! 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   5.9674824723   1.6985059916  -0.3249328098
O   -2.4207129945  -1.2221722603  -1.4057934610
N   -2.5380276916   1.4801894221  -0.1189123696
N   -2.6067859981   1.6035454026  -1.4466740841
N   -2.2431200984   3.5954473258  -0.5061235293
C   -1.8757571427  -0.9104661747  -0.1409903439
C   -1.8476100469  -2.1918605310   0.7057765594
C   -0.3697242089  -0.6056506389  -0.3202923014
C   -0.7263469822  -3.0180925472   0.0563124151
C    0.2019122561  -1.9985537574  -0.6387492339
C   -3.1684750187  -2.9240073077   0.9950442148
C   -2.6997121104   0.1919615312   0.5280432006
C    0.3099101176   0.0303698731   0.9033639106
C   -3.8279548029  -3.6211441075  -0.1912747562
C   -2.9494169469  -3.9339860800   2.1208590392
C    1.7258156396   0.4443540903   0.6132026554
C   -2.3238429789   2.6760089160   0.4287985480
C    2.8104506214  -0.2515228832   1.1372961391
C    1.9861772975   1.5395681678  -0.2092220788
C    4.1169894067   0.1243986068   0.8554956125
C    3.2818600201   1.9315590382  -0.5031019495
C   -2.4205790740   2.8870809161  -1.6344500037
C    4.3412647607   1.2156972309   0.0340823249
H   -1.4834834610  -1.8701391412   1.6890443294
H   -0.2335580342   0.0751975897  -1.1667776141
H   -1.1255208285  -3.7252303932  -0.6716390598
H   -0.1951869053  -3.6105305124   0.8020568068
H    1.2367861954  -2.0925412123  -0.3066820415
H    0.2136306857  -2.1647439628  -1.7155691949
H   -3.8778273886  -2.1781367104   1.3729660381
H   -2.4225307767   0.3207449996   1.5733572521
H   -3.7580450009  -0.0759676986   0.5062127302
H    0.3032008990  -0.6608242430   1.7495621629
H   -0.2416837810   0.9158208565   1.2276830021
H   -2.4521272287  -0.4022688973  -1.9208452019
H   -3.1978355764  -4.4145516999  -0.5983746231
H   -4.7603771223  -4.0914553364   0.1286887382
H   -4.0659375916  -2.9363457618  -1.0007131269
H   -2.2720137370  -4.7346708072   1.8154364916
H   -3.8903235185  -4.4026177781   2.4160234332
H   -2.5247265576  -3.4645131704   3.0107652385
H   -2.2356678617   2.8274091433   1.4933095171
H    2.6413273818  -1.1026492782   1.7858970278
H    1.1654977245   2.1097186832  -0.6293799352
H    4.9452314979  -0.4302814263   1.2756404098
H    3.4604391701   2.7868983548  -1.1408011023
H   -2.4128198774   3.3236946336  -2.6209509198
*