! 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   0.7340519135   1.2449835713  -2.3042961369
S    1.4494601861   1.4264319924   1.0309906887
O    2.1488248376   1.3094238243   2.2912054884
O    1.0999674931   2.7337302862   0.5204990899
O    0.8866847796  -1.3772234110   1.6313670655
O   -5.5971483704  -1.9157853494  -0.3323230878
O   -3.7089238981   2.3217996525  -0.4714473865
N    3.4211989019  -0.2699360407  -0.0098453999
N    2.8730150654  -0.3065867546  -2.1856773786
N   -0.0119629343   0.6371882718   1.1089235950
N   -1.3021735243  -1.2928354307   1.0737905799
N   -3.4460979651  -1.6105504048   0.3808671826
N   -2.4951066191   0.5472241282   0.3048109716
C    2.3253340002   0.5550719631  -0.1788526367
C    3.7193997836  -0.7641648550  -1.2618925756
C    2.0374589345   0.4774145108  -1.5275707495
C    4.1313132011  -0.6321579320   1.0956455605
C    4.8002423229  -1.6410341558  -1.4171132856
C    5.1768223320  -1.4869369675   0.9524853344
C    5.5228422545  -1.9978382338  -0.3153789282
C   -0.0769010602  -0.7175758239   1.2972943302
C   -2.4641607330  -0.7486570598   0.5638071622
C   -4.5709736292  -1.1116754301  -0.1139952361
C   -3.6292886137   1.0322547697  -0.1914449360
C   -4.7332179417   0.2329223336  -0.4270010569
C   -5.4637327134  -3.3063835009  -0.0470671474
C   -2.5698995362   3.1494287018  -0.2457889536
H    3.8358532281  -0.2193012512   2.0437129073
H    5.0275648506  -2.0154574543  -2.4044766545
H   -0.8540143538   1.1060926546   0.7408584157
H    5.7358045179  -1.7691493880   1.8318157852
H    6.3590237223  -2.6757962183  -0.4094440546
H   -1.3317035621  -2.2905164362   1.2385251477
H   -5.6550014103   0.6254022006  -0.8302333538
H   -6.4158505046  -3.7529436147  -0.3194105775
H   -5.2748603542  -3.4846001391   1.0108713113
H   -4.6718637888  -3.7649829000  -0.6381374431
H   -1.7225997708   2.8448676415  -0.8610520470
H   -2.2809441841   3.1617183880   0.8051430530
H   -2.8708410844   4.1508635287  -0.5393563668
*