! 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   -1.1329756227  -0.0953816416   1.1955500201
F   -5.5435321363   0.8083844441   1.3383339512
F   -3.7150689024   0.4765641004   2.4021986911
F   -3.9202825110   2.1934508384   1.1211669236
O   -1.3724375614  -1.0730794833   2.2338496183
O   -1.0536158048   1.3178467643   1.5120333952
O    0.0987426671  -2.7047381366   0.3529906737
O    6.2101213556  -0.6787631444  -1.7652840190
O    3.3543690112   2.6449322362  -0.2389460152
N    0.2908504698  -0.4305094761   0.4344492414
N   -1.9375788614  -0.9350996064  -1.1559950394
N    1.9986102738  -1.7605582523  -0.3979066848
N    4.0946454723  -1.2250971539  -1.0894804503
N    2.6397064605   0.4733828187  -0.3321809464
C   -2.3850598528  -0.3171291068  -0.0902889324
C   -3.7027174210   0.1118607709   0.0671408780
C   -4.5724151386  -0.1623851412  -0.9801018738
C   -4.2174754219   0.8975714193   1.2413422500
C   -4.1107528104  -0.8277703308  -2.1009753278
C    0.7399321882  -1.6983076685   0.1493790407
C   -2.7791927914  -1.1900393326  -2.1498705118
C    2.9456374319  -0.7815711212  -0.6135130101
C    5.0326282099  -0.3100102278  -1.2894320290
C    3.5963956298   1.3772423978  -0.5254517174
C    4.8458678244   1.0395823683  -1.0153511094
C    6.4405964065  -2.0541670808  -2.0641787027
C    2.0926347344   3.0008406631   0.3221379425
H    0.9167258939   0.3564635637   0.2075077311
H   -5.6084996258   0.1394390891  -0.9339106165
H   -4.7732504864  -1.0538763162  -2.9227941351
H   -2.3708720479  -1.7007598325  -3.0113699884
H    2.3036867358  -2.7012218659  -0.6108753889
H    5.6221482775   1.7736429957  -1.1710413171
H    7.4672658178  -2.1075461784  -2.4157638831
H    6.3314677576  -2.6835156150  -1.1818004077
H    5.7746219855  -2.4124438994  -2.8485149513
H    2.1407041631   4.0724542449   0.4937078528
H    1.9205552783   2.4987533590   1.2740467134
H    1.2722023235   2.7905930777  -0.3640310334
*