! 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   -1.3510958824   1.1086350825  -0.0499464129
F   -4.2148541766   0.6709374807   1.9961449722
F   -4.3569061868   1.5502171088   0.0256229831
F   -5.7450149317   0.0393396948   0.6409364673
O   -1.8259103749   1.8225050554   1.1132043380
O   -1.3294700747   1.7563789330  -1.3468472189
O   -0.2585571659  -0.5079076956   2.1114976033
O    3.5800155812   1.3608067359  -2.4880721942
O    6.3104543199  -0.9832619335   0.4432689207
N    0.2092860192   0.6259636173   0.2046265372
N   -1.4890735702  -1.3717232546  -0.7936825043
N    1.8626699020  -0.5453627871   1.3416592851
N    2.6963066413   0.4157016761  -0.6028479763
N    4.0801260549  -0.7697058400   0.8974408903
C   -2.2369185130  -0.4575806615  -0.2213347243
C   -3.5627549908  -0.6554081697   0.1544234487
C   -4.0780435288  -1.9304140378  -0.0520950801
C   -4.4651547188   0.4102607000   0.7140383619
C   -3.2859982699  -2.9086890364  -0.6224839692
C    0.5485481053  -0.1631389445   1.2728961606
C   -1.9966590627  -2.5786952389  -0.9973962252
C    2.9219711994  -0.2792647497   0.4982611619
C    3.7474637996   0.6596860239  -1.3800680789
C    5.1167880806  -0.5241988882   0.1081264386
C    5.0172413383   0.2051552306  -1.0707750123
C    2.2794866665   1.8524183998  -2.8060183752
C    6.4522784265  -1.7353179609   1.6466667233
H    0.9160592920   0.7771190130  -0.5279089147
H   -5.0940147776  -2.1694282824   0.2266653909
H   -3.6691875185  -3.9048937868  -0.7858027028
H   -1.3504762841  -3.3021468535  -1.4758238913
H    2.0883820972  -1.1071303802   2.1519571905
H    5.8711904189   0.4044332696  -1.7011272613
H    2.3933629597   2.4030777115  -3.7353602039
H    1.5689455260   1.0406297300  -2.9638731511
H    1.9068839531   2.5314954748  -2.0388848912
H    6.1737315007  -1.1513239091   2.5230467085
H    7.5063344233  -1.9905877196   1.7087239319
H    5.8635155409  -2.6515947766   1.6207614288
*