! 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   4.4097006990   2.3168238579   0.5140998680
S    1.0176097703  -1.5872924205  -1.5158953501
O    1.4288397435  -2.9705080800  -1.5722180912
O    0.6536689561  -0.9058078816  -2.7362713661
O    1.8563053197   2.9278126884  -0.9312479492
O    0.1968873793   1.4340804618  -1.0327762463
O    0.7655422612  -2.3107731933   1.2986610833
O   -5.1675639164   0.5510481071   2.9524101400
O   -3.9416079863   0.7314891850  -1.5197056241
N    3.4466231837  -1.2001615616  -0.2608084509
N   -0.2817099610  -1.4306557005  -0.5118133267
N    4.2689857587  -0.2669664083   0.1930384330
N   -1.2866530000  -1.4130453854   1.5808519988
N   -3.2258839787  -0.4453524183   2.2698162318
N   -2.6037545615  -0.3388594647  -0.0041512801
C    2.3032804082  -0.6655842551  -0.7202824029
C    2.3910473685   0.7123562317  -0.5634816631
C    3.6554129797   0.8787979167   0.0156500144
C    3.8875179629  -2.5852279190  -0.1886642340
C    1.3605172460   1.7099218099  -0.8706838773
C   -0.2029863877  -1.7579666393   0.8178318315
C   -2.4226817902  -0.6979861608   1.2543267682
C   -4.3196639312   0.2483371410   1.9842026374
C   -3.7080088634   0.3507315446  -0.2761009707
C    0.9353861548   3.9972756804  -1.1651240856
C   -4.6288976495   0.6843770696   0.7014817621
C   -4.8728236984   0.1431400673   4.2869378642
C   -2.9985194502   0.3965945615  -2.5371307182
H   -1.0768359730  -0.8425476386  -0.8082385036
H    4.8073628695  -2.5881462660   0.3846255188
H    3.1502324717  -3.1961616614   0.3187440356
H    4.0852031308  -2.9801488880  -1.1803708225
H   -1.1998928257  -1.6591253139   2.5583459804
H    0.2000082604   4.0666662586  -0.3643713487
H    1.5328549631   4.9033343326  -1.1853334670
H    0.4252716545   3.8795099378  -2.1202837047
H   -5.5236213924   1.2483953711   0.4830171050
H   -3.9318544250   0.5643469353   4.6388543691
H   -4.8401660786  -0.9419094531   4.3785956156
H   -5.6857656924   0.5285770914   4.8957468433
H   -3.4237267397   0.7694936079  -3.4645483926
H   -2.8602819984  -0.6814283610  -2.6219373659
H   -2.0390581256   0.8841606982  -2.3673554756
*