! 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   -2.4912275560   0.8045884206  -1.0554346421
O    4.6436676089  -0.2767114388  -1.0332375771
O   -2.9561732470   0.5782926973  -2.4058797936
O   -3.0479398763   1.8912658202  -0.2714516504
O    1.2267835906   2.6021703806  -0.1363102384
O   -0.2525906789  -0.8661510805  -1.9813115161
O   -2.8014383670   0.8145553082   2.9701407212
O   -0.8888733131   0.9397193987   1.8164638361
N    3.1859173396   1.3872559626  -0.4325744804
N    1.3618220383   0.4973600994  -1.1509756009
N   -0.8535577786   1.1387435531  -1.1003640419
N    2.3562946847  -0.4086889878  -1.4409690738
C   -2.6570396341  -0.7035111620  -0.1400919370
C    3.4171116149   0.1626541970  -0.9950817988
C   -2.4963438883  -0.7176971773   1.2466825025
C    1.8481272884   1.6278945855  -0.5183082035
C    0.0491975635   0.1751724979  -1.4552894132
C    4.8663585779  -1.6276606056  -1.4964563389
C   -3.0672943533  -1.8345843878  -0.8270053877
C    4.5132312052  -2.6603532341  -0.4483486765
C    4.1713396679   2.2722549969   0.1507463252
C   -2.7538652987  -1.8960359756   1.9324463569
C   -3.3050280951  -3.0076958110  -0.1272416693
C   -3.1481009244  -3.0373612994   1.2476851236
C   -1.9699528227   0.4468846343   2.0194660964
C    5.2592965762  -2.4782059649   0.8641599091
C   -2.3825186369   1.8812785674   3.8313155505
H   -0.5403449652   1.9471933559  -0.5586457547
H    5.9305810640  -1.6541362400  -1.7228248640
H    4.3168121222  -1.7896211790  -2.4249298966
H   -3.2101452578  -1.8122343986  -1.8970937515
H    3.4355204226  -2.6753286756  -0.2751341259
H    4.7628290190  -3.6301625004  -0.8857689250
H    4.6515186025   1.8015962710   1.0049444163
H    4.9208000019   2.5459156684  -0.5870455848
H    3.6692143267   3.1737923293   0.4870218595
H   -2.6326875266  -1.9328910720   3.0064583880
H   -3.6195019198  -3.8924252595  -0.6622615944
H   -3.3346988141  -3.9498218865   1.7965422996
H    5.0304172876  -3.2919715211   1.5520020856
H    6.3398352470  -2.4708759496   0.7108473035
H    4.9876528280  -1.5481451059   1.3646042422
H   -1.4792670592   1.6142871198   4.3780424142
H   -3.1981242726   2.0332883282   4.5308205779
H   -2.2129979951   2.7973599846   3.2670780619
*