! 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    1.5379760964  -1.9795042495  -0.1305230385
O    1.8225712228  -2.9246736931  -1.1886470070
O    1.0931369839  -2.4631259660   1.1643415579
O    2.3777324938  -0.6979737133   3.4567689469
O    0.9967193585   0.4591269084   2.1272925658
O   -4.7090183861   2.6751948488  -1.5457135763
O    1.2988130313  -0.3309654872  -2.5706751362
N    0.3242433473  -0.9555910397  -0.6152463517
N   -0.7064767529   0.5580263599  -2.0417571322
N   -1.9676692099   0.2030186541  -0.1281741749
N   -2.6977393342   1.6371761827  -1.8463079005
N   -4.0377131285   1.3288022421   0.0743526109
N   -3.2818829229  -0.0668106803   1.7203313331
C    2.9608148522  -0.9542900458   0.1103412802
C    3.1089526721  -0.2317642316   1.2941029517
C    3.9530581537  -0.9595947287  -0.8573822025
C    4.2763311459   0.4905202693   1.4928707900
C    5.1048055002  -0.2153498574  -0.6524599472
C    5.2651077933   0.5061595812   0.5188478037
C    2.0288566787  -0.1305533763   2.3221680102
C    0.3743933384  -0.2565636642  -1.7886801163
C   -1.8331204716   0.7993630893  -1.2954094014
C   -3.0966096001   0.5002040296   0.5358002115
C   -3.7778629546   1.8532651908  -1.1063517505
C   -4.5920489407   3.2795531702  -2.8444142510
C    1.4282505807  -0.6557099846   4.5292726279
C   -5.0302206680   2.3473776340  -3.9481414687
C   -2.3405449909  -0.9718866459   2.3364643426
H    3.8443070043  -1.5409887472  -1.7607953189
H   -0.4659790154  -0.7652093090   0.0235522336
H    4.4122796116   1.0564014214   2.4046572291
H    5.8771480551  -0.2098474044  -1.4084304592
H    6.1649051169   1.0826789596   0.6823087437
H   -5.2502396924   4.1449989045  -2.7937874885
H   -3.5766442078   3.6400957569  -3.0041443482
H   -4.1314549290   0.1604743419   2.2097153791
H    0.5100766253  -1.1766035005   4.2581248330
H    1.8996085441  -1.1679518339   5.3618812278
H    1.1974230668   0.3691456317   4.8160659151
H   -5.0070052945   2.8872736375  -4.8951485687
H   -4.3749646381   1.4828568123  -4.0431834863
H   -6.0504311741   1.9971226137  -3.7911215726
H   -2.2123311988  -1.8853206295   1.7558768554
H   -2.7282296082  -1.2460327541   3.3125943764
H   -1.3674317496  -0.5041529419   2.4772710540
H   -0.6537283884   1.0570785929  -2.9202459796
*