! 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  -5.3308212857   3.6146017324   1.4256422465
O    1.8471459985   1.3819112157   0.5667568917
O    3.3259791697  -2.2352189486  -1.5411571163
N    2.5768225880  -0.6283383078  -0.1271648280
N    1.6153156430  -2.7756369849  -0.1513108565
N    0.0066646320  -4.2752159211  -0.2066993250
C    1.5364607852   0.0201885355   0.7287743883
C    3.6201916131   0.3538239896  -0.5106675986
C    3.2422836088   1.4921100799   0.4347120310
C    0.0966995643  -0.1700269834   0.2573529484
C    1.6730731000  -0.3663961911   2.1996216883
C    5.0323035502  -0.1332753289  -0.2207000771
C    3.4734185377   0.8030368558  -1.9630282861
C   -0.1731160713   0.1479482273  -1.2058700703
C    2.5789653208  -1.8511964710  -0.6664991694
C   -1.6402135592  -0.0718486065  -1.5878740879
C   -2.5841615313   0.8340083312  -0.8474347920
C    1.6514608111  -3.4268143917   1.0579615307
C    0.6222323422  -3.3493906965  -0.8821341366
C   -2.6781630082   2.1830034987  -1.1844093079
C   -3.3606073878   0.3672638113   0.2090281697
C    0.6456741266  -4.3417378467   1.0013685544
C   -3.5169690156   3.0434304119  -0.4938329820
C   -4.2065614587   1.2122043025   0.9140305576
C   -4.2764538535   2.5477721898   0.5551390384
H    3.7498710654   1.3946951677   1.4026273723
H    3.4840700623   2.4727402054   0.0260275001
H   -0.5073595225   0.4861218592   0.8906762571
H   -0.2395397198  -1.1804291665   0.4960410394
H    1.2752646487  -1.3583455698   2.3980862953
H    1.1007078132   0.3355506997   2.8065963161
H    2.7084199961  -0.3462034832   2.5394379354
H    5.3754162773  -0.8717308603  -0.9422724204
H    5.1086431425  -0.5642027232   0.7784496759
H    5.7186676024   0.7143965750  -0.2681562470
H    4.2167658103   1.5710662636  -2.1824853574
H    3.6321873029  -0.0161437607  -2.6615645170
H    2.4889876130   1.2309034612  -2.1554230468
H    0.1056780645   1.1813955201  -1.4234242362
H    0.4399086277  -0.4755278792  -1.8615883763
H   -1.9127949133  -1.1149852694  -1.4061388258
H   -1.7467380342   0.0908391769  -2.6629984772
H    2.3904984903  -3.2146284630   1.8116836381
H    0.3911233971  -3.0329535290  -1.8880970235
H   -2.0896394688   2.5758652027  -2.0054450515
H   -3.3115459402  -0.6772958601   0.4929665145
H    0.3541699621  -5.0473908245   1.7636189154
H   -3.5787629804   4.0866351099  -0.7737910822
H   -4.8024882322   0.8284841828   1.7313674949
*