! 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   -1.1775408120   1.2895360931  -1.5524221634
O   -1.8295000508   1.2469058456  -2.8444731119
O   -0.8072028239   2.5735693216  -0.9858820076
O    0.4571669570  -0.4520300325   1.2869821303
O   -0.6724262206  -1.5294305214  -2.2097060924
O   -6.5432472138  -2.0984807727   1.3303446395
O    5.2320011066  -2.3837960444   0.9206300692
O    3.9578215988   2.0088189326   0.1382503932
N    0.2533687290   0.4547572259  -1.6164088707
N   -0.1103120349   1.5951296207   2.0803165143
N   -5.5293263483  -1.0426221232  -0.4342648657
N    1.4787127704  -1.5127249964  -1.5171927530
N    3.3524297158  -1.9503816064  -0.3066498448
N    2.7275457201   0.2854644648  -0.7310476686
C   -2.1781960148   0.4030953113  -0.3842129139
C   -1.7562876229   0.2185849415   0.9310492382
C   -3.4230553463  -0.0160971979  -0.8129563636
C   -4.2986771587  -0.6383051828   0.0753280003
C   -2.6428129436  -0.3991004159   1.8008668824
C   -0.3580862350   0.4541315323   1.4332143744
C   -3.8999604369  -0.8177739505   1.3981389625
C   -1.0632979341   2.6737586125   2.2340714701
C    1.1969069147   1.8547914127   2.6475999222
C    0.2856878555  -0.9029815021  -1.8056252773
C    2.5618020349  -1.0238487208  -0.8124948684
C   -6.5266446503  -1.7208717898   0.1745765559
C    4.3929525398  -1.5116771309   0.3878791202
C    3.7591594859   0.7089120913  -0.0092360408
C    4.6496646263  -0.1619336971   0.5946963657
C    5.0004867158  -3.7771495042   0.7229806773
C    3.1278122632   2.9265023494  -0.5676549819
H   -3.7257162260   0.1313278183  -1.8410900262
H   -2.3499001045  -0.5611856049   2.8300230804
H   -4.5465632489  -1.2868018178   2.1205472208
H   -5.6972875478  -0.8260144023  -1.4064725498
H   -1.9922933548   2.4727491892   1.7111576453
H   -0.6458801870   3.6001093271   1.8396820472
H   -1.2933914461   2.8262948864   3.2892304100
H    1.6439305305   2.7363202314   2.1855735812
H    1.1066995963   2.0495897418   3.7169739962
H    1.8574415256   1.0060234586   2.5069911313
H    1.4541623260  -2.5195238810  -1.6111406229
H   -7.3577121428  -1.9013012026  -0.5177671888
H    5.4946921168   0.1845608216   1.1710632825
H    4.0511915029  -4.0931793052   1.1539091828
H    5.8122124158  -4.2839164089   1.2371226171
H    5.0244222828  -4.0439257195  -0.3329812435
H    3.4873733100   3.9152073503  -0.2979413029
H    2.0800319709   2.8486316914  -0.2763280785
H    3.2128724192   2.7971930991  -1.6463956376
H    1.1006130448   0.8949541962  -1.2279186545
*