! 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    1.9585555898  -1.1638298992  -1.2415033999
O    2.0218254826   0.0721481159   1.6417043477
O    0.8532334648   1.3380768527  -2.6356155221
N   -1.0029061658   1.0565542848  -1.4030021373
C    2.3030028710  -1.9728845747   0.3339482049
C    2.9119242414  -0.9797793129   1.2946755586
C    1.1451041595   0.2545052906  -0.5693976036
C    1.2580590509   0.6694260184   0.7014321296
C    0.3291232745   0.9367370850  -1.6039526796
C    0.5444589637   1.8432534523   1.2837604327
C   -1.7910016497   0.4756119641  -0.3913414521
C   -2.7967768196   1.2387068351   0.1919352629
C   -1.6172791216  -0.8498923230  -0.0026507850
C   -3.6090140371   0.6877082441   1.1720560637
C   -2.4176127192  -1.3858249602   0.9941721589
C   -3.4148159150  -0.6220442858   1.5870640275
H    3.0145979295  -2.7745209092   0.1403584486
H    1.3940565523  -2.4163595094   0.7431784504
H    3.1607935424  -1.4717015819   2.2345450581
H    3.8306807010  -0.5632714413   0.8758445229
H    1.2493222696   2.4703170577   1.8318394594
H   -0.2231020514   1.5181478123   1.9893209501
H    0.0698557832   2.4649863601   0.5309313489
H   -1.4902173786   1.6351692373  -2.0754863776
H   -2.9396895785   2.2667931011  -0.1166327257
H   -0.8722502583  -1.4695168670  -0.4849124628
H   -4.3889576845   1.2905535348   1.6179095021
H   -2.2708717032  -2.4147178339   1.2951126093
H   -4.0414154632  -1.0488182301   2.3586545719
*