! 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 "1-OCTANOL"
end
*xyz 0 1
S    2.0027172199  -1.6308487587   0.3983573958
F    0.5026427906   3.0149755623   1.8998495984
F   -0.5329199274   1.2091230269   2.4165962747
F   -0.2738394336   1.7591161889   0.3446844153
O    1.4304871214   1.0161589024   1.5633765966
O    2.1658040619  -1.7928040613   1.8260861404
O    2.4813445574  -2.6511256038  -0.5047251485
O   -4.3822877282  -0.4096312267   0.8193086970
O    0.4453721046  -1.0563459755  -2.0493631402
O   -2.1355150012  -0.3084949437  -3.1471499133
N    0.3550049785  -1.4299509118   0.1932296216
N   -1.5488583923  -0.8957305730  -0.9515785210
N   -3.5698287970  -0.2448400388  -1.3226294110
N   -2.1929399083  -0.9358229175   0.2676874557
C    2.6741910697  -0.0776177838  -0.1256008893
C    2.3273130362   1.1060207951   0.5200402157
C   -0.1899257522  -1.1309101198  -1.0299974778
C    3.5946704325  -0.0671618157  -1.1625273018
C   -2.3795121376  -0.4616630013  -1.9774405472
C   -3.3842958021  -0.5421302517  -0.0076799386
C    2.9002734365   2.3025289496   0.1339934792
C    4.1640212337   1.1325534130  -1.5559583981
C    3.8163961612   2.3069632573  -0.9090115941
C   -4.7827399077   0.2516432138  -1.9324299016
C    0.3009453652   1.7472192122   1.5450894055
C   -4.1280521814  -0.7373311206   2.1899541399
H   -0.2299978532  -1.4765584181   1.0230914625
H    3.8622830837  -0.9847172784  -1.6666718228
H    2.6610986263   3.2281553117   0.6379603257
H    4.8789808149   1.1451775586  -2.3664317762
H    4.2617169037   3.2451645737  -1.2104486063
H   -5.0701104546   1.2044856396  -1.4930741509
H   -5.5933413803  -0.4645441697  -1.8179596102
H   -4.5971197076   0.3998362910  -2.9922706368
H   -5.0588505460  -0.5532727314   2.7170741880
H   -3.3425970578  -0.1046721653   2.6030237886
H   -3.8489460814  -1.7856830570   2.2944631815
*