! 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   5.3705499401   2.2555696781  -0.1042136402
O   -2.6214157283  -0.4876301485   1.8774443532
N   -1.1641438443  -2.4357283738   0.1549344290
N   -0.8372293338  -2.6465315633   1.4329869262
N    0.6297037647  -3.6565971387   0.0874824736
C   -2.3878002401  -0.2862764409   0.4939704824
C   -3.6308046109   0.5181842056  -0.0159034703
C   -1.0322774373   0.4503205202   0.3656756624
C   -2.3366443223  -1.6628337118  -0.2045259883
C   -3.5032749234   0.9546750606  -1.4780921118
C   -4.9065227420  -0.3290690175   0.1079033104
C   -3.8300542982   1.7800695578   0.8317987682
C   -0.3364272357   0.5490573316  -1.0000639136
C    1.0958004677   0.9721459734  -0.8208290320
C   -0.2832806918  -3.0482304838  -0.6357583665
C    1.4459602857   2.3193827653  -0.8097362202
C    2.1002419273   0.0313691525  -0.6064164884
C    0.2466360400  -3.3782159196   1.3458505928
C    2.7547884974   2.7240748912  -0.5909004949
C    3.4145555535   0.4144720963  -0.3873662706
C    3.7307027759   1.7637000148  -0.3795334184
H   -0.3379931833  -0.0527291276   1.0451899175
H   -1.1381435783   1.4567958945   0.7771765670
H   -3.2148316042  -2.2487880295   0.0654203933
H   -2.3294811783  -1.5701543565  -1.2889093406
H   -3.2493447706   0.1381509790  -2.1568289380
H   -2.7707367416   1.7486575834  -1.6180437959
H   -4.4602155149   1.3558567677  -1.8189133301
H   -5.7805539968   0.2960335520  -0.0859610515
H   -5.0278910452  -0.7550631324   1.1040715728
H   -4.9452712577  -1.1449958026  -0.6162764461
H   -4.0441496164   1.5528100971   1.8757716273
H   -2.9676290404   2.4480356927   0.8030224887
H   -4.6790737434   2.3476327988   0.4439070986
H   -0.8395181156   1.2667857037  -1.6455364374
H   -0.3633846445  -0.4053970738  -1.5287147569
H   -1.9799950837  -1.1370047528   2.2020379201
H   -0.3437994073  -3.0269935746  -1.7129430331
H    0.6866844343   3.0742645849  -0.9770122643
H    1.8640792340  -1.0264532270  -0.6126508823
H    0.7765120997  -3.7204398468   2.2210391681
H    3.0064014360   3.7762203248  -0.5872312708
H    4.1796592734  -0.3331452889  -0.2261675226
*