! 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   5.2688181073   3.6659373124   0.1536833319
O   -1.6683926768  -1.3680220318   1.6680798393
N   -1.2090582822  -2.6991822645  -0.8269228990
N   -0.3344390219  -2.8176237759  -1.8285955022
N   -0.2845494101  -4.6435999058  -0.5393630551
C   -1.7748680257  -0.6131696870   0.4820118251
C   -2.9060747323   0.4365684464   0.6153170979
C   -0.5558441826   0.3098665426   0.2732492582
C   -2.5614580524   1.4814188804  -0.4612787850
C   -1.0485008009   1.3585106684  -0.7217681805
C   -4.3670056206  -0.0274381329   0.5674271988
C   -2.0835029739  -1.5502960539  -0.7038246215
C    0.7768298641  -0.3389502868  -0.1009552075
C   -4.7027155371  -1.0850800594   1.6154500102
C   -5.2978906687   1.1712505832   0.7431069650
C    1.9076232655   0.6499452590  -0.0432266453
C   -1.1749136323  -3.8015136845  -0.0718176347
C    2.4820694795   1.0042098926   1.1753629351
C    2.3937537332   1.2555000725  -1.1981057789
C    3.5120699014   1.9291671197   1.2469638594
C    3.4223905366   2.1856493060  -1.1483829659
C    0.2003370804  -3.9919286855  -1.6135860277
C    3.9751741811   2.5140176212   0.0783893733
H   -2.7473985059   0.8936288005   1.6013563022
H   -0.4173648027   0.8043848796   1.2438946499
H   -2.8356480981   2.4846413502  -0.1358872833
H   -3.1284203646   1.2905408855  -1.3764528364
H   -0.8537397367   1.0350258600  -1.7479835510
H   -0.5255195382   2.3063339889  -0.5953746163
H   -4.5722579026  -0.4463956780  -0.4253878438
H   -2.0440415556  -1.0230364231  -1.6558393121
H   -3.0965075758  -1.9376009670  -0.6032133140
H    0.7220923213  -0.7656060408  -1.1026529072
H    1.0047139054  -1.1675807834   0.5783451125
H   -0.7598388815  -1.6661193192   1.7810262231
H   -5.7659576176  -1.3318617655   1.5799734188
H   -4.1543764024  -2.0162726024   1.4766246019
H   -4.4842966699  -0.7252091739   2.6236764780
H   -5.1761194151   1.9147016286  -0.0458132220
H   -5.1233430938   1.6723402919   1.6992916567
H   -6.3430224343   0.8557744593   0.7262750925
H   -1.8139543331  -3.9552358297   0.7830911625
H    2.1278672874   0.5458692005   2.0915953831
H    1.9695015011   0.9980265793  -2.1613153872
H    3.9496843891   2.1848728515   2.2027332342
H    3.7870196072   2.6431373670  -2.0584399858
H    0.9651361252  -4.3962600777  -2.2586120146
*