! 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    1.8197373172  -1.4727876628   1.2592195296
O    1.8053176627  -0.6935794703   2.4735754127
O    2.3144091068  -2.8281689935   1.2864651451
O    1.6127037204   2.8280539573  -0.6510756614
O    0.6524969985   1.4770997099   0.8487998945
O    0.7441182063  -2.5336335071  -1.2381592082
O   -3.0022797011   0.9019173256   2.4612103654
O   -5.2601977194   0.5720172402  -1.5784199721
N    3.7199501959  -1.0887818111  -0.7074103589
N    0.2614692640  -1.4545919095   0.6997523194
N    4.1979286113  -0.1958845274  -1.5617802994
N   -1.2990401508  -1.6016910024  -1.0160702889
N   -2.1325128729  -0.3534685188   0.7600089255
N   -3.2841319239  -0.5321163299  -1.2906175564
C    2.6982935978  -0.5855851103   0.0078586176
C    2.5055231423   0.7224156425  -0.4187738786
C    3.4810652364   0.8958822530  -1.4074612183
C    4.3247114857  -2.4090099862  -0.6909206902
C    1.4937753193   1.6903394011   0.0110456370
C   -0.0440456380  -1.9128111847  -0.5579380289
C    0.6648164891   3.8708479219  -0.3650354257
C   -2.2776120229  -0.7908152387  -0.4778499526
C    0.9707498191   5.0307328174  -1.2766237160
C   -3.0907960576   0.4398907840   1.2292866716
C   -4.2306749093   0.2624716391  -0.8121468284
C   -4.1926614152   0.7977650689   0.4698365226
C   -1.8976760503   0.5135822855   3.2747446439
C   -5.3143951437   0.0491029916  -2.9025704473
H    3.6817840732   1.7705283977  -2.0054281624
H   -0.4238080613  -0.8437291883   1.1674351569
H    5.1132000329  -2.3957301510  -1.4354921185
H    3.5960924660  -3.1694412054  -0.9547542982
H    4.7574769326  -2.6296720848   0.2804185036
H    0.7493401133   4.1638725512   0.6833665304
H   -0.3484705334   3.4995806635  -0.5313194993
H    1.9749463887   5.4214970500  -1.1107065413
H    0.8716812270   4.7559713546  -2.3270944923
H    0.2636713675   5.8356518196  -1.0756819756
H   -4.9703571715   1.4434986720   0.8507119933
H   -2.0727560331   0.9731660524   4.2439510471
H   -1.8489494591  -0.5685419946   3.4004230286
H   -0.9532975744   0.8828286264   2.8754537900
H   -5.3601582273  -1.0399781553  -2.9055206815
H   -6.2281506019   0.4463008677  -3.3369131499
H   -4.4629979423   0.3739583111  -3.5009037584
H   -1.4896233541  -1.9292843455  -1.9541871696
*