! 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    1.9311126462  -1.9174280597   2.0732153853
O    1.5076664394   0.2382465592   2.4632258391
O    0.0126887131   2.1307291187  -1.1316727908
O    2.6729983317   2.2290417639  -1.5757123295
N    0.8599222339  -0.8112638073   0.5100869322
N    0.0866132353   0.1909479433  -0.0065158145
C    0.8209100286  -2.1753587069   0.0194492186
C   -1.3385865025   0.0396285172  -0.0114111889
C    1.8303527033  -2.8196388097   0.9621868372
C   -1.9405005457  -0.5873433225  -1.1075032532
C   -2.0953298760   0.5362109386   1.0570000738
C    1.4203761107  -0.7289451275   1.7558479372
C    0.6794878717   1.2351402745  -0.6633916940
C   -3.3215601976  -0.7719262572  -1.0861545834
C   -3.4714967393   0.3370625350   1.0330453315
C   -1.1830976979  -1.0624035167  -2.3138827295
C   -1.4851188037   1.2812130872   2.2049709373
C   -4.0806748107  -0.3239588457  -0.0215801151
C    2.2014785625   1.2164280090  -0.7456427267
C    2.6071193105   1.9190463132  -2.9494973798
H    1.1389668544  -2.2448661150  -1.0188379222
H   -0.1777015479  -2.6068648540   0.1191891465
H    1.5128780059  -3.7925873039   1.3280636727
H    2.8148038327  -2.9118405973   0.5029250914
H   -3.8022730958  -1.2629774266  -1.9237448236
H   -4.0745586821   0.7166044248   1.8486528082
H   -0.1784811111  -0.6547474739  -2.3967201745
H   -1.0966000826  -2.1505271898  -2.3221825553
H   -1.7149072988  -0.7831204557  -3.2235260162
H   -1.0244802295   0.6075486609   2.9271437544
H   -0.7207617831   1.9876059438   1.8850126649
H   -2.2542809811   1.8425139115   2.7344191384
H   -5.1531128426  -0.4708477322  -0.0206376440
H    2.5574864836   0.2267115553  -1.0620282504
H    2.6081434865   1.3951811873   0.2542000817
H    3.0465613840   2.7532390457  -3.4954464912
H    1.5828968936   1.7822317909  -3.3102107919
H    3.1790711100   1.0148278037  -3.1886039080
*