! 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  -1.1044569145  -2.9323269367   0.7098921052
O    3.6775682818   0.7224718181  -0.3367885147
O    2.4068749040   1.9089123741   1.0246259507
O    1.8126036721  -1.2158400451   1.0922312754
N    0.2969789142   0.0425551306   0.0260291909
C    1.3736120647   0.6069379274  -0.7718871672
C    2.0820291741  -0.3406016639  -1.7463440989
C    3.5538390683  -0.2989457923  -1.3328653448
C   -1.0410820664   0.5113625921  -0.1513968066
C    2.5052994131   1.1483005713   0.1020898700
C   -1.5810933750   1.4106449525   0.7769684398
C   -1.7684854397   0.0863605720  -1.2681173104
C    0.6451057927  -0.9026876681   0.9277602245
C   -2.8853103840   1.8548301949   0.5799447495
C   -3.0642272418   0.5669166195  -1.4343153535
C   -0.7988930100   1.9236187080   1.9491379132
C   -1.1853452916  -0.8354562687  -2.2943362774
C   -0.4544175805  -1.5937449688   1.7059116950
C   -3.6219229846   1.4401136841  -0.5167331235
H    0.9545621069   1.4636462904  -1.3013661565
H    1.9576357599   0.0106911943  -2.7687116981
H    1.6916255715  -1.3546140694  -1.7015662175
H    3.8907954696  -1.2387545388  -0.8973507497
H    4.2172614355  -0.0400181270  -2.1557716850
H   -3.3228444490   2.5421332254   1.2934815291
H   -3.6415522566   0.2456729482  -2.2924848057
H   -0.0458155828   2.6457967527   1.6331272753
H   -1.4603278808   2.4248638309   2.6543034186
H   -0.2704192904   1.1459904663   2.5006324263
H   -0.6323646668  -1.6606121042  -1.8492573788
H   -1.9707202204  -1.2640979055  -2.9155426747
H   -0.5051787201  -0.3061254670  -2.9649551393
H   -0.0292011325  -2.0256806520   2.6079254137
H   -1.2889533460  -0.9530423831   1.9751325009
H   -4.6333422350   1.7993433870  -0.6565767584
*