! 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    1.9652954710  -1.7541876813   1.3700378453
F    1.2620404019   2.7837404984   1.9036272350
O    0.6483511170   1.9763023968  -0.7145712737
O    2.0275030499  -0.7998903858   2.4627942343
O    2.5420493896  -3.0686987538   1.5465326543
O   -0.5175642270   3.5703804878  -2.4626038958
O   -0.3743023813   0.1442743480  -1.4762684239
O    0.5650310478  -3.2584132305  -0.7469513604
O   -2.6405894031   0.8072183458   2.8138521666
O   -5.5150201146  -0.3186836691  -0.6467822847
N    2.8533308756   0.7150201813  -1.6757502762
N    0.3423850049  -1.8864574927   1.0486593713
N   -1.4774168775  -2.4049215006  -0.2920691265
N   -2.0272302836  -0.7849754121   1.2859735135
N   -3.4898456340  -1.3652646881  -0.4733067044
C    1.4204879388   1.1997666081   0.1863584542
C    2.3361739889   0.2459521897  -0.5526034387
C    2.2022963821   2.1720043501   1.0666055002
C    2.6465167661  -1.0428341825  -0.1053971371
C    2.9768114829   3.2432332303   0.3430492546
C    3.5115083842  -1.8348744754  -0.8461991920
C    4.0512129346  -1.3191030810  -2.0081875405
C    3.6833005709  -0.0401390381  -2.3827822608
C   -0.2117777095   1.3388417819  -1.4928203930
C   -0.1361940957  -2.5565623713  -0.0489247582
C   -1.0154226685   2.2695463830  -2.3739398925
C   -2.3599833515  -1.4655018300   0.2003106030
C    0.5943655493   3.6860262822  -3.3285843624
C   -2.9157126194   0.0986389949   1.7318472710
C   -4.3650172350  -0.4809126124  -0.0156801652
C   -4.1332934892   0.3034541529   1.1076523756
C   -1.3768582035   0.6524655205   3.4524652270
C   -5.7827972414  -1.0940752694  -1.8134092535
H    0.7393236173   0.6506914084   0.8366696263
H    2.8699580109   1.5902107809   1.7032303316
H    3.7706510522   2.8038305534  -0.2570641756
H    2.3464155938   3.8439593600  -0.3110677852
H    3.4480962618   3.9022105938   1.0716392475
H    3.7623705754  -2.8368374182  -0.5304811628
H    4.7308096271  -1.9005057030  -2.6132580442
H   -0.3213505841  -1.2825807415   1.5575829503
H    4.0723002445   0.3987846348  -3.2928842570
H   -2.0194421182   2.3217069893  -1.9410105481
H   -1.1211526660   1.7877982038  -3.3535966735
H    0.3351488906   3.4007260085  -4.3536570734
H    0.9020673530   4.7304009174  -3.3300045697
H    1.4457568955   3.0783796835  -3.0085448338
H   -4.8538847016   1.0211503184   1.4707708354
H   -0.5680857235   1.0439604567   2.8343625456
H   -1.4312663570   1.2469945292   4.3599405886
H   -1.1760043835  -0.3836464404   3.7227641194
H   -5.8075830546  -2.1603105523  -1.5915866403
H   -6.7644082793  -0.7778428935  -2.1546611310
H   -5.0526831070  -0.9052053023  -2.5995875608
H   -1.8003811610  -2.8940214300  -1.1164889988
*