! 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   -2.5474470631  -0.2910166046  -1.6705279629
F    0.6988408101   4.0512988564   0.6534409416
F    0.1802550048   2.8292908478  -1.0482215086
F    6.1458801501   0.0784724156   1.9079621879
F    7.2742703312  -1.1620377459   0.5437263537
O   -2.8885843167  -0.8688992641  -2.9518337175
O   -2.7166882117   1.1337496797  -1.4556619756
O   -3.6472141921   1.6057756046   1.6249919202
O   -1.6246296644   0.6879190342   1.3532157962
O   -1.0236097317  -2.8013569938  -1.6819795034
O    2.0273310906   2.4273220456   0.1471200201
O    5.1280581008  -1.1312403441   0.3381286558
N   -0.9298550240  -0.5586393862  -1.3651260673
N    0.9260825379  -1.9173761894  -0.9867233474
N    1.4339584769   0.2846734854  -0.4191845931
N    3.0370950799  -1.4415564932  -0.3135618103
C   -3.4197789646  -1.1623021985  -0.4000187359
C   -3.5574522515  -0.5973210714   0.8687998340
C   -4.0402068865  -2.3578210535  -0.7247632153
C   -4.3315837357  -1.2565199846   1.8118687301
C   -4.7907804134  -3.0164615952   0.2378051799
C   -4.9360190789  -2.4669109933   1.5003462735
C   -2.8274072061   0.6361980556   1.2867349740
C   -0.3918717210  -1.8152913767  -1.3661901523
C    1.8266613677  -0.9759412307  -0.5546087044
C    2.3510566790   1.1348194879  -0.0029290363
C    3.9304734338  -0.5664894162   0.1048269459
C    3.6546535755   0.7771631805   0.2933483427
C   -3.0611403519   2.8357929963   2.0716242963
C    0.6957671757   2.7966352031   0.1944672380
C    6.2225397272  -0.3453469259   0.6317222884
H   -3.9533984736  -2.7780001794  -1.7157686337
H   -0.3734656812   0.2178584201  -0.9994304717
H   -4.4520617089  -0.8359714488   2.8010752394
H   -5.2668908295  -3.9548088777  -0.0088227623
H   -5.5256268412  -2.9761325604   2.2499299347
H    1.2911244127  -2.8596733715  -1.0436861410
H    4.3565708191   1.5116751043   0.6568942551
H   -2.4556460645   3.2866585834   1.2856772712
H   -2.4560562964   2.6861514466   2.9641081554
H   -3.8934881020   3.4926540750   2.3019044791
H    0.0896037358   2.1584624876   0.8349207248
H    6.3455392131   0.5076254259  -0.0369288968
*