! 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  -1.3433317351   0.1670344689  -1.7734533873
Cl   2.3436060898   2.6998823010  -2.5319387414
Cl   0.1504592332   4.6977925139   0.6643047206
S    0.9330245762  -1.8222883548   2.4592161625
N   -2.0324849611  -3.5349686787   0.2798994517
N   -1.1590713627  -1.0433542248   0.8487471863
N   -3.2911190248  -3.6570568624   0.7107325336
N   -3.2386977290  -3.4291964038  -1.5219501766
C   -0.9299758541  -3.4019648672   1.1890736786
C    2.2311752139  -2.0118954418   1.1802323402
C   -0.5127377304  -1.9713831229   1.3991627995
C    2.2861458078  -0.8452275194   0.2468074986
C    2.6202373383   0.4234835685   0.7192474380
C    1.9842615188  -1.0007364392  -1.0984927875
C   -0.8497754378   0.3073446133   0.8795210240
C    2.6528844570   1.5122133573  -0.1298617995
C    2.0167160844   0.0825927612  -1.9678188692
C   -2.0216896367  -3.3767219726  -1.0432306113
C   -0.9046344358   1.0033958824  -0.3313597423
C   -0.5584497755   1.0284119576   2.0353688652
C    2.3453448556   1.3293300491  -1.4717710367
C   -0.5997314727   2.3501328021  -0.4090527482
C   -0.2704750437   2.3804055357   1.9809501554
C   -0.2701894786   3.0233960261   0.7544172820
C   -3.9704235989  -3.5993922242  -0.4036787843
H   -0.0778802518  -3.9704687430   0.8111926314
H   -1.2046240991  -3.8574870290   2.1396912332
H    2.0853672887  -2.9514837919   0.6474487730
H    3.1524138608  -2.1093400754   1.7567594506
H    2.8419714923   0.5676340290   1.7692446641
H    1.7167822776  -1.9763245091  -1.4854240504
H    2.9024858656   2.4936336010   0.2493540900
H    1.7705971301  -0.0498359469  -3.0119428178
H   -1.1144140977  -3.2438403457  -1.6112051846
H   -0.5735690406   0.5340312094   2.9953518290
H   -0.6143499176   2.8597132305  -1.3619848070
H   -0.0403485838   2.9197415270   2.8889766304
H   -5.0449659076  -3.6920411301  -0.4129867649
*