -1.2666162184
H   -1.4949460090   3.5354971000  -2.2612081901
H   -1.4144464213   1.8388261595  -2.7676302598
*