! 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    1.3447313814   2.0273676409   1.7175212874
F    0.8105556697  -3.3015104401   0.8309330309
F    1.1936705153  -4.1145782219  -1.1236922281
F   -0.3013701170  -2.5866097140  -0.8660054986
O    1.4897677616   1.0374961085   2.7701696329
O    1.3819791390   3.4304558349   2.0717379366
O   -0.0135210822   3.1921658669  -0.6405531496
O   -4.7969585298  -1.5012073989  -1.7031160081
N   -0.1363412319   1.6691792450   1.0399686281
N   -1.6299468005   1.6178398933  -0.7403860852
N   -2.0169962476  -0.1424707550   0.7335008219
N   -3.2197324124   0.0814782699  -1.2737898510
N   -3.6528086257  -1.7253756498   0.1832666654
C    2.6252470220   0.4932935305  -0.2313731279
C    1.6399690908  -0.6260593204  -0.0035939245
C    2.5304491868   1.7303700954   0.4297410466
C    1.9719284637  -1.9302859289  -0.7150216382
C    3.6543313980   0.3667255344  -1.1580040433
C    3.4042681241   2.7772201154   0.1678828843
C    0.9232518003  -2.9790544129  -0.4679669898
C    4.5419826652   1.4018054781  -1.4178179873
C    4.4188239966   2.6118108555  -0.7596934584
C   -0.5516317738   2.2320635227  -0.1350780472
C   -2.3036060369   0.4743602363  -0.4013760067
C   -2.7177622567  -1.2525693100   0.9818455858
C   -3.8601913517  -1.0173798227  -0.9257138189
C   -2.4021937732  -1.9869140248   2.2323740561
C   -5.1250667275  -0.8145412686  -2.9122014047
H    1.5414360511  -0.8127133755   1.0661158196
H    0.6648512054  -0.2905399858  -0.3586058912
H    2.0336866252  -1.7832293532  -1.7944334779
H    2.9320972219  -2.3286095772  -0.3816127815
H    3.7791585620  -0.5588884705  -1.7011715338
H    3.3043342073   3.7220181222   0.6817717283
H    5.3287188132   1.2548566684  -2.1452283230
H    5.1013132709   3.4251511457  -0.9617413736
H   -0.6464436606   0.8367760936   1.3758624904
H   -1.9180019515   2.0490989704  -1.6097655344
H   -1.4915559731  -2.5718829985   2.0905617616
H   -2.2166948919  -1.2964052693   3.0528273339
H   -3.2024106493  -2.6695834420   2.5034741065
H   -4.2821413263  -0.7987252393  -3.6014050877
H   -5.4553306349   0.2040354876  -2.7149181453
H   -5.9411106051  -1.3781603503  -3.3541390940
*