! 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  -5.6247127284  -0.0940289773   0.5313746872
O    2.7214201161  -0.9099299545  -1.5203541712
O    0.0609751612  -0.9712568254  -0.5800156179
N    1.1882747342   1.0511793728  -0.3485035079
N    1.1747790542   2.0566913482   0.5342665377
N    1.2300736017   2.8518962703  -1.5543012348
C    3.5393406719  -0.9555651596   0.8038351986
C    2.3662202273  -1.1557886868  -0.1843045087
C    1.1071230230  -0.3277622384   0.0965638919
C    3.0987720606  -1.3808038244   2.2064636927
C    4.6751787140  -1.8847026440   0.3585750802
C    4.0678014833   0.4775175559   0.8384936264
C    1.2136649251   1.5427233300  -1.5940992771
C   -1.2317619654  -0.6950326183  -0.2689709840
C    1.2099197729   3.1143827142  -0.2316233131
C   -2.1823921501  -1.4223903562  -0.9816807445
C   -1.6439391043   0.2260458375   0.6867988714
C   -3.5305595930  -1.2411060006  -0.7383256460
C   -2.9999143251   0.4066724649   0.9298797977
C   -3.9349896259  -0.3242688573   0.2216860236
H    2.0416326651  -2.1988596848  -0.0559152959
H    0.9233422916  -0.2868728608   1.1722685554
H    2.3373200931  -0.7247447002   2.6319010030
H    2.7011740224  -2.3984388004   2.2154486613
H    3.9463308230  -1.3592970988   2.8933187159
H    5.4775455052  -1.8793372763   1.0981295058
H    5.1210943661  -1.5727787305  -0.5878144712
H    4.3417088045  -2.9205705326   0.2521830123
H    4.2968974905   0.8526928072  -0.1606937187
H    4.9925548173   0.5180524399   1.4182409616
H    3.3699158124   1.1704133988   1.3080499284
H    3.2378861307  -1.6506029503  -1.8488805734
H    1.2062197374   0.9313129033  -2.4805021540
H    1.2165675459   4.1129627577   0.1767159859
H   -1.8620279517  -2.1380138698  -1.7283069170
H   -0.9469918537   0.8247323545   1.2563380742
H   -4.2573894014  -1.8155398553  -1.2963767572
H   -3.3103446283   1.1255379638   1.6759711630
*