! 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    2.0924753820  -1.7297944477   1.4277095258
F    1.2388781811   2.7921617194   1.7495956159
O    0.6109406631   1.8520107715  -0.8140555699
O    2.1562117677  -0.7052032108   2.4544362861
O    2.7222205269  -3.0095067968   1.6649598604
O   -1.2019289144   3.3655490671  -2.0089179279
O   -0.3228452726  -0.0495002162  -1.5117242845
O    0.6632357840  -3.4842638874  -0.4789578408
O   -2.3691292024   1.1669610067   2.4391163297
O   -4.9772764643   0.0334271112  -1.2246381634
N    2.8286989191   0.6018613633  -1.7663372785
N    0.4632964737  -1.9395459234   1.1743690811
N   -1.3560841778  -2.5219355669  -0.1451107832
N   -1.8553217848  -0.6874970417   1.1955288219
N   -3.1894659423  -1.2752591386  -0.6613767664
C    1.4279803729   1.1403051161   0.1028104193
C    2.3526646850   0.1754205303  -0.6089588494
C    2.1883199860   2.1770321995   0.9258049472
C    2.7001521485  -1.0860365338  -0.1108229624
C    2.9141501053   3.2403133500   0.1430864813
C    3.5498379844  -1.9007102387  -0.8453034105
C    4.0371905592  -1.4334630491  -2.0505601035
C    3.6441145880  -0.1751404492  -2.4666835921
C   -0.2632188090   1.1543101765  -1.5219098598
C   -0.0231654780  -2.6962335052   0.1355085032
C   -1.1551917130   2.0222286988  -2.3825932865
C   -2.1606644478  -1.4366757589   0.1474170912
C   -1.9882623622   3.6049128376  -0.8596377270
C   -2.6283267835   0.3726323088   1.4143067173
C   -3.9475856532  -0.2125041386  -0.4331267832
C   -3.7087877805   0.6796170407   0.6057867090
C   -1.3142045049   0.8343880752   3.3380662052
C   -5.2188434815  -0.8272797939  -2.3366502201
H    0.7728650223   0.6027513022   0.7888776770
H    2.8853841662   1.6470256235   1.5758315497
H    3.6997640348   2.7993259487  -0.4668395927
H    2.2487538212   3.8041664372  -0.5079799797
H    3.3915312427   3.9344813479   0.8339892100
H    3.8295356307  -2.8823775630  -0.4926686898
H    4.7007116191  -2.0346373542  -2.6540900904
H   -0.1915075532  -1.2793897019   1.6180075591
H    3.9991166480   0.2274908711  -3.4067881692
H   -2.1482444073   1.5550977170  -2.4088664863
H   -0.7596848565   1.9686188531  -3.4015266906
H   -3.0160672554   3.2514643592  -0.9937766129
H   -1.5759319955   3.1413111213   0.0432138511
H   -2.0145274834   4.6812268779  -0.6989335244
H   -4.3325102489   1.5434605614   0.7814946672
H   -1.4253505746  -0.1707433398   3.7423876911
H   -0.3346941004   0.9365792341   2.8711855200
H   -1.3824897838   1.5533321937   4.1492821160
H   -6.0897906223  -0.4163844868  -2.8389888165
H   -4.3770770791  -0.8353037741  -3.0284757301
H   -5.4354352021  -1.8466584853  -2.0196155409
H   -1.6729277261  -3.0735612562  -0.9324921261
*