! 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  -5.6804342954  -0.0383002515   0.4131549904
O    2.5377449307  -1.2380782513  -1.5027732563
O    0.0252504440  -1.0083295307  -0.4837671640
N    1.1556072741   1.0072869246  -0.1800235710
N    1.1688176117   1.9753772261   0.7428230171
N    1.3206193508   2.8491434657  -1.3100182707
C    3.6294075301  -0.8002517086   0.5902175842
C    2.3209505131  -1.2119342929  -0.1161210761
C    1.0693805298  -0.3831119769   0.2135739113
C    4.2491742226   0.4852472649   0.0357428974
C    3.3868695819  -0.6423564426   2.0923796168
C    4.6283010577  -1.9448036587   0.3783007074
C    1.2472051444   1.5442381853  -1.4031083706
C   -1.2736383319  -0.7180236044  -0.2122516112
C    1.2743347312   3.0607469591   0.0209193874
C   -1.7044490168   0.1769693297   0.7589502088
C   -2.2063056438  -1.3996944308  -0.9900809859
C   -3.0658391392   0.3811616658   0.9482370131
C   -3.5595268082  -1.1955814662  -0.7993365132
C   -3.9846180900  -0.3013890452   0.1730048912
H    2.0760357535  -2.2166067951   0.2600747163
H    0.8921887472  -0.3875005998   1.2915493303
H    4.3975543194   0.4421203119  -1.0434233054
H    3.6673629432   1.3770077475   0.2658160916
H    5.2321596019   0.6362109343   0.4872848303
H    2.9051265639  -1.5231216054   2.5248227858
H    2.7732498128   0.2284233629   2.3311267977
H    4.3378882953  -0.5090004143   2.6119871239
H    4.2445035550  -2.8914747594   0.7652859583
H    5.5634774517  -1.7353022837   0.9002829004
H    4.8681749454  -2.0897492441  -0.6754543380
H    1.8810216711  -1.8097452925  -1.9138541870
H    1.2511925760   0.9666905227  -2.3123258580
H    1.3121806500   4.0413497451   0.4689320510
H   -1.0171713346   0.7337561062   1.3807549020
H   -1.8667605254  -2.0959857998  -1.7465829259
H   -3.3948965526   1.0802919484   1.7050012421
H   -4.2740485144  -1.7325823899  -1.4082878154
*