! 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  -5.6203651592  -0.1429068139   0.5519732008
O    2.7128498350  -0.8603500891  -1.5572536482
O    0.0658942612  -0.9661978901  -0.5965764346
N    1.1739544701   1.0613630271  -0.3183966414
N    1.1588004641   2.0426212986   0.5911461967
N    1.1943121894   2.8941496481  -1.4758261061
C    3.5583760700  -0.9440945031   0.7549338693
C    2.3752863433  -1.1369546191  -0.2223794452
C    1.1102368525  -0.3298967653   0.0896493085
C    4.0814278638   0.4904496985   0.8016987241
C    3.1375129096  -1.3883790328   2.1575242960
C    4.6927044283  -1.8624915719   0.2844931768
C    1.1883065589   1.5863277432  -1.5506126508
C   -1.2272173589  -0.7048057644  -0.2743965050
C    1.1799523960   3.1207207425  -0.1463455788
C   -1.6404584804   0.1844038589   0.7106605664
C   -2.1767347946  -1.4129089468  -1.0076909126
C   -2.9965454478   0.3530391764   0.9614145813
C   -3.5250834334  -1.2437030471  -0.7565079964
C   -3.9305631082  -0.3582139049   0.2320324310
H    2.0631481641  -2.1857077301  -0.1111696467
H    0.9342069445  -0.3203037975   1.1674592839
H    4.2975128129   0.8796023787  -0.1948677089
H    3.3864492656   1.1740188838   1.2887708700
H    5.0130444334   0.5274614025   1.3708050492
H    2.7364799107  -2.4049790640   2.1575106336
H    2.3847287387  -0.7355498076   2.6034538964
H    3.9954924387  -1.3795325302   2.8319803531
H    5.1241541424  -1.5386437969  -0.6645126324
H    4.3626266577  -2.8987881941   0.1715686383
H    5.5050706502  -1.8614596804   1.0133220362
H    3.2180915225  -1.5973469645  -1.9126552766
H    1.1803415494   0.9985318906  -2.4528461473
H    1.1794905269   4.1081272957   0.2884386710
H   -0.9444163487   0.7666463202   1.2979952963
H   -1.8548750768  -2.1032875269  -1.7770375174
H   -3.3081604475   1.0469528457   1.7302821469
H   -4.2514562289  -1.8025737099  -1.3307022740
*