! 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  -6.0579582464   0.6627243689   0.1729959307
O    2.9240212733   1.3854489489   0.7698994926
O    0.0483767125  -1.5771163526   0.6295033938
N    2.0523410763  -0.6097333241   0.1887107887
N    1.6245156803  -2.8406704280  -0.4090714793
N    2.4429916452  -4.8804279264  -0.5194365550
C    1.7202247239   0.6680440572   0.8867450991
C    3.3438413680  -0.4877724228  -0.5359520309
C    3.5073559207   1.0327575237  -0.4575413628
C    0.5763325168   1.3978439532   0.1683943131
C    1.4579427758   0.4674254000   2.3693075099
C    4.4903190296  -1.1646665258   0.2084710083
C    3.3007696998  -0.9215822593  -1.9940619832
C    0.3100156320   2.7997709829   0.7027552430
C    1.1740911629  -1.6147472426   0.1797792488
C   -0.7680941530   3.5333877328  -0.1019090663
C   -2.1038467476   2.8456718230  -0.0560303326
C    1.0993198799  -3.4079470954  -1.5436979439
C    2.4073787997  -3.7833119821   0.1799161392
C   -2.5639857019   2.0821961923  -1.1248343852
C   -2.9002328503   2.9208968944   1.0851989040
C    1.6383193231  -4.6558444032  -1.6028132747
C   -3.7756766268   1.4082419527  -1.0653265499
C   -4.1141245275   2.2565418514   1.1651680905
C   -4.5416546160   1.5007665250   0.0843534251
H    4.5540547314   1.3367013539  -0.4549798772
H    3.0130362809   1.5288242093  -1.3027368138
H   -0.3279484016   0.7964145677   0.2535986830
H    0.8008695603   1.4580367065  -0.9016455450
H    1.5168761623   1.4253061343   2.8864718051
H    2.2043147753  -0.1934665043   2.8111997548
H    0.4710646536   0.0522269714   2.5573423385
H    5.4371593243  -0.9078309953  -0.2687312702
H    4.4130792459  -2.2495667872   0.1889036665
H    4.5430261237  -0.8438775530   1.2493955503
H    2.4003954200  -0.5666371651  -2.4968457655
H    4.1571555409  -0.4839117016  -2.5111017003
H    3.3729045775  -1.9992685801  -2.1250452005
H   -0.0005033064   2.7566682396   1.7504026958
H    1.2242144593   3.3966987431   0.6735969519
H   -0.4402390531   3.6336338122  -1.1398672713
H   -0.8645614763   4.5484426532   0.2911797567
H    0.4278875734  -2.8778427779  -2.1980465466
H    2.8961248886  -3.6160652612   1.1269923879
H   -1.9692682978   2.0060269947  -2.0272927102
H   -2.5727412774   3.5107818773   1.9333535118
H    1.4883519657  -5.4026499197  -2.3667210102
H   -4.1128107194   0.8195767052  -1.9079470908
H   -4.7176811870   2.3302769605   2.0599157667
*