! 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    0.4757016303   0.0883655512  -0.9343287823
N    1.2836731609  -2.6712758343  -0.3028869463
N    0.5216093868  -2.6344795606  -1.3990528049
N    1.6000932737  -4.5836028432  -1.2783361079
C    2.9110652572   0.1220951593  -0.5142361354
C    1.4664835800  -0.1674760163   0.0148242867
C    3.7115183996   0.2723374506   0.7852564519
C    1.3773583016   0.8085807457   1.1737291343
C    2.7567129720   0.9558493122   1.7748260274
C    1.2951331173  -1.5729861179   0.6423326268
C    2.8985355020   1.4565631372  -1.2670353715
C    3.5039304623  -0.9354289821  -1.4369385956
C    0.3393128543   1.5393826109   1.5881470944
C    1.9185250893  -3.8410197015  -0.2426175425
C    0.7466626290  -3.7986994182  -1.9574105058
H    4.6278509084   0.8433866138   0.6277779927
H    4.0221100306  -0.7066251291   1.1593686189
H    3.0008020694   2.0100734928   1.9175348363
H    2.8080142363   0.4955543308   2.7645032806
H    0.3551280528  -1.5999212000   1.1951482573
H    2.0844355182  -1.7821055611   1.3629453103
H    3.9212453399   1.7455504081  -1.5179113305
H    2.3406355198   1.3895468457  -2.2012608694
H    2.4643861664   2.2725873449  -0.6856310204
H    4.4554090938  -0.5794795603  -1.8384654151
H    3.7179462404  -1.8758759836  -0.9292747727
H    2.8592600863  -1.1444427840  -2.2930761378
H    0.3076942429  -0.7188712278  -1.4465387655
H    2.5907353027  -4.1039303334   0.5591688181
H    0.2758066261  -4.0870587977  -2.8840925037
C   -1.0616291128   1.5923897126   1.1466895929
C   -3.7322173706   1.8662138759   0.3712968655
C   -1.6841835689   2.8427475794   1.1112434369
C   -1.8340206155   0.4777051213   0.8163404347
C   -3.1577869859   0.6059224247   0.4303957606
C   -3.0042886244   2.9921917109   0.7175262062
H   -1.1223453781   3.7267552732   1.3881709073
H   -1.4196367037  -0.5169784947   0.8795103327
H   -3.7349435219  -0.2747118837   0.1822599692
H   -3.4543802252   3.9752754045   0.6858492366
Cl  -5.3844450910   2.0314297787  -0.1260152839
H    0.5675189429   2.2631082853   2.3682668548
*