! 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    0.0827122862  -0.9737889585   0.8021071765
O   -3.5717864517   0.2710262537   0.0055247312
O   -1.6014651968  -0.7131779627   2.2484833655
O    0.6097765283   0.9538243583  -2.0533365331
N   -0.4517058300   1.5539329335  -0.1294352622
N    1.8893561287   1.4065004679  -0.2405231403
N    3.9844856025   0.9425213365   0.2478536273
C   -0.5082891313   1.2382174146   1.2991277133
C   -1.4718367009   2.1251852891   2.0755045704
C   -1.7341103096   1.6229350813  -0.8321148927
C   -0.7769473769  -0.2552109307   1.5018581331
C    0.6368425925   1.2712368149  -0.8856503272
C   -1.1409093360   3.6030015963   1.9414932241
C   -2.5040750396   0.3473427788  -0.8235947952
C    0.0523864570  -2.4039830932   0.9279345235
C    1.1898404954  -2.9633838496   0.1038930897
C   -2.3503274787  -0.8335820678  -1.4730799614
C    1.0132438045  -2.7711463671  -1.3955709298
C    2.3224449096   2.4052257934   0.6045128281
C    2.9434137449   0.5625229742  -0.4273361524
C   -3.3862731048  -1.6921195015  -1.0012906691
C   -4.0925732070  -0.9645887194  -0.1048444858
C    3.6140215408   2.0973960603   0.8877692088
C    2.1833556242  -3.1672151540  -2.2395841946
C    3.3552065992  -3.6273069034  -1.8154198549
H    0.4813234556   1.4018100187   1.7303514977
H   -2.5082696222   1.9370693575   1.7931484920
H   -1.3947657186   1.8378648580   3.1249569172
H   -1.5433616838   1.9384594738  -1.8549372126
H   -2.3312331836   2.4142995151  -0.3789400690
H   -1.8451929868   4.2022051954   2.5183314299
H   -0.1418401615   3.8243290900   2.3210522927
H   -1.1888217477   3.9539456336   0.9095503127
H   -0.9145898001  -2.7832694173   0.5882235998
H    0.1735553596  -2.6763379756   1.9783528701
H    1.2593620371  -4.0300436244   0.3321901797
H    2.1266887420  -2.5169327857   0.4492348196
H   -1.5886671412  -1.0646637908  -2.1997196322
H    0.7781479763  -1.7277321307  -1.6263045399
H    0.1353767715  -3.3336984588  -1.7333120548
H    1.7060682932   3.2426085110   0.8842465345
H    2.8758688760  -0.3144372496  -1.0532412132
H   -3.5794157419  -2.7110551118  -1.2957242946
H   -4.9595468339  -1.1819368294   0.4984455026
H    4.2996820942   2.6485031970   1.5119737794
H    2.0331453770  -3.0455249527  -3.3087168541
H    4.1395560744  -3.8785659759  -2.5184204618
H    3.5869223753  -3.7824847020  -0.7687079663
*