! 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    1.1557211370   0.6993785266  -1.3199728644
N    0.7710034442  -2.0436983476  -0.4196889406
N    0.4220106625  -2.6291794349   0.7272011193
N   -1.2160011314  -2.8421398381  -0.7835049826
C    3.4206866067   0.7414950484  -0.4821644500
C    1.9965218448   0.1273183551  -0.3581981853
C    4.0780697659   0.2920436768   0.8313586919
C    1.6635273506   0.3917252227   1.0987298973
C    2.9553966787   0.2969566330   1.8804092606
C    2.0525712144  -1.4020591698  -0.5911811242
C    3.3123664960   2.2686498389  -0.5070918336
C    4.2011178951   0.2842211938  -1.7087445481
C    0.4951223328   0.6568665746   1.6783837168
C   -0.2160181237  -2.1796993638  -1.3126105953
C   -0.7735410036  -3.0938395656   0.4633912221
H    4.9063692293   0.9468583263   1.1058311213
H    4.5033384138  -0.7084501069   0.7230178019
H    3.0430751669   1.1401097166   2.5671658228
H    2.9783246908  -0.6043507654   2.4972431780
H    2.7506460191  -1.8984300285   0.0800770824
H    2.3812377516  -1.5975714152  -1.6113424649
H    4.3099607650   2.7096574722  -0.4614360484
H    2.8377056536   2.6295413172  -1.4193731702
H    2.7447127495   2.6660407960   0.3369233467
H    5.1590693945   0.8057493779  -1.7558845492
H    4.4281693415  -0.7825270169  -1.6954576736
H    3.6687128706   0.5045807017  -2.6360380552
H    0.2345030785   0.5033553420  -1.1207416660
H   -0.1533104288  -1.8051106164  -2.3229401634
H   -1.3468170641  -3.6379116706   1.1981506233
C   -0.8425958538   0.7974563932   1.0671360387
C   -3.4117466191   1.0532549855   0.0180936389
C   -1.1618345076   1.8430488028   0.1986258302
C   -1.8579137319  -0.0886627853   1.4287027515
C   -3.1341721640   0.0243812143   0.9042238722
C   -2.4369721688   1.9719022984  -0.3328597937
H   -0.4129399336   2.5812286686  -0.0563295764
H   -1.6479415977  -0.8855347339   2.1298382916
H   -3.9015252688  -0.6834919807   1.1870516715
H   -2.6628398111   2.7872472957  -1.0068512546
Cl  -5.0054359203   1.2019976427  -0.6464035554
H    0.5026314088   0.7553882822   2.7622939356
*