! 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   -1.6980372466   1.5733300183  -0.0662679682
O   -3.5587118788  -1.6879833950  -0.2925530196
N   -1.9791390324  -0.0854982759   0.1163301937
C    1.6715901817   0.1805187117  -0.6835779446
C    0.6452123555  -0.6964762454  -1.3959331578
C    2.7588397993  -0.5951281984   0.0492939014
C   -0.1392804076  -1.6492147602  -0.4986124499
C    3.8350929237   0.3080403198   0.6365133317
C   -0.9443937480  -0.9841412942   0.6075869723
C    4.9337781656  -0.4559118519   1.3634314022
C    6.0052228934   0.4554225391   1.9412925396
C   -3.2003587608  -0.5115232015  -0.3326248586
C   -3.9461463980   0.6344006966  -0.8216937098
C   -3.2574863403   1.7846001377  -0.7361252022
H    1.1795991166   0.8579913508   0.0231922909
H    2.1383662463   0.8326248249  -1.4279435825
H    1.1610891865  -1.2944712295  -2.1527444262
H   -0.0480972163  -0.0588069691  -1.9518150790
H    3.2201638368  -1.3106927515  -0.6404966704
H    2.3181677412  -1.1921973152   0.8544526893
H    0.5385468616  -2.3586127024  -0.0168086609
H   -0.8126732304  -2.2509930078  -1.1130104334
H    3.3724185110   1.0222575600   1.3266914156
H    4.2813671199   0.9080498084  -0.1642133654
H   -0.3027637446  -0.4242119697   1.2893714893
H   -1.4388483501  -1.7412678272   1.2157885262
H    4.4903808849  -1.0533743002   2.1659277653
H    5.3942059220  -1.1699734986   0.6736640688
H    6.7812955293  -0.1122913659   2.4563394715
H    6.4920344294   1.0408900370   1.1588600201
H    5.5814228784   1.1589899472   2.6604614760
H   -4.9479189899   0.5479889269  -1.2133511569
H   -3.5784632998   2.7727803541  -1.0311933062
*