! 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   -0.9066084531  -0.7175320453   1.3228240790
F   -4.1415961312   0.4525129874   2.1749754120
F   -5.4711608873  -1.0643804736   1.4792451132
F   -3.6177882035  -1.6337036751   2.3919791268
O   -0.4066664520  -2.0662819316   1.5061723636
O   -1.3996747726   0.0345203536   2.4539962311
O   -0.8563179269   1.9884843406   0.2488227457
O    4.2880053715  -1.5608280461  -0.2572708073
O    5.4481907384   2.4706856947  -2.2449972586
N    0.3457913158   0.1030223098   0.6214427712
N   -1.5884573605  -0.8491777620  -1.1735705213
N    1.2727462414   1.9155876319  -0.4981911956
N    2.7678123178   0.1421181743  -0.3746275912
N    3.3525945670   2.1992820526  -1.3718760080
C   -2.1477759370  -0.7523417209   0.0100542327
C   -3.5230102078  -0.7342398592   0.2257857605
C   -4.3243146751  -0.7637338009  -0.9104984582
C   -4.1823108076  -0.7365545498   1.5784141314
C   -3.7426668955  -0.8302570637  -2.1621933283
C    0.1843265189   1.3738116277   0.1347209482
C   -2.3639392770  -0.8907698666  -2.2471223097
C    2.5198753162   1.3833778691  -0.7537317915
C    3.9850095948  -0.3288052390  -0.6286009907
C    4.5594772760   1.7123728379  -1.6259851553
C    4.9510105226   0.4274300887  -1.2684601495
C    3.2994604911  -2.3433793461   0.4099690256
C    5.0841554685   3.7950731304  -2.6288817285
H    1.2154232705  -0.3960078926   0.3876480670
H   -5.4012749665  -0.7393563466  -0.8298858492
H   -4.3509067831  -0.8498110691  -3.0541658930
H   -1.8650378045  -0.9728963696  -3.2032808134
H    1.1294182775   2.8592817245  -0.8334637706
H    5.9399598608   0.0460636969  -1.4755236891
H    2.4353809884  -2.5280243015  -0.2287750940
H    3.7779397133  -3.2924396775   0.6340102012
H    2.9817912359  -1.8807862950   1.3446589422
H    4.2551856556   3.7963028904  -3.3357246933
H    5.9641615070   4.2116261270  -3.1107939072
H    4.8247719595   4.4081930452  -1.7665705643
*