! 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   6.7292561906  -0.3921970629   0.0250337055
O   -1.6259790936   0.2165746540  -1.6660043825
N   -3.4366536763   1.5184208635   0.2886495725
N   -4.0639797017   1.4094748438  -0.8857225022
N   -5.5506269088   1.6521136117   0.7624680538
C   -1.4676600390   0.1182306225  -0.2756913152
C   -2.0997397409  -1.1163992217   0.4294250419
C    0.0263126113  -0.0534032419   0.0297630466
C   -1.3261594235  -1.1297580836   1.7665717531
C    0.0571667507  -0.5017845546   1.4911868937
C   -2.0096748070  -2.4764757276  -0.2991649218
C   -1.9947059461   1.4168825146   0.3739129547
C    0.9139233024   1.1493293937  -0.2924460824
C   -2.7230088008  -3.5460195127   0.5324988120
C   -2.6303641987  -2.4995391017  -1.6975491624
C    2.3727881497   0.7959297819  -0.2137862153
C   -4.3350812677   1.6592504779   1.2619246231
C    3.1404101207   1.1119702788   0.9028338233
C    2.9865151362   0.1035767471  -1.2560897163
C    4.4781361849   0.7509776012   0.9867809034
C    4.3208307200  -0.2651266505  -1.1931372154
C   -5.3292203799   1.4909853544  -0.5529817283
C    5.0577655532   0.0624743095  -0.0654104640
H   -3.1676298069  -0.9470695785   0.6112289253
H    0.3580405055  -0.8856482489  -0.6028727420
H   -1.2284645343  -2.1349520379   2.1721250588
H   -1.8622692830  -0.5589028123   2.5272402062
H    0.2348664768   0.3501754066   2.1525799483
H    0.8694226095  -1.2043861884   1.6773644984
H   -0.9554940464  -2.7670314340  -0.3856525120
H   -1.5619262630   2.2831923847  -0.1292300790
H   -1.7360034185   1.4892780032   1.4293590668
H    0.7056598613   1.9713167749   0.3976744844
H    0.6839004018   1.5117508735  -1.2978469506
H   -2.5448317475   0.4568021724  -1.8571671469
H   -3.7925908567  -3.3303034833   0.6038105567
H   -2.6201270828  -4.5270359162   0.0652765516
H   -2.3413393790  -3.6401880988   1.5488998375
H   -3.6235358838  -2.0420035678  -1.6980372383
H   -2.7559052997  -3.5316593202  -2.0328096444
H   -2.0263244671  -1.9906241122  -2.4423678169
H   -4.0639652364   1.7651865099   2.3006568461
H    2.6956842228   1.6563777826   1.7271503275
H    2.4161777194  -0.1522999796  -2.1414525990
H    5.0571328010   1.0093707209   1.8632550495
H    4.7779145340  -0.7988574223  -2.0156311215
H   -6.1162958878   1.4371714084  -1.2887869297
*