! 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    1.5368315062   1.0336694791   1.9472048826
O    1.8104501545   2.4469198690   2.0625262781
O    1.3049765246   0.2507972428   3.1404549204
O    4.1701798632   1.0677460997  -1.2376496017
O    0.8548157967   1.8624966418  -0.8116190704
O   -5.6679332692  -0.0133375099  -1.2009374664
O   -3.4090534413  -1.0903199998   2.7077319878
N    2.7787564803   0.4076314884   1.0787639561
N    2.8105815610   0.5135200091  -2.9459467850
N    0.1683642855   0.7549849864   1.0491246730
N   -1.2513199860   1.0453523522  -0.7604181148
N   -3.4514936394   0.5103103356  -0.9935934764
N   -2.3130411222  -0.0424786649   0.9971974189
C    2.6756486926  -0.8334715966   0.4140023194
C    2.9196664008  -0.9095440445  -0.9648314165
C    3.3269637759   0.3092570330  -1.7277037245
C    2.3559010553  -1.9841322996   1.1255825334
C    2.8958869126  -2.1565187091  -1.5839668545
C    2.2987506229  -3.2088457423   0.4809552580
C    2.5847072317  -3.3026265232  -0.8724079907
C    3.2676244227   1.6689279438  -3.6948275212
C    1.5520964679  -0.0424233483  -3.4079779297
C   -0.0124877866   1.2650154867  -0.2075409375
C   -2.3851925375   0.4750919808  -0.2171663425
C   -4.5566197706  -0.0183010072  -0.4851603923
C   -3.4290684086  -0.5672781555   1.4938267605
C   -4.6155688393  -0.5840670634   0.7831808693
C   -5.6522133903   0.5599523323  -2.5064795261
C   -2.1906933054  -1.0695627401   3.4490044279
H    3.2916196110   1.1171229064   0.5583485973
H    2.1783423416  -1.9347861971   2.1900737184
H    3.1271752670  -2.2356030331  -2.6380877051
H    2.0535915411  -4.0957290268   1.0490847546
H    2.5714164300  -4.2613119327  -1.3719214290
H   -0.6373300365   0.2836026799   1.4885613865
H    3.0127274833   1.5280802696  -4.7431096580
H    4.3458915659   1.7835756009  -3.6253138194
H    2.7918975157   2.5881192443  -3.3457326987
H    0.8470602592   0.7674349243  -3.6009274450
H    1.6874779963  -0.6018467157  -4.3334929980
H    1.1028307485  -0.7009149493  -2.6728984654
H   -5.5238031925  -1.0074310929   1.1858941681
H   -5.3832347206   1.6152389052  -2.4809774414
H   -6.6668441268   0.4595522776  -2.8813261411
H   -4.9712082264   0.0291316884  -3.1707029812
H   -2.4158525908  -1.5469303824   4.3982836801
H   -1.8532930444  -0.0506966621   3.6405799981
H   -1.4054275499  -1.6364762867   2.9483584012
H   -1.3671283640   1.4274107073  -1.6896518409
*