! 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   6.2950044873  -1.8611205952   2.6503931781
N   -3.6914073266   0.8955818590   0.3687769738
N   -4.5821055186  -0.0995607698   0.3857206204
N   -5.3834186492   1.6491748623  -0.7586214398
N   -2.1503501437  -2.3330422431  -0.5758707397
C   -1.3658188906   0.0981053946  -0.0198990517
C   -0.0228866180  -0.0475865965   0.7301914827
C   -2.3880479190   0.7363979880   0.9527447361
C   -1.2619052096   0.9526427595  -1.2761708707
C    1.0934496998  -0.6141542445  -0.1347758293
C    2.3728395355  -0.9154939029   0.6022812551
C   -1.8249467771  -1.2544869109  -0.3478107872
C   -1.8411119191   0.5726243801  -2.4807779984
C   -0.6335246540   2.1946035166  -1.1962623187
C    2.6961745146  -0.3449229212   1.8292810623
C    3.2958148628  -1.7878997123   0.0259988998
C   -1.7880861721   1.4123092710  -3.5863776378
C   -0.5808007985   3.0317675978  -2.2988325056
C   -4.1800244726   1.9296017394  -0.3241452485
C   -1.1589185265   2.6433292123  -3.5001143300
C    3.8978334888  -0.6298529303   2.4646339212
C    4.5002012546  -2.0824288980   0.6420721995
C   -5.5792894585   0.3971583138  -0.2982034631
C    4.7928266241  -1.4972643623   1.8645203811
H   -0.1884984165  -0.6865376726   1.6010112509
H    0.2510876959   0.9355251633   1.1173327410
H   -2.4859480500   0.1310096337   1.8528620565
H   -2.0179586048   1.7168102895   1.2500272988
H    1.3155282653   0.0839988979  -0.9470208606
H    0.7547836663  -1.5335072693  -0.6203822728
H   -2.3446637091  -0.3810286162  -2.5770253953
H   -0.1768860062   2.5254336115  -0.2715046952
H    2.0145722709   0.3371858839   2.3202193117
H    3.0715799975  -2.2521145377  -0.9269717060
H   -2.2452235716   1.0975896145  -4.5152820341
H   -0.0860132681   3.9907047429  -2.2176343649
H   -3.6361589161   2.8490796831  -0.4739337718
H   -1.1175629991   3.2973119908  -4.3611921028
H    4.1248135477  -0.1759133876   3.4197212982
H    5.1978376047  -2.7634885616   0.1738640380
H   -6.4856542887  -0.1622083421  -0.4685611599
*