! 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  -5.4384896067  -0.5698241742  -2.3242799479
S    1.5880456832  -0.6838430582   1.9531154562
O    2.4679139802   2.2080872444  -0.8363302935
O    1.9320500598  -1.6330032960   2.9899951382
O    1.6319584817   0.7384829327   2.2416128986
O    0.6012808170   0.9880571433  -0.6600366957
O    0.3338932219  -3.1121142794   0.8448069377
O   -2.8234361708   2.3098116722   0.8126064858
N    0.0188706314  -0.9530754131   1.4717499352
N   -1.5568624037  -2.0745099455   0.1813753829
N   -2.1977296311   0.1308417877   0.5448624524
N   -3.3692357168  -1.2771821033  -0.9406375044
C    2.6094478375  -1.0096381784   0.5378103222
C    2.7143618388  -0.0836145453  -0.5033582319
C    3.3986623505  -2.1480721739   0.5643240152
C    3.6376594522  -0.3212178410  -1.5118146788
C    4.2964157735  -2.3823788544  -0.4666706158
C    4.4187816870  -1.4684187653  -1.4982882550
C    1.8028436593   1.0892878356  -0.6514786487
C   -0.3490131235  -2.1095761225   0.8386665283
C    1.7066858590   3.4089600470  -1.0889108471
C   -2.4030368436  -1.0201143455  -0.0766363667
C    2.6840744287   4.5338486865  -1.3008472475
C   -3.0002630183   1.1367685344   0.2453858929
C   -4.0536096657   0.9928084314  -0.6605738742
C   -4.1708418472  -0.2624006717  -1.2035535634
C   -1.7390548462   2.4817554035   1.7278619098
H    3.3302653053  -2.8507246576   1.3812449217
H    3.7379449776   0.3811015606  -2.3279466533
H   -0.5808577669  -0.1301004469   1.3251402129
H    4.9038925738  -3.2760679650  -0.4512112355
H    5.1243614924  -1.6419674229  -2.2987335356
H   -1.7925141132  -2.9372252007  -0.2916976267
H    1.0578963841   3.6078259260  -0.2347666471
H    1.0792067922   3.2605172159  -1.9682324866
H    2.1284220670   5.4530440954  -1.4827991240
H    3.3123462783   4.6928728794  -0.4253884908
H    3.3233583078   4.3549061326  -2.1644826148
H   -4.7163577154   1.8086266241  -0.9041307156
H   -1.8076230059   3.5090533740   2.0726622915
H   -0.7792625674   2.3366333419   1.2331466343
H   -1.8252331409   1.8114218254   2.5825002719
*