! 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  -2.9119340201   1.3233119015   2.0325673443
S    1.3379137847  -1.9948792010   1.0431472612
O    2.1635056237   1.7320628609   1.6580737287
O    1.5706944448  -3.4213645080   1.0964003602
O    1.1877572991  -1.2404900805   2.2752680918
O    0.6448746311   1.2088958101   0.1000671066
O    0.5596471787  -2.6702823972  -1.7181906577
O   -4.4655492044   1.7602495622  -2.6977263656
N   -0.0782156542  -1.6907307282   0.2260673997
N   -1.2729236176  -1.3509167196  -1.7377808285
N   -2.8752968889   0.1932507301  -2.2223960000
N   -2.1490398716  -0.0871639473   0.0039608776
C    2.6257758043  -1.2455280417   0.0828917500
C    2.7617983167   0.1428313843   0.0559470514
C    3.5491280615  -2.0708935344  -0.5383970232
C    3.8514113346   0.6928546692  -0.6024476996
C    4.6243284251  -1.5047169963  -1.2062490191
C    4.7758004398  -0.1281717124  -1.2340678213
C    1.7275499668   1.0700780318   0.6106760039
C   -0.2076638271  -1.9541088252  -1.1101111349
C    1.2545941433   2.6676426631   2.2777118571
C   -2.1293863869  -0.3727827381  -1.2849000571
C    1.9352955767   3.2259327852   3.4988316066
C   -3.6877626043   1.1533730553  -1.8276828124
C   -3.7598289010   1.5845657001  -0.4941523216
C   -2.9435703123   0.9060035144   0.3674236832
C   -4.4069149050   1.3720818331  -4.0708873541
H    3.4433842433  -3.1452904241  -0.5013279537
H    3.9756275000   1.7671250359  -0.6361658337
H   -0.7258968222  -1.0025697368   0.6373190380
H    5.3440932814  -2.1442338569  -1.6972712575
H    5.6170357146   0.3156471216  -1.7483826744
H   -1.3356149858  -1.5496791212  -2.7278333867
H    0.3309649514   2.1486469558   2.5418576026
H    1.0097250020   3.4568126625   1.5653022031
H    1.2655435615   3.9374017905   3.9811289764
H    2.1695845787   2.4452036263   4.2228362152
H    2.8540034956   3.7538685081   3.2424132888
H   -4.4106338487   2.3887195909  -0.1870755027
H   -3.4148916884   1.5373736155  -4.4895785937
H   -5.1238690541   2.0063995567  -4.5834290662
H   -4.6886955444   0.3283723224  -4.2038820553
*