! 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   -0.0271001220  -2.3393755539   0.8925281363
O    4.1768729228  -0.2870241507   0.0918358698
O    0.4584735352   0.5450770815   1.2123982414
O    2.3388785524   0.1972449857   2.2267623512
O   -2.6455125335  -3.3768985542  -2.7096969964
O    1.9534461350   3.2604741203  -1.7442051847
O   -4.4993121654  -2.4642150027   1.4463105149
O    5.6990971064   3.8600307917   0.9269531208
N   -0.3274879787   0.2400889734   0.1215414236
N   -1.2962176148  -2.8588042832  -0.9427271307
N    3.0093935561   1.4434162298  -0.8371920426
N   -2.2291733157  -2.3990197258   1.1724545725
N    4.9341892153   1.7523321169   0.4972602368
C    1.9548658458  -1.2094275334   0.3682257395
C   -1.5031818213   0.7253773620   0.2358929584
C   -1.9930156864   1.4838990359   1.4101214556
C   -2.4182769434   0.4817236571  -0.8961900160
C    1.1229876766  -2.3067465697   0.1535348308
C    3.2218475175  -1.2138667682  -0.2230943619
C    1.5154452291  -3.3600651295  -0.6574650328
C    3.6062899199  -2.2339746479  -1.0714925911
C    2.7499307113  -3.3037329038  -1.2790289528
C    1.6114431577  -0.1256614784   1.3280642928
C   -1.9923336120   0.9190698486   2.6835544367
C   -3.7972346370   0.5394144539  -0.6989652572
C   -2.4733823589   2.7786524341   1.2313874488
C   -1.9301710328   0.1382297326  -2.1603997985
C   -2.4742508581   1.6437426151   3.7627533254
C   -4.6694777049   0.2620719574  -1.7410609717
C   -2.9389997821   3.5059941622   2.3168145135
C   -2.8035605578  -0.1286813290  -3.1990205853
C   -2.9431746907   2.9385268811   3.5831869204
C   -4.1765524482  -0.0694170446  -2.9929156106
C   -1.2334297890  -2.5478503612   0.3254488953
C    4.0115805978   1.0313905390  -0.0975143887
C   -2.5143864934  -3.0537180147  -1.4347714517
C    2.9209159763   2.7617521218  -0.9952034725
C   -3.4394156203  -2.5983092040   0.6660800830
C    4.8201617998   3.0640995186   0.3446557475
C   -3.6576503655  -2.9452197461  -0.6607569984
C    3.8088967193   3.6491195521  -0.4069924775
C   -1.4721650324  -3.4966120705  -3.5051025530
C    1.0655050578   2.3641733788  -2.4030467994
C   -4.3120330339  -2.1193027062   2.8138737808
C    6.7336736300   3.2784810467   1.7149191973
H    0.8787743289  -4.2208049977  -0.7912248404
H    4.5842671076  -2.2074676301  -1.5329662421
H    3.0595534703  -4.1178603161  -1.9200023944
H   -1.6368286660  -0.0924126342   2.8311263664
H   -4.2015648835   0.7848269696   0.2740673702
H   -2.4813212040   3.2242830302   0.2443382505
H   -0.8643531562   0.0734591485  -2.3317723469
H   -2.4805488574   1.1950291280   4.7474766656
H   -5.7368712172   0.3010247083  -1.5682150628
H   -3.3029586218   4.5143796039   2.1702403664
H   -2.4124765414  -0.3848707811  -4.1750592789
H   -3.3132658387   3.5030702243   4.4291046768
H   -4.8570152058  -0.2823670551  -3.8071962275
H   -4.6481734267  -3.0977126572  -1.0626562138
H    3.7237429586   4.7188880769  -0.5306290997
H   -1.8203066810  -3.6881199491  -4.5171565214
H   -0.8489182012  -4.3304671582  -3.1787943838
H   -0.8735833217  -2.5860588881  -3.4956066284
H    0.3239657297   2.9889623639  -2.8945232455
H    0.5728511007   1.7020521726  -1.6946585160
H    1.5831267562   1.7629684229  -3.1518296814
H   -3.8941326186  -1.1180209672   2.9225179110
H   -3.6708817319  -2.8322672025   3.3323052694
H   -5.3029737270  -2.1388427324   3.2606919640
H    6.3322576082   2.7026764142   2.5490626825
H    7.3112892116   4.1138161126   2.1025329238
H    7.3851775462   2.6384930196   1.1194388793
*