! 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   2.0914296636  -1.1525103296   3.0692740110
Cl  -3.6539958045  -0.7366507337  -3.7932671723
Cl   2.7991508689  -4.9009674497  -0.7093473445
S   -0.7382847176   2.3651689257   1.7142586980
N    1.7957901347   2.7763892064   0.2818412517
N   -0.0711282082  -0.1183560465   1.2111308259
N    1.3959301989   2.8594215359  -0.9886681211
N    1.7941886885   4.9029966228  -0.1485810182
C    1.7677396747   1.5242775179   0.9842036079
C   -2.3383447724   1.5112296736   1.6264379015
C    0.3525535850   1.0694406684   1.2678236224
C   -2.6534360456   0.9606310981   0.2657985540
C   -2.5609112769   1.7504618590  -0.8756237850
C   -3.0609196461  -0.3614862303   0.1296213886
C    0.6806597272  -1.1956171400   0.7646706927
C   -2.8677089970   1.2368152737  -2.1257324196
C   -3.3769812209  -0.8917202676  -1.1122646735
C    2.0125975049   3.9989948005   0.7719081930
C    1.6717358076  -1.8122331498   1.5276432183
C    0.3622410006  -1.7623031509  -0.4699662292
C   -3.2731656023  -0.0846517955  -2.2329499034
C    2.3262373841  -2.9517559049   1.0855372097
C    1.0115639724  -2.8893879633  -0.9355425419
C    1.9893945062  -3.4790345257  -0.1483388326
C    1.4198931984   4.1480713698  -1.2000827722
H    2.3036932487   1.6492241077   1.9258668469
H    2.2992094396   0.7727470719   0.4012991052
H   -3.0559248116   2.2833459661   1.9117930653
H   -2.3788273249   0.7339735271   2.3872500152
H   -2.2339148402   2.7797530638  -0.8002415957
H   -3.1274754557  -0.9974057799   1.0028658222
H   -2.7886012984   1.8618376916  -3.0046903846
H   -3.6877413204  -1.9238646450  -1.1999199035
H    2.3344134270   4.1761069860   1.7862673529
H   -0.4175800387  -1.3023884858  -1.0628933636
H    3.0887749589  -3.4134557686   1.6971955364
H    0.7502327813  -3.3049286442  -1.8985992139
H    1.1588420494   4.5666928162  -2.1589686854
*