! 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   -3.0655747028  -0.7843979802   0.3607788275
O   -1.2934607071   1.9973363961  -1.4593515425
N   -1.8393856670  -0.0292374062  -0.5321339323
C    1.5427614658   0.9444365846   0.6141264051
C    0.6228866264  -0.0976145626   1.2488559662
C    2.8241802848   0.3940403710  -0.0074683640
C    0.1675471932  -1.2200343793   0.3230865197
C    3.7473011528  -0.3027604376   0.9864972807
C   -0.6422229789  -0.7706239574  -0.8865242581
C    5.0973594286  -0.7086409178   0.4013197307
C    5.0052030591  -1.7617187062  -0.6939046549
C   -2.0687262401   1.2934346012  -0.8232390082
C   -3.3565375773   1.6743449421  -0.2606983497
C   -3.9722990707   0.6697001808   0.3798803718
H    1.8097839892   1.6758629881   1.3838950737
H    0.9932256315   1.5068886691  -0.1452138698
H   -0.2535608819   0.4138605183   1.6590579023
H    1.1185436614  -0.5516936823   2.1111658870
H    3.3670222070   1.2264585490  -0.4677887991
H    2.5769391334  -0.2835251278  -0.8304488197
H   -0.4122678520  -1.9463870147   0.9011605548
H    1.0262483309  -1.7794626138  -0.0576738645
H    3.2592022907  -1.1932112320   1.3971413960
H    3.9153200237   0.3660346263   1.8374926094
H   -0.9233895160  -1.6368686479  -1.4895631744
H   -0.0590900834  -0.1165312534  -1.5334790786
H    5.6069134091   0.1792585898   0.0131687108
H    5.7308218436  -1.0900523526   1.2071951827
H    5.9968170167  -2.0694298146  -1.0300949108
H    4.4888179753  -2.6567296038  -0.3390500235
H    4.4678742738  -1.3993248545  -1.5715238497
H   -3.7538401743   2.6728151191  -0.3630610600
H   -4.9309077163   0.6899744375   0.8777217310
*