! 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   -1.6014479457  -1.4571700085   0.1465078184
O   -0.4829027790  -0.8229718991   1.1713163923
O   -1.5854314804  -2.8527026863   0.5130166014
O   -1.2628012091  -1.0469273619  -1.1936606664
N    1.8995458015   2.2693223216   0.1271913889
N   -0.2446897478   1.3236432942   0.4223225994
N   -3.0473002509  -0.8454748578   0.5668293709
N    0.0125678837   3.4874940638  -0.3241862031
C    2.3108136486  -1.3210240797   1.2465740677
C    2.2215237018  -2.4014420329   0.1629051259
C    1.7061706146  -0.0007503858   0.8593727152
C    2.8102171653  -2.0003905112  -1.1820391855
C    2.4598726934   1.1340581850   0.5182626715
C    0.3404271329   0.2103583371   0.7818404727
C    2.7076461919  -3.1161374310  -2.2106297510
C    0.5656759949   2.3222575209   0.0740991418
C    3.9535262844   1.1160070414   0.5778679241
C   -1.3575626497   3.5840087737  -0.7849773997
C   -3.5158415469  -1.1631230244   1.9157471794
C   -3.3855565718   0.5105207392   0.1414907313
C   -1.5963327572   2.9302602860  -2.1359637330
H    1.8355521706  -1.6958411920   2.1557071647
H    3.3595421933  -1.1716902687   1.5065263899
H    1.1816291831  -2.7061963899   0.0224410265
H    2.7401667130  -3.2901431173   0.5340850168
H    2.2954383663  -1.1125782260  -1.5602500306
H    3.8596952621  -1.7175478404  -1.0557173294
H    3.2481225037  -4.0073034416  -1.8864748914
H    1.6682621872  -3.4055947161  -2.3772530708
H    3.1212507484  -2.8126870091  -3.1730388044
H    4.3052854751   0.9154616880   1.5911194055
H    4.3591037316   2.0730538698   0.2599591928
H    4.3702601340   0.3379701914  -0.0623492849
H    0.6639819343   4.1429701650  -0.7261079013
H   -2.0162741453   3.1531336511  -0.0327516870
H   -1.6018901132   4.6440272480  -0.8367693256
H   -4.5823664850  -0.9539232195   1.9475104002
H   -3.0218046060  -0.5571355497   2.6775927132
H   -3.3806047032  -2.2152716060   2.1452153930
H   -2.9740532566   1.2646383417   0.8108073346
H   -3.0449793638   0.7008563267  -0.8702237465
H   -4.4707032614   0.5865934660   0.1485701070
H   -1.3497875193   1.8683598680  -2.1153558727
H   -0.9934605927   3.4030832216  -2.9124247378
H   -2.6439591440   3.0261518482  -2.4238500984
*