! 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
S   -1.6592032281   1.7429541627   0.1741906649
O   -3.4204679304  -1.1620873374  -1.4491739389
N   -1.8234550948   0.2682867798  -0.6443324499
C    2.1493247350  -1.7475499705  -0.3966014821
C    0.8563797468  -2.3547853819   0.1437512163
C    2.7743582908  -0.6858724614   0.5004135382
C   -0.2785893952  -1.3666692724   0.3985402171
C    4.1069590275  -0.1837681258  -0.0442671141
C   -0.6674595386  -0.5868125928  -0.8490915177
C    4.7509079035   0.9287272851   0.7774899005
C    5.1270372899   0.5173271913   2.1939291269
C   -3.1166580628  -0.0999175221  -0.9094773962
C   -4.0049258752   0.9572477019  -0.4558972371
C   -3.3566097152   1.9723204862   0.1369566812
H    1.9824724786  -1.3282769862  -1.3940946007
H    2.8709430808  -2.5576703280  -0.5387419349
H    1.0707758567  -2.8772024227   1.0800932632
H    0.5067995723  -3.1199864186  -0.5554964209
H    2.9067660716  -1.1018592017   1.5041342114
H    2.0945777009   0.1660059041   0.6122963660
H   -0.0064401745  -0.6710776553   1.1975600939
H   -1.1525775846  -1.9165699588   0.7560744363
H    3.9538736571   0.1776224311  -1.0661540181
H    4.8045285491  -1.0248923760  -0.1236089217
H   -0.9173154894  -1.2660805087  -1.6641635723
H    0.1543301404   0.0351532684  -1.2069354453
H    5.6493661012   1.2719895525   0.2576563637
H    4.0765241203   1.7898080386   0.8141186062
H    4.2534327842   0.2582794072   2.7932611421
H    5.7921110505  -0.3488699831   2.1905156693
H    5.6447298938   1.3247109886   2.7137715947
H   -5.0752297862   0.9057438011  -0.5849390367
H   -3.7801875593   2.8709866039   0.5606801401
*