! 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   -0.3050556178  -2.5202578052  -0.7871653427
O    2.4602537371   2.9798331108  -0.1797176877
O    0.3725424936   3.6305701207   0.2889361965
N   -0.6688757221  -0.3244360600  -0.3430576057
N    1.4724549174  -1.1101155785  -0.8295319247
N   -1.4521206355   1.6553266792   0.1795018532
N    0.8971552270   1.4386572496  -0.2450097420
C    3.4637442647  -2.2356740174   0.1030828449
C    2.5029334407  -2.0979046479  -1.0731006450
C   -2.0528298710  -0.4661516761  -0.1464352248
C    2.8255305804  -2.6829498136   1.4137898134
C   -2.5313400429   0.8003646706   0.1844172874
C   -0.3253308188   0.9984110436  -0.1344641118
C    0.1895797139  -1.4152207395  -0.6723988525
C   -2.9251931717  -1.5422751954  -0.2195760937
C   -3.8632763994   1.0496622445   0.4533190901
C    2.2074374534  -4.0727289977   1.3659952041
C   -4.2668141299  -1.2974725916   0.0490838743
C   -4.7327053063  -0.0283839373   0.3805340926
C    1.1603877207   2.7512777285  -0.0191818562
C    2.9151291938   4.3128248503   0.0202199622
H    3.9731633364  -1.2794068468   0.2561385362
H    4.2403432292  -2.9488956054  -0.1894924117
H    2.0336784921  -3.0496298771  -1.3137720713
H    3.0640744527  -1.7939062906  -1.9592489728
H    3.5960065615  -2.6621433229   2.1890925397
H    2.0727616227  -1.9544373996   1.7285875817
H    1.7444365674  -0.1374693777  -0.6920588073
H   -2.5973237198  -2.5354235514  -0.4740089773
H   -4.2077047133   2.0420657844   0.7100410308
H    1.8452090478  -4.3715984178   2.3509092999
H    1.3583863875  -4.1250145578   0.6839209506
H    2.9367490387  -4.8202383232   1.0462666392
H   -4.9638600487  -2.1229840453  -0.0024742178
H   -5.7841979276   0.1208962983   0.5853756734
H    2.4580709840   5.0077071752  -0.6854044054
H    2.7259293533   4.6585148751   1.0371357921
H    3.9881986135   4.2895385358  -0.1515883907
H   -1.4563866221   2.6465244640   0.3784047553
*