! 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   5.1134688066   2.1768204048  -1.8629270861
O   -2.5495305581   0.0299786737   1.8712111299
N   -1.2052583240  -2.3933229663   0.7264134322
N   -0.9036886990  -2.6387556001   2.0023765680
N    0.7283250284  -3.3800631923   0.6600497016
C   -2.4210486215  -0.1981676510   0.4834969516
C   -3.6666914595   0.3849859296  -0.2773021112
C   -1.1051560312   0.4037089318  -0.0687131630
C   -2.4267103456  -1.7298508611   0.3336268379
C   -4.9464331198  -0.3701218800   0.1016235160
C   -3.8765681238   1.8565322786   0.1032058142
C   -3.4857356650   0.3061870350  -1.7965991758
C    0.0389381759   0.5455432367   0.9447452407
C    1.3141694425   0.9536372953   0.2615401607
C   -0.2271340277  -2.8435383711  -0.0628428096
C    1.5551363465   2.2860114516  -0.0660851939
C    2.2761066526   0.0091759542  -0.0870433711
C    0.2620565368  -3.2300194240   1.9159288596
C    2.7159950080   2.6715872508  -0.7193444435
C    3.4440960195   0.3738955713  -0.7406940370
C    3.6541569396   1.7071147727  -1.0524135071
H   -1.2940439495   1.3975140387  -0.4810033637
H   -0.7640883284  -0.1888730736  -0.9222592660
H   -3.2323299181  -2.1628985028   0.9247908014
H   -2.6014748402  -2.0035051247  -0.7049846071
H   -5.8157887381   0.1385909485  -0.3200299619
H   -5.0899494989  -0.4146497977   1.1824351079
H   -4.9675162982  -1.3907342810  -0.2839522897
H   -4.6829691190   2.2781473261  -0.4996637660
H   -2.9973543803   2.4795608670  -0.0733696232
H   -4.1760621088   1.9825900743   1.1456828963
H   -3.3204705828  -0.7119431344  -2.1543491544
H   -4.3878678896   0.6687462511  -2.2937237129
H   -2.6581709744   0.9195045808  -2.1552270025
H    0.2038689194  -0.3757416536   1.5017893654
H   -0.2225726194   1.3026604799   1.6872287714
H   -2.5101554957   0.9762379734   2.0445609511
H   -0.2560395937  -2.7661363324  -1.1389584814
H    0.8295215423   3.0461022871   0.1994419019
H    2.1232393122  -1.0350403604   0.1594226120
H    0.7962321811  -3.5686774437   2.7902897326
H    2.8866390618   3.7126211117  -0.9589994071
H    4.1804568217  -0.3760480452  -0.9972247626
*