! 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   -1.8179498117  -1.1640717430  -0.7447453028
O   -0.4951278096  -0.9898020394   0.2140169175
O   -1.7983082688  -2.5778477298  -1.0285592416
O   -1.7369591155  -0.2062938166  -1.8190311371
N    1.8932512494   2.2687317745   0.1301698384
N   -0.2470531800   1.2819106290   0.3214286351
N   -3.1128229506  -0.8470495947   0.1896513137
N    0.0289188555   3.5605987350   0.4564457994
C    2.2593909850  -1.4774893946  -0.1959746455
C    2.5435123782  -2.1425239973   1.1530036006
C    1.6707576001  -0.1066412884  -0.0442481340
C    3.0982475154  -3.5576273891   1.0331612848
C    2.4353590278   1.0692349158  -0.0209579338
C    0.3185218542   0.1159968456   0.1475577590
C    4.4748364114  -3.6310890927   0.3878429037
C    0.5666911708   2.3367952065   0.2856083066
C    3.9191883375   1.0146764747  -0.1893632833
C   -1.3915595932   3.8212042595   0.3540148456
C   -3.3044036637  -1.7363416477   1.3355363269
C   -3.4221776923   0.5503853487   0.4861438361
C   -1.9379532872   3.7306773986  -1.0610749925
H    3.1775832814  -1.4116213919  -0.7816666140
H    1.5854673038  -2.1143089981  -0.7740824750
H    1.6187233648  -2.1700667314   1.7351751643
H    3.2430516458  -1.5235161013   1.7245031193
H    3.1498617438  -3.9959906434   2.0329768578
H    2.3934683010  -4.1757533700   0.4685673459
H    4.8593619980  -4.6517144338   0.3976707527
H    4.4623684691  -3.3042530309  -0.6527592554
H    5.1933823991  -3.0047335652   0.9207212648
H    4.1869168500   0.6332882692  -1.1763489429
H    4.3807305448   0.3515026361   0.5435239447
H    4.3554774274   2.0041509513  -0.0787315088
H    0.6493029833   4.3314648773   0.2686725929
H   -1.9274974570   3.1354286911   1.0091466344
H   -1.5587245338   4.8209329074   0.7522307329
H   -4.3244563505  -1.6012471205   1.6867100704
H   -2.6230608566  -1.5065649040   2.1571457158
H   -3.1904851330  -2.7776930069   1.0511055012
H   -2.8010421401   0.9499751260   1.2871392394
H   -3.3162975522   1.1715547101  -0.3966763282
H   -4.4639188804   0.5873408566   0.7969747461
H   -3.0073070832   3.9456885270  -1.0659207831
H   -1.7943598377   2.7354840103  -1.4814805287
H   -1.4507264595   4.4518784434  -1.7184310795
*