! 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   -1.4164802978   1.1437570241  -1.3792586564
O   -3.5634065865  -0.6972322876   1.1034648108
N   -2.1126540245  -0.1832743989  -0.5890841149
C    1.8766245773  -1.9921716299   0.5664354907
C    0.7506948391  -1.3791445988  -0.2581974546
C    3.2412333386  -1.3555649433   0.3177680349
C   -0.5830045262  -2.0815912164  -0.0446880628
C    3.3384115751   0.1069333953   0.7358627553
C   -1.7169965951  -1.5481400391  -0.9065409932
C    4.7353365483   0.6871265569   0.5546272924
C    4.8297465278   2.1451576409   0.9765555906
C   -2.9851642473   0.1421029951   0.4140696508
C   -3.0931427305   1.5884488625   0.4912917769
C   -2.3127392526   2.2220527176  -0.3998857533
H    1.9385100927  -3.0621733415   0.3446762790
H    1.6292147550  -1.9172442390   1.6309687080
H    1.0174754073  -1.4227239456  -1.3203104115
H    0.6541329771  -0.3191545085  -0.0100081679
H    3.4945622891  -1.4471811409  -0.7443002303
H    4.0013373504  -1.9279691826   0.8587351040
H   -0.8729532072  -2.0318977975   1.0085220969
H   -0.4779944285  -3.1437869044  -0.2840547840
H    3.0398339439   0.2030957347   1.7859251546
H    2.6284924373   0.7120388022   0.1631123044
H   -2.6042257790  -2.1704562646  -0.7923946769
H   -1.4476513350  -1.5865290479  -1.9633764080
H    5.4523310854   0.0930466841   1.1295188538
H    5.0338848624   0.5902794339  -0.4937777608
H    5.8377871200   2.5385459280   0.8388218486
H    4.1508638549   2.7715120379   0.3946606534
H    4.5698122585   2.2706496807   2.0294184046
H   -3.7382976919   2.0833365320   1.2006891903
H   -2.2059936773   3.2866231962  -0.5466391057
*