! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -4.7554934303  -1.2934818023  -1.1710237848
S   -1.9185153359  -1.0034637860   0.9950005762
O   -2.7340668502  -2.1944870182   0.9852345037
O   -1.6298575908  -0.3361496297   2.2473502962
O   -1.2004923957  -2.2206694409  -1.5795495482
O    3.3605951786  -0.1956936220   2.2138111939
O    5.5876283012  -2.3430996718  -1.2495527530
N   -2.1036012907   1.3539915741  -0.3585646967
N   -1.0257866370   1.8677211695   0.2194055955
N   -3.8718009785   1.1349859052  -1.6876977579
N   -0.4240371149  -1.3160197863   0.3524851268
N    1.0342715734  -2.0999489801  -1.2764320724
N    2.1830470473  -1.1360374270   0.4970876016
N    3.3050890972  -2.2253988506  -1.2689125504
C   -2.6234768109   0.1063689361  -0.1243462496
C   -0.7041263009   3.0743000057  -0.1555343268
C    0.4815348770   3.7016092050   0.5005430233
C   -2.8887471195   1.9429510948  -1.3068428190
C    0.0725326625   4.8033467763   1.4802933942
C   -1.4502143996   3.8010509836  -1.1259571877
C   -2.5422814460   3.2421587505  -1.7086811834
C   -3.7067998496   0.0229045651  -0.9783995998
C    1.2797701976   5.4540312294   2.1343203508
C   -0.2645451044  -1.8999449646  -0.8779334420
C    2.2224777156  -1.8037248734  -0.6427147042
C    3.3494386616  -0.8648603923   1.0733579194
C    4.4607060249  -1.9485493099  -0.6812255374
C    4.5558109061  -1.2559294915   0.5203198773
C    2.1195731969   0.2104433527   2.7861525432
C    5.5295441502  -3.0621096397  -2.4791518478
H    1.0522699073   2.9330804410   1.0241746525
H    1.1345774938   4.1199476117  -0.2696120303
H   -0.5818726356   4.3785235207   2.2451669532
H   -0.5141786569   5.5629990288   0.9573873849
H   -1.1301592844   4.7970739623  -1.3975728934
H   -3.1317755245   3.7519559697  -2.4565371595
H    1.8712675798   4.7256012777   2.6913045404
H    1.9339959713   5.9135313813   1.3917443897
H    0.9746171605   6.2334696895   2.8326759024
H    1.1275180956  -2.5678388022  -2.1683252024
H    5.5041136369  -1.0386238614   0.9891126380
H    1.5008724835  -0.6458246547   3.0556869022
H    1.5643430121   0.8720339743   2.1203120129
H    2.3760734485   0.7561766090   3.6893456379
H    4.9873740720  -4.0010025120  -2.3722618853
H    6.5618023241  -3.2748322709  -2.7423443837
H    5.0732065133  -2.4703267108  -3.2718543903
H    0.4195779878  -0.9999235568   0.8511634789
*