! 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   1.8187452629  -0.6656442108  -2.2611806443
Cl   0.8377732505  -5.4401436518  -0.1143173515
O   -0.7487672534   0.8913054986   1.1131497667
O   -0.1885807091   1.1341585186  -1.0349262062
N    1.4065341318   2.6370543773   0.7728216466
N    1.1843365791   3.1651253158   1.9786167863
N    1.1397133924   4.7579297039   0.4060209586
C    0.2294864505   0.5731433107   0.1688134182
C   -1.9187595424   1.3970322551   0.4643718150
C   -1.6022295678   1.1498697863  -1.0077507167
C   -3.1567037887   0.7051804779   1.0082531942
C    1.5541728921   1.2178123862   0.5910163394
C    0.3919823718  -0.9437946437   0.0625472521
C   -4.4710215391   1.3966345704   0.6549623014
C    1.0812226123  -1.5666248546  -0.9775619475
C   -0.1382875574  -1.7648535887   1.0534308335
C   -4.8299286264   1.4075742637  -0.8243719822
C    1.2201659146  -2.9453234207  -1.0408087190
C   -0.0127892533  -3.1430215993   1.0168754886
C    1.3695518452   3.5964111123  -0.1563304125
C    0.6663496007  -3.7228104811  -0.0393832284
C    1.0341368087   4.4359347483   1.7110170248
H   -1.9828343111   2.4732583248   0.6679478278
H   -2.0141904942   0.1953910371  -1.3590776903
H   -1.9443029111   1.9421193751  -1.6712316978
H   -3.0718620073   0.6761442574   2.0977303896
H   -3.1762071790  -0.3356969651   0.6677618771
H    2.3275521265   1.0298706627  -0.1519019949
H    1.8919313636   0.7901720929   1.5333162037
H   -4.4503531280   2.4231668400   1.0329537276
H   -5.2685621982   0.8917594102   1.2049622866
H   -0.6683788106  -1.3213632500   1.8838378136
H   -4.1543896246   2.0275095818  -1.4152294041
H   -4.8182276441   0.4017874837  -1.2492658739
H   -5.8326988021   1.8106145529  -0.9735436730
H    1.7543609167  -3.4018023566  -1.8624354154
H   -0.4415477943  -3.7479146224   1.8035829729
H    1.5242682497   3.4080179814  -1.2068028231
H    0.8470169645   5.1617216990   2.4872719559
*