! 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   -2.3346344747   1.0026220759   0.7070330530
O    3.2246107036  -2.2005916384   0.7141204073
N    1.0291026683  -2.3285375008   0.2831191664
C   -3.5755276426   1.6309993898   0.3708001905
C   -2.0146757524  -0.2057193814   0.2094959909
C   -0.2708854067  -1.8636154862   0.0239261886
C    2.2243389184  -0.2402937054  -0.1532951097
C   -0.7173690797  -0.6363853620   0.4889844883
C    2.7172002242   0.7832071078   0.6636807357
C   -3.7782872584   2.7288138021   1.3942017371
C   -3.5398713372   2.1743323378  -1.0465913264
C    2.2040673632  -1.6513802699   0.3321215295
C   -2.8798844908  -1.0313008522  -0.5056767606
C   -1.1350674609  -2.6969256627  -0.6857659706
C    1.8157568472   0.0248805118  -1.4566017453
C   -2.4279834229  -2.2737029273  -0.9314895519
C    2.7663005700   2.0703908448   0.1342751045
C    3.1608145723   0.5371856430   2.0763512295
C    1.8932839140   1.3086430442  -1.9706104667
C    2.3652372616   2.3354168314  -1.1668558982
H   -4.3930123467   0.9088083367   0.4727141539
H   -0.0765350315   0.0054999369   1.0783133494
H    1.1132508244  -3.3215036533   0.4586941486
H   -3.8137261535   2.3274308238   2.4076833604
H   -2.9799616119   3.4715732810   1.3446195478
H   -4.7226268142   3.2405416439   1.2081432117
H   -3.3618715544   1.3974801591  -1.7911089862
H   -2.7591908990   2.9297065277  -1.1543305108
H   -4.4949943879   2.6415795861  -1.2891440387
H   -3.8952009085  -0.7381768534  -0.7324412916
H   -0.7934225573  -3.6591623792  -1.0452150798
H    1.4387097834  -0.7769477234  -2.0795179275
H   -3.1026804872  -2.9174532483  -1.4806681511
H    3.1261203154   2.8821060292   0.7551334571
H    4.1228380889   0.0250877349   2.1123655428
H    3.2700213518   1.4783388778   2.6136888404
H    2.4502678593  -0.0758965506   2.6330113213
H    1.5807585011   1.5054473497  -2.9875763689
H    2.4205647811   3.3461564476  -1.5503750016
*