! 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   -0.7168399778  -2.6971725818   0.6066935077
O    2.5389548847   2.5296513430   0.3156268042
O    0.5465016164   3.3942290379  -0.2225754508
N   -0.9001915763  -0.4481419023   0.3333635239
N    1.1312213147  -1.4217222458   0.9285754772
N   -1.4783246686   1.6026620245  -0.1791103260
N    0.8242975833   1.1609442801   0.3241768592
C    3.3405255212  -2.2779676815   0.3107331108
C    2.0804075448  -2.4963111637   1.1365639977
C   -2.2827173097  -0.4582219084   0.0891689191
C    3.0992675437  -2.2746512343  -1.1932084128
C   -2.6315126968   0.8514694538  -0.2343730080
C   -0.4283997804   0.8396901169   0.1618430164
C   -0.1475934149  -1.6230293543   0.6337031668
C   -3.2519954084  -1.4495316653   0.1263878671
C   -3.9266673236   1.2261201850  -0.5356183627
C    4.3750717829  -2.0391800412  -1.9870589722
C   -4.5573750742  -1.0784050345  -0.1747495534
C   -4.8936824475   0.2320598531  -0.5022397340
C    1.2282005620   2.4388903389   0.1096566303
C    3.1399484606   3.8046470057   0.1242234866
H    4.0489089587  -3.0697843200   0.5702414725
H    3.8152397243  -1.3379657240   0.6131324600
H    2.3381196089  -2.5543522698   2.1971952079
H    1.6125675542  -3.4433943818   0.8710266544
H    2.6504374875  -3.2276138373  -1.4899388093
H    2.3700826851  -1.5012866254  -1.4503445865
H    1.4774422983  -0.4636471397   0.8750636970
H   -3.0221136784  -2.4714156355   0.3757169636
H   -4.1710032267   2.2497701985  -0.7855017205
H    5.1222711740  -2.8090189786  -1.7838152754
H    4.1829095320  -2.0443864214  -3.0609953575
H    4.8225817055  -1.0742415035  -1.7399044377
H   -5.3295014745  -1.8357401933  -0.1531722331
H   -5.9208507254   0.4806658295  -0.7328703525
H    4.1990347237   3.6684000162   0.3289339872
H    3.0213216849   4.1607675798  -0.8999104378
H    2.7404967215   4.5509465124   0.8121186198
H   -1.3888720087   2.5920665812  -0.3640138099
*