! 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   -4.1127036647   0.1451330140  -0.7660467240
O    2.0144758411  -2.1218120005   0.3263134212
N    0.5537805278  -0.3746864300   0.1798523746
C   -4.0836827770   1.5624810787  -0.5628874193
C   -3.0172880180  -0.6120429380  -0.5822316361
C   -0.6688521635  -0.9852908297  -0.1241282426
C    2.8445527613   0.0809159100   0.6558041520
C   -1.7552768786  -0.1170366766  -0.2794969995
C    3.5750355178   0.6434765631  -0.3953229246
C   -5.2904837554   2.1126266266  -1.2941900910
C   -4.1131036739   1.9002381921   0.9167827639
C    1.7730667581  -0.9294202972   0.3709935653
C   -3.1959358996  -1.9901882162  -0.7309021741
C   -0.8434665475  -2.3574722080  -0.2703306255
C    3.1286709781   0.4034587250   1.9771478406
C   -2.1143988452  -2.8327759878  -0.5751627951
C    4.5887266935   1.5426643375  -0.0760923468
C    3.2722285196   0.3033057636  -1.8249057796
C    4.1429786055   1.3020975607   2.2738010962
C    4.8723701754   1.8724380405   1.2417300060
H   -3.1808818422   1.9796041651  -1.0231282029
H   -1.5874419662   0.9458617607  -0.1605801622
H    0.5178060347   0.6307540523   0.2647232165
H   -5.3224553983   3.1976915047  -1.1947148096
H   -5.2520831040   1.8785429725  -2.3585665957
H   -6.2199003221   1.7118319356  -0.8855517255
H   -4.0826854087   2.9825105559   1.0488136007
H   -3.2657716958   1.4838673232   1.4621629932
H   -5.0285555016   1.5311648063   1.3823817166
H   -4.1758501969  -2.3834772114  -0.9692252572
H   -0.0286514216  -3.0512993554  -0.1526736524
H    2.5560642734  -0.0466280839   2.7790456692
H   -2.2568162857  -3.8993934427  -0.6921750568
H    5.1680761483   1.9916504892  -0.8738737782
H    2.3084484554   0.7085239162  -2.1401914646
H    4.0292213709   0.7116955250  -2.4930338486
H    3.2381646494  -0.7746356124  -1.9891158286
H    4.3612448981   1.5515178472   3.3037524190
H    5.6666901581   2.5746700657   1.4599086446
*