! 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
Cl   0.2652161435  -1.1414531216   1.7664745619
Cl  -4.1265844120  -2.1970883742   1.9201986835
Cl   1.2475615906  -4.1980333601  -2.5305238379
S   -0.3971466296   2.6717812934  -1.5776938960
N    2.1074492574   3.2428558301   1.4198950424
N    1.1525805372   1.0751783433   0.0913371777
N    3.2795856625   3.7465652746   1.0209489949
N    3.5422454414   2.4960172316   2.8674716759
C    0.9204017196   3.3866767375   0.6298602332
C   -1.3133589274   1.2145360834  -2.1472889975
C    0.6586879635   2.1811978559  -0.2524045410
C   -1.9820886196   0.3906654244  -1.0859032761
C   -2.0942124587  -0.9817085837  -1.2818200778
C   -2.5420360339   0.9492388265   0.0577471071
C    1.1143849601  -0.1295296187  -0.5806146861
C   -2.7527414052  -1.7852952539  -0.3654827903
C   -3.2045007516   0.1602567793   0.9846454835
C    2.2847535515   2.4874569526   2.5029765395
C    0.7805685065  -1.2856429954   0.1299163145
C    1.5197394400  -0.2730403120  -1.9062379767
C   -3.3040803017  -1.2031858586   0.7633754446
C    0.8145640762  -2.5356207711  -0.4586098747
C    1.5661291972  -1.5170965850  -2.5127715107
C    1.2073370455  -2.6384075071  -1.7833583743
C    4.0990148250   3.2785500770   1.9234036988
H    1.0099461701   4.2991146735   0.0419069822
H    0.0602370159   3.5191895086   1.2880050788
H   -0.6836408102   0.5967022913  -2.7845173233
H   -2.0653239574   1.6658923842  -2.8002598488
H   -1.6594364443  -1.4390504919  -2.1621790500
H   -2.4693347004   2.0141876459   0.2393814236
H   -2.8252455420  -2.8514061293  -0.5307017173
H   -3.6340162851   0.6094200358   1.8695063388
H    1.4785745477   1.9662804463   2.9935455865
H    1.8192961980   0.6019915931  -2.4689119542
H    0.5300204978  -3.4123418575   0.1059642130
H    1.8802778601  -1.6024981420  -3.5434623877
H    5.1501594353   3.5195832962   1.9063273235
*