! 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   5.3096670815   3.1973132654  -0.6402472233
O   -1.9158798277  -1.2089714459   1.4928914033
N   -0.8245472712  -2.8407491924  -0.7065633812
N   -0.4291281385  -3.3458171794   0.4661415940
N    1.0081439022  -3.9196417422  -1.1424076967
C   -1.9075477645  -0.7800358646   0.1535236120
C   -3.1378720445   0.1553315307  -0.0829879805
C   -0.6450152766   0.0836979974  -0.2056709051
C   -2.5397376507   1.5615833923  -0.1476805066
C   -1.2159232924   1.3447416819  -0.8582601259
C   -4.3115135683   0.0083317271   0.8935205263
C   -1.9921145689  -1.9867126912  -0.7965251859
C    0.2334626144   0.4020989010   1.0131241825
C   -5.3684964921   1.0767916270   0.6168554902
C   -4.9651144826  -1.3691614401   0.8317930616
C    1.5013572864   1.1064566691   0.6197628300
C    0.0440250086  -3.1884597241  -1.6550528116
C    1.6846584880   2.4656635136   0.8550477684
C    2.5296484743   0.4088757049  -0.0129024374
C    2.8491498162   3.1177526794   0.4723854684
C    3.6996008199   1.0397983429  -0.4037051691
C    0.6731665513  -3.9846036797   0.1570552403
C    3.8486273888   2.3964101392  -0.1575189241
H   -3.5277277383  -0.0666028379  -1.0868327664
H   -0.0122712489  -0.4467056162  -0.9239119693
H   -2.3789476808   1.9568026089   0.8614424561
H   -3.1830069636   2.2699236390  -0.6705800745
H   -1.3978060239   1.1686288422  -1.9224464224
H   -0.5401564158   2.1996679457  -0.7962157651
H   -3.9395982075   0.1680035221   1.9101445218
H   -2.0563999277  -1.6493717614  -1.8303045885
H   -2.8803140420  -2.5850062737  -0.5880950820
H    0.4996287816  -0.5231312623   1.5286853238
H   -0.3169741867   1.0101091409   1.7347308005
H   -1.3247545028  -1.9726720360   1.5810269948
H   -4.9922691129   2.0880660883   0.7746708635
H   -5.7390864326   1.0174610073  -0.4102153135
H   -6.2266890732   0.9491464311   1.2799285680
H   -5.3358916604  -1.5872135631  -0.1736223377
H   -5.8214225626  -1.4204628477   1.5078213014
H   -4.2844265611  -2.1683263990   1.1209631336
H   -0.0645230518  -2.8917376067  -2.6865621970
H    0.9085745030   3.0351391262   1.3522601662
H    2.4254994009  -0.6536236366  -0.2028199937
H    2.9694670225   4.1750057381   0.6673957300
H    4.4852939651   0.4775796187  -0.8902943979
H    1.2518633121  -4.5131621561   0.8984323978
*