! 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   -1.3980754429   1.4785585070   0.1739798159
O   -3.6146838431  -1.2088032259  -1.2484381854
N   -1.8403079330   0.1611163269  -0.7935346113
C    1.7492843813  -0.4768249644   0.1104072129
C    0.5724466279  -1.4231758231   0.3152214592
C    2.5448112426  -0.2505136259   1.3903879473
C   -0.2204626500  -1.7293891213  -0.9508855870
C    3.6380019515   0.8075171418   1.2657392729
C   -0.8651011060  -0.5268596653  -1.6261338946
C    4.7166399361   0.5110106649   0.2265876982
C    5.4798522011  -0.7792588868   0.4883963383
C   -3.1366176992  -0.2526500823  -0.6396310604
C   -3.7955076903   0.6181813564   0.3184191318
C   -2.9815439051   1.5630901681   0.8168875994
H    1.4033474073   0.4945426189  -0.2604755456
H    2.3977927993  -0.8810419486  -0.6735907548
H   -0.0911092944  -1.0234198695   1.0884549130
H    0.9475307200  -2.3699193674   0.7145291175
H    2.9746118451  -1.2003724974   1.7239162917
H    1.8556354512   0.0566995456   2.1833635916
H   -0.9951770153  -2.4668525869  -0.7283552825
H    0.4380705702  -2.1920499894  -1.6916404188
H    4.1162317550   0.9367161929   2.2419084166
H    3.1726088311   1.7696618680   1.0293189733
H   -1.3810522102  -0.8418452636  -2.5327562874
H   -0.1166590672   0.1994497751  -1.9435965134
H    4.2761271642   0.4784273504  -0.7738450106
H    5.4211239542   1.3468288708   0.2118165242
H    4.8388058108  -1.6585209331   0.4066367738
H    6.2951263985  -0.9080765218  -0.2248544780
H    5.9164567345  -0.7844870677   1.4894723533
H   -4.8332840324   0.4986102871   0.5895768562
H   -3.2206032361   2.3279446724   1.5412314536
*