! 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  -4.8894631577   1.3419858456  -2.5500295191
O    1.8818589614   1.4644622390  -0.5393589497
O    2.0252870709  -1.3425808623   2.4958204709
N    1.8780802824  -0.6151651728   0.3504643429
N    1.7828724868  -2.9020392599   0.8660173000
N    2.2868456364  -5.0336950099   0.6670437462
C    1.8299487955   0.8318073702   0.7178944563
C    2.0288590463  -0.7695234530  -1.1194978353
C    2.5757695177   0.6232101827  -1.4232268253
C    0.4850583708   1.1708860491   1.3565716973
C    3.0287040809   1.2699206004   1.5541845058
C    3.0329732911  -1.8229704491  -1.5623350366
C    0.6862965471  -0.9602812426  -1.8209059406
C    0.2425289654   2.6615486542   1.5649386062
C    1.9074694750  -1.5482700020   1.3060366160
C   -1.2139329640   2.9586976632   1.9415538792
C   -2.1758293391   2.5793517673   0.8497301462
C    0.6587731400  -3.5203424974   0.3764288285
C    2.7232030562  -3.8665299823   1.0428788398
C   -2.2341789844   3.3209966205  -0.3288465266
C   -2.9872030258   1.4536704005   0.9540338798
C    0.9965697873  -4.8337142576   0.2591248469
C   -3.0645833716   2.9520949153  -1.3750473197
C   -3.8259143728   1.0660709996  -0.0819511484
C   -3.8538717949   1.8198141556  -1.2426506617
H    3.6615304610   0.6633635134  -1.2621987097
H    2.3729729450   0.9377467583  -2.4471629762
H    0.4009934253   0.6569386642   2.3157817884
H   -0.2948599777   0.7589781325   0.7107667233
H    3.9668063794   0.8977702263   1.1390996993
H    2.9608189193   0.9359956688   2.5855617942
H    3.0802032898   2.3591783569   1.5591522255
H    3.9413737909  -1.8037258638  -0.9594774588
H    3.3227325764  -1.6068072371  -2.5925636830
H    2.6262560002  -2.8325985449  -1.5602819382
H    0.8290771654  -0.9184445710  -2.9017022696
H    0.2409369028  -1.9269186443  -1.5962120431
H   -0.0296687340  -0.1835276885  -1.5511577314
H    0.8884321799   3.0430620336   2.3594727605
H    0.4945734978   3.2223149055   0.6616503252
H   -1.3068924037   4.0251990777   2.1609003017
H   -1.4709552560   2.4289213560   2.8624165646
H   -0.2668326459  -2.9976440584   0.2084807259
H    3.7073906144  -3.6441130087   1.4256091728
H   -1.6183403151   4.2058480023  -0.4404111401
H   -2.9658264168   0.8572608292   1.8584095439
H    0.3741552047  -5.6438491907  -0.0874089640
H   -3.0934822848   3.5414617473  -2.2818232205
H   -4.4449085596   0.1846732404   0.0197959148
*