! 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  -5.4486699168   3.3483264321   1.5339687998
O    1.9668173851   1.4280805407   0.5604339244
O    3.3288441114  -2.2384839396  -1.5338465958
N    2.6232871483  -0.6119396509  -0.1205517506
N    1.5505430020  -2.7051530436  -0.2060502340
N   -0.1494117954  -4.0954664163  -0.3388966738
C    1.5989453229   0.0805777104   0.7217005317
C    3.7176551820   0.3240184540  -0.4789749782
C    3.3677811018   1.4805549917   0.4554245610
C    0.1585014005  -0.0532739667   0.2346671367
C    1.7043726226  -0.3063263228   2.1950426044
C    5.0993658501  -0.2241149248  -0.1545564002
C    3.6238646056   0.7801859723  -1.9335128571
C   -0.0860814500   0.2997324860  -1.2252404428
C    2.5779156291  -1.8270945757  -0.6747685298
C   -1.5369965442   0.0517384155  -1.6480387710
C   -2.5313543195   0.8639141807  -0.8661409703
C    1.4811573414  -3.3475923249   1.0056174545
C    0.5598190836  -3.2162409842  -0.9847191141
C   -2.6615642488   2.2331576670  -1.0906432206
C   -3.3236822970   0.2838488961   0.1198056017
C    0.4206363814  -4.1943189421   0.9008326011
C   -3.5524877892   3.0033232172  -0.3597993899
C   -4.2217023611   1.0369664437   0.8633711058
C   -4.3278350833   2.3950758398   0.6156937117
H    3.8528190611   1.3682286503   1.4336162466
H    3.6568911049   2.4486629040   0.0465087931
H   -0.4308963367   0.6107410722   0.8737047889
H   -0.2123281453  -1.0558305845   0.4536722926
H    1.1649241536   0.4279304243   2.7945072000
H    2.7368265205  -0.3388454070   2.5432638290
H    1.2536167111  -1.2747952518   2.3957065022
H    5.8221915158   0.5936330158  -0.1772150997
H    5.4309950963  -0.9724524810  -0.8707990609
H    5.1291807118  -0.6630971906   0.8437266641
H    4.4023190491   1.5187217722  -2.1320834430
H    3.7664194931  -0.0417499419  -2.6314856303
H    2.6620937339   1.2484188710  -2.1466932243
H    0.1722522723   1.3457202817  -1.4055778202
H    0.5570498409  -0.2885958064  -1.8850229620
H   -1.7699498294  -1.0111325224  -1.5412733840
H   -1.6325203415   0.2811514350  -2.7121142323
H    2.1952190080  -3.1823286339   1.7938550465
H    0.4020105366  -2.8901222034  -2.0014483765
H   -2.0610585217   2.7142944264  -1.8539210070
H   -3.2469131833  -0.7788824032   0.3166639711
H    0.0464161992  -4.8753070596   1.6491362112
H   -3.6419165609   4.0639999398  -0.5528835486
H   -4.8294656039   0.5649664956   1.6237446169
*