! 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
Cl   4.4314557754  -1.3669675076   0.1805822963
O   -1.8883225336   0.2283020861  -1.3270473422
N   -0.6163735592   2.3910457372   0.1857392391
N    0.4474062279   2.7110984504   0.9245336921
N    0.5429257501   3.7343532950  -1.0629473190
C   -2.1819865683  -2.3312172186   0.0238217016
C   -3.1249082758  -3.4710097414   0.2406561115
C   -3.1019139159  -2.7723071670  -1.0831210326
C   -2.3171666803  -0.9922793243   0.7315556142
C   -1.4411495961   0.0593671487  -0.0034351324
C   -3.7594429102  -0.5226559860   0.8950377354
C   -1.5945434927   1.4389930272   0.6577851319
C    0.0335863317  -0.3315778117   0.0335970900
C    0.6635046181  -0.6192145958   1.2428395770
C    0.8002251727  -0.3559349192  -1.1251003872
C    2.0088599501  -0.9404467985   1.2980826029
C    2.1511991333  -0.6737776853  -1.0893975996
C   -0.5448881994   3.0032478154  -0.9985834795
C    2.7455970831  -0.9665554278   0.1242683622
C    1.1122499726   3.5178635159   0.1385755749
H   -1.1496636047  -2.6421334922  -0.1037781657
H   -3.9920501920  -3.3269611642   0.8729695431
H   -2.6989611286  -4.4643559219   0.3035026529
H   -2.6697430968  -3.2879305300  -1.9318752580
H   -3.9550999806  -2.1534550470  -1.3333300980
H   -1.9025330811  -1.1189145787   1.7366661544
H   -4.2108051977  -0.2132914887  -0.0479533695
H   -3.8285783229   0.3180144088   1.5856767431
H   -4.3840551749  -1.3092966292   1.3191727468
H   -1.4698141970   1.3641516069   1.7365397525
H   -2.5890396988   1.8392506150   0.4628082391
H   -1.9383823942  -0.6358569397  -1.7534088489
H    0.1106687982  -0.5926613592   2.1735571177
H    0.3574326437  -0.1190726845  -2.0824800035
H    2.4748640008  -1.1627184617   2.2485561255
H    2.7270469687  -0.6882243905  -2.0050362009
H   -1.2954871747   2.8978547916  -1.7651117423
H    2.0409703682   3.9736323326   0.4457620422
*