! 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    0.9160562725   2.4047250872   0.2983056245
N   -1.0873912687   1.4907967394  -0.1946563020
N   -1.5293800922  -0.7880990969  -0.0548900180
N   -3.1646886849   0.6744184977  -0.7587339343
C    2.0839860371  -0.1589287697   0.9260845222
C    3.0459352958  -0.2643862543  -0.2589492776
C    0.6585741460   0.0507994014   0.5093123747
C    4.4900870608  -0.4915303715   0.1678709515
C   -0.2478259448  -0.9671440438   0.3446349790
C    0.2342896158   1.3872429061   0.2167879539
C   -1.9212394776   0.4298229380  -0.3226031046
C    5.4419040949  -0.6155392692  -1.0120370246
C    0.1337917943  -2.3917336947   0.6108461858
C   -4.2019271270  -0.3335443444  -0.8291326257
C   -4.9751525947  -0.4942908735   0.4687518326
H    2.4004549086   0.6681089936   1.5674923503
H    2.1699128770  -1.0599197100   1.5380823972
H    2.7275550053  -1.0822513163  -0.9142673063
H    2.9806170737   0.6493029628  -0.8575518750
H    4.8118717689   0.3322365146   0.8126497173
H    4.5493630536  -1.3968851043   0.7805131834
H   -1.4170089923   2.4223625066  -0.4165929904
H    5.1692674541  -1.4540041199  -1.6565463454
H    6.4698422598  -0.7770299523  -0.6833747777
H    5.4333742040   0.2863769901  -1.6275279546
H    1.0229495393  -2.6829892762   0.0499479381
H   -0.6774733438  -3.0619305590   0.3348016793
H    0.3577333492  -2.5526019696   1.6673592414
H   -3.4537817984   1.6340883385  -0.8593054846
H   -4.8774981848  -0.0425843415  -1.6334567167
H   -3.7485362709  -1.2784900931  -1.1218486942
H   -5.4541740635   0.4409182905   0.7628404607
H   -5.7581624015  -1.2445485375   0.3502513802
H   -4.3244720207  -0.8154701359   1.2825858910
*