! 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  -3.5482678922   3.3088602927   0.2455264286
N   -0.3945943120  -2.2327781559  -0.6180960377
N   -1.5000612234  -1.8868401765  -1.2819483989
N   -1.9799255924  -3.3885099876   0.3058656092
N    1.7577641829  -1.4631876211   2.3685050212
C    1.1900251773  -0.4244745924   0.0371081930
C    2.4459226052   0.3361505999  -0.4568781469
C    0.8723428219  -1.6116825293  -0.9069143284
C    3.7210640394  -0.4930067424  -0.5630997815
C   -0.0027248360   0.5188553523   0.1296577476
C    4.9181476512   0.3321122577  -1.0321198499
C    1.4948876557  -0.9886491937   1.3545888987
C   -0.4379234784   1.1688622188  -1.0228851133
C   -0.6900529565   0.7442724599   1.3145103490
C    5.3711526509   1.3949324138  -0.0416044426
C   -1.5219315198   2.0275093885  -0.9954870402
C   -1.7808687338   1.6017887510   1.3593617906
C   -0.6959961161  -3.1294152435   0.3270901810
C   -2.1886554696   2.2379636469   0.2019431250
C   -2.4226207119  -2.6034064357  -0.6959901735
H    2.5945170075   1.1826041478   0.2162490366
H    2.2094206293   0.7567209672  -1.4373817569
H    1.6534751148  -2.3673757817  -0.8464882229
H    0.8394190345  -1.2573222428  -1.9356249872
H    3.5744873573  -1.3173544284  -1.2659155884
H    3.9612179714  -0.9488841103   0.4029579708
H    4.6849945866   0.7984287098  -1.9941726194
H    5.7490672171  -0.3512332208  -1.2231924946
H    0.0597256151   1.0115749657  -1.9711317419
H   -0.3938523570   0.2581692001   2.2349386450
H    5.5981526169   0.9570059481   0.9327757209
H    4.6202209904   2.1710997421   0.1133115631
H    6.2752688561   1.8942368551  -0.3930772554
H   -1.8435405036   2.5205816472  -1.9025072166
H   -2.2998231971   1.7627646128   2.2943084680
H    0.0386632781  -3.5646521231   0.9861600245
H   -3.4552114480  -2.5643546913  -1.0062371381
*