! 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   5.9211745614   0.1222120924  -0.3993115324
O   -2.7485825206   0.2815300237   1.6300391876
N   -2.1133852672  -1.8324717781  -0.3054255314
N   -2.2396926525  -2.4299598442   0.8843750652
N   -0.6551644083  -3.4393886131  -0.3234811466
C   -3.1345179217   1.8574384746  -0.1739046399
C   -2.4308700105   0.5541225630   0.2925827594
C   -2.2923801734   2.2507432959  -1.3941240923
C   -0.9552289056   0.8469279825   0.0370209479
C   -0.8469313502   1.9388777389  -0.9944519968
C   -2.8589261064  -0.6339078626  -0.6046804678
C   -2.9987493949   2.9268759200   0.9142659345
C   -4.6103750421   1.6893753120  -0.5115769870
C    0.0220018535   0.1593861785   0.6332866913
C    1.4641141589   0.2229742992   0.3866194507
C   -1.1555063694  -2.4353855539  -1.0081159864
C    2.1415556937   1.3548287185  -0.0736948550
C    2.2177570370  -0.9320621575   0.6214948677
C   -1.3470306169  -3.3894972823   0.8282771754
C    3.5069318486   1.3304165749  -0.3105616020
C    3.5795007425  -0.9760952422   0.3800251025
C    4.2169212460   0.1613068195  -0.0905899601
H   -2.4318822487   3.2985646039  -1.6644805322
H   -2.5864021441   1.6652722618  -2.2696708318
H   -0.3846547135   2.8280964990  -0.5589962680
H   -0.2211266933   1.6549388539  -1.8444625132
H   -2.7062578102  -0.4149715056  -1.6598316371
H   -3.9173479489  -0.8531034238  -0.4594388008
H   -1.9723385170   3.0578611929   1.2629104740
H   -3.3341904792   3.8902844166   0.5248094960
H   -3.6120200214   2.6985141618   1.7859154752
H   -5.0519792527   2.6578893652  -0.7551359465
H   -4.7780167984   1.0418026050  -1.3736827541
H   -5.1721640160   1.2811824129   0.3311930439
H   -2.6344169524  -0.6633256766   1.8117355221
H   -0.2607835587  -0.5990534251   1.3586565714
H   -0.8674357063  -2.1216508465  -1.9990313346
H    1.6168025877   2.2852094874  -0.2329843959
H    1.7251572095  -1.8254679560   0.9858151668
H   -1.1968807475  -4.0772692399   1.6457593270
H    4.0091450530   2.2225235034  -0.6599622127
H    4.1333643873  -1.8881016837   0.5571349734
*