! 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    1.5467400038   0.9623212064   1.9583373040
O    1.7913741968   2.3768154562   2.1234037170
O    1.3237911175   0.1321230731   3.1215115131
O    4.1472285185   1.1195262282  -1.2639665685
O    0.8507457285   1.8925368724  -0.7627285828
O   -5.6894070243   0.0883579895  -1.1641027909
O   -3.3993057482  -1.1933609481   2.6628036178
N    2.8069525438   0.3917640863   1.0796674755
N    2.7494317331   0.5477327498  -2.9363931892
N    0.1853313504   0.6912773270   1.0458748572
N   -1.2573818129   1.0793906044  -0.7281534357
N   -3.4647826501   0.5775906024  -0.9593470401
N   -2.3089758066  -0.0804283322   0.9894471798
C    2.7466095171  -0.8463374415   0.4020444206
C    2.9654837824  -0.8979412186  -0.9817724662
C    3.3116928446   0.3436439291  -1.7392353536
C    2.4958308681  -2.0170680480   1.1081766510
C    2.9827181550  -2.1380705890  -1.6144327716
C    2.4794975315  -3.2369556541   0.4516627161
C    2.7380032461  -3.3039687929  -0.9087247590
C    3.1408343066   1.7286488464  -3.6829672083
C    1.5022336217  -0.0541792669  -3.3703488401
C   -0.0113360537   1.2670108736  -0.1801122733
C   -2.3896674521   0.4944047507  -0.1984388616
C   -4.5697756160   0.0376682660  -0.4631727482
C   -3.4255565452  -0.6149615108   1.4744857447
C   -4.6201677307  -0.5864091201   0.7777549012
C   -5.6833130678   0.7243579994  -2.4402889127
C   -2.1747428099  -1.2182374102   3.3934461122
H    3.2912451333   1.1255659808   0.5660787863
H    2.3417547756  -1.9859935726   2.1768142264
H    3.1942576274  -2.1962173900  -2.6740556008
H    2.2887079680  -4.1398384638   1.0154321211
H    2.7558374941  -4.2573050149  -1.4181927901
H   -0.6161912029   0.2029276021   1.4731960407
H    4.2152837151   1.8842532621  -3.6414919369
H    2.6395273576   2.6235705757  -3.3078595702
H    2.8623892201   1.5910668456  -4.7255714763
H    1.0834041007  -0.7123047994  -2.6167284762
H    0.7706422469   0.7308843006  -3.5666467176
H    1.6392967630  -0.6252482523  -4.2888142917
H   -5.5282254031  -1.0183856297   1.1713996874
H   -6.7031938204   0.6523350688  -2.8071977398
H   -5.0158170642   0.2201778937  -3.1380306363
H   -5.4032821670   1.7743879076  -2.3667502429
H   -1.8257235965  -0.2123827724   3.6280561833
H   -1.3992093156  -1.7693483015   2.8610695174
H   -2.3972989187  -1.7361612758   4.3218819352
H   -1.3809739910   1.5071026814  -1.6364679608
*