! 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
O   -2.4936547577  -0.0807433024   0.9283293977
O    0.5198734886   2.6563574552  -0.3773376472
O   -1.6589328107   0.5693114634  -1.8254159112
O   -3.3635043096  -1.6947116487  -0.3412408721
N   -0.1171459189  -0.2859272822  -0.4354576892
C   -0.9794834616  -1.4582024326  -0.2730215506
C    1.2493296127  -0.3370790001  -0.0176730096
C    1.6295718764   0.1531836444   1.2316995591
C    2.1798287651  -0.9257182235  -0.8870643678
C   -0.4744396975  -2.4167520736   0.7987358331
C   -0.5650184846   0.6676843055  -1.2888000903
C   -2.4120278930  -1.0759401700   0.0637881782
C    2.9730993528   0.0549757498   1.5948213557
C    3.5088429958  -0.9992555287  -0.4913660439
C    0.6707085584   0.7775430319   2.1980546000
C    1.7605211034  -1.4716302775  -2.2199114928
C    3.9050136527  -0.5095623804   0.7447897835
C    0.3182256244   1.8882514399  -1.5293786939
C   -3.7968994887   0.3378802290   1.3276530934
C   -0.6505467909   3.2981634310   0.0760930765
H   -1.0397193034  -2.0041816826  -1.2193754869
H   -1.1648778804  -3.2562960491   0.8792795025
H    0.4995649366  -2.8275220963   0.5373571957
H   -0.3996639820  -1.9453641354   1.7781523179
H    3.2857754665   0.4295740016   2.5625019985
H    4.2391094784  -1.4476987852  -1.1537361269
H    0.9022538090   1.8348390979   2.3375980984
H   -0.3641014271   0.7041064350   1.8788098934
H    0.7545750891   0.3040993486   3.1781103608
H    1.0486158497  -2.2937673804  -2.1220909696
H    1.2921836995  -0.7181348156  -2.8565235309
H    2.6199756329  -1.8593014218  -2.7649041005
H    4.9425559826  -0.5778826825   1.0461689486
H    1.3030105560   1.5866588349  -1.8940654143
H   -0.1603033418   2.4712877006  -2.3258322462
H   -3.6483804921   1.1556146465   2.0274811952
H   -4.3413092605  -0.4642401826   1.8264279079
H   -4.3772049064   0.6950353024   0.4766986086
H   -0.3681858060   3.9598372441   0.8940469660
H   -1.4038566134   2.5972666552   0.4520342458
H   -1.1147161369   3.9036471982  -0.7115044807
*