! 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   0.3479832361   0.6961713858  -2.1726441775
S    1.4870822518   1.5273216948   0.9247636904
O    2.2665854668   1.5430415324   2.1428962563
O    1.1318828939   2.7739348752   0.2802984486
O    0.9072819497  -1.1783316194   1.8728933223
O   -3.6926500756   2.3552950852  -0.5101535728
O   -5.4424791575  -1.9419176098  -0.3957850718
N    3.3896673754  -0.2904849681  -0.0423730131
N    2.5332871695  -0.7932653477  -2.0552039378
N    0.0177036674   0.7922513022   1.1871535342
N   -1.2647063032  -1.1455614121   1.2518958340
N   -2.4685414595   0.6389732547   0.3743873477
N   -3.3496488890  -1.5486695974   0.4371257050
C    2.2533088146   0.4767923791  -0.2162034659
C    3.5187720873  -1.0414519839  -1.1910258018
C    1.7787697119   0.1136747275  -1.4612982847
C    4.2754400528  -0.3917455455   0.9884749947
C    4.5946245893  -1.9291130159  -1.3164258087
C    5.3194458400  -1.2525019376   0.8739206991
C    5.4866125457  -2.0331305829  -0.2884047936
C   -0.0493216404  -0.5495321249   1.4691581738
C   -2.4091185788  -0.6504502732   0.6581093782
C   -3.5869677072   1.0751142468  -0.1981020487
C   -4.4598188014  -1.0985852214  -0.1323837549
C   -4.6482997670   0.2341078351  -0.4799308994
C   -2.5886993950   3.2223399799  -0.2582954402
C   -5.2764977979  -3.3234556974  -0.0823388551
H    4.1144375348   0.2259946664   1.8541207357
H    4.6868242683  -2.5093766886  -2.2227195876
H   -0.8269970730   1.2270141706   0.7845148223
H    6.0185698409  -1.3257697594   1.6931144131
H    6.3234092513  -2.7128152970  -0.3616111986
H   -1.2877032429  -2.1332994714   1.4699888397
H   -5.5567774005   0.5872839897  -0.9448770567
H   -2.3390383531   3.2632643590   0.8019406515
H   -2.9091800821   4.2079879638  -0.5828785516
H   -1.7101878050   2.9327858838  -0.8363951162
H   -5.1384052060  -3.4806921270   0.9866335289
H   -4.4385578023  -3.7609725741  -0.6238630460
H   -6.1966205972  -3.8066286157  -0.3984319329
*