! 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   -1.8339204809   1.2143430570   1.1728881444
F   -1.7146140659  -0.6189677353  -3.0663356953
F   -1.0161904431   0.9292771056  -1.7662285486
F   -0.4796705025  -1.1247305184  -1.3892811084
O   -2.2426522142   1.2300971472   2.5575574257
O   -1.7469078877   2.4645492811   0.4460495515
O   -0.9420809797  -1.4436305675   1.9883570760
O    5.5411042961  -1.4797451109  -0.0427457311
O    3.1479902221   2.4310455586  -0.7639298888
N   -0.3362092934   0.5231385327   1.0371831756
N   -4.0333311014  -0.1156448585   0.9999732898
N    1.2036616962  -1.1879606192   1.3297452273
N    3.3657899242  -1.3403191228   0.6446852154
N    2.1559543823   0.6507029886   0.2732490188
C   -2.9367958946   0.0682575064   0.3046107266
C   -2.7053237635  -0.5061286926  -0.9463550524
C   -3.6939035746  -1.3586229840  -1.4251450019
C   -1.4739366946  -0.3214447984  -1.7905412850
C   -4.8433287785  -1.5695685742  -0.6874374407
C   -0.0831939484  -0.7458072794   1.4885104601
C   -4.9788933143  -0.9111089827   0.5192448296
C    2.2847335570  -0.5881487278   0.7155593337
C    4.4229416404  -0.7841768801   0.0684021620
C    3.2241890656   1.1948514930  -0.3026162154
C    4.4194319982   0.5112207086  -0.4353473082
C    5.5765195492  -2.8189193672   0.4464481219
C    1.9131778091   3.1357684705  -0.6548093654
H    0.4429063999   1.0435765736   0.6022731777
H   -3.5778183085  -1.8616999124  -2.3742011826
H   -5.6186476435  -2.2297533367  -1.0469167397
H   -5.8671550644  -1.0286930746   1.1250589593
H    1.3614321940  -2.1350512241   1.6483282410
H    5.2874937936   0.9527406751  -0.9021147941
H    4.8526149377  -3.4532059821  -0.0640440850
H    6.5789504572  -3.1802010862   0.2353771659
H    5.3996380223  -2.8606694397   1.5205697045
H    1.6039866221   3.2525992681   0.3839790061
H    1.1238835787   2.6498606388  -1.2284593686
H    2.0968103347   4.1188446052  -1.0786258117
*