! 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   5.3955995791   3.1218036187  -0.9683299079
O   -2.2821116797   0.0593732916   2.0438794203
N   -0.9471064104  -2.7857780937   0.2184592456
N    0.3675552425  -2.8052611910  -0.0156390066
N   -0.6934427812  -4.1843625294  -1.4229837221
C   -1.7795898027  -0.5109056624   0.8500302814
C   -2.7275920542  -0.3377248906  -0.3515531854
C   -0.5344110461   0.2511563604   0.3606297545
C   -2.5413776595   1.1402718867  -0.7423333983
C   -1.1258157424   1.5263373389  -0.2582580429
C   -4.1752323656  -0.8395335061  -0.2378152494
C   -1.5261759314  -1.9659296515   1.2557263979
C    0.5338792498   0.4899080471   1.4237318668
C   -5.0705987050  -0.0880381521   0.7444012924
C   -4.8211615030  -0.8469207880  -1.6227229643
C    1.7538026188   1.1516615196   0.8482596019
C   -1.5648882115  -3.6150437229  -0.6257617973
C    1.9936867613   2.5109177569   1.0223927228
C    2.6658841347   0.4150308675   0.0942463540
C    3.1071560740   3.1260163607   0.4668341487
C    3.7849512051   1.0093794789  -0.4673308021
C    0.4723131688  -3.6533439034  -1.0072759860
C    3.9959513140   2.3663989235  -0.2747740584
H   -2.2724616402  -0.9252596170  -1.1583522935
H   -0.0840315339  -0.3370790120  -0.4440505048
H   -3.2956516439   1.7780793717  -0.2757411638
H   -2.6557841764   1.2784678562  -1.8170940035
H   -0.5019021642   1.9022818045  -1.0685400911
H   -1.1736554019   2.3297690779   0.4826131711
H   -4.1364872338  -1.8831658543   0.0982742691
H   -2.4651911505  -2.4319902475   1.5567669893
H   -0.8625738721  -2.0083080193   2.1200770298
H    0.8259600568  -0.4657807827   1.8675951630
H    0.1289550940   1.1031467492   2.2314100393
H   -2.5699170158   0.9632548895   1.8785181058
H   -6.0857257757  -0.4880244194   0.7011497985
H   -4.7339734909  -0.1809644248   1.7748685174
H   -5.1427670229   0.9754113548   0.5066252570
H   -5.8127644278  -1.3022385052  -1.5895263909
H   -4.2261715722  -1.4116419395  -2.3439494901
H   -4.9434399352   0.1644749605  -2.0174427737
H   -2.6320111556  -3.7760881845  -0.6163784278
H    1.3053299121   3.1092644873   1.6071593463
H    2.5021976722  -0.6464019761  -0.0552776174
H    3.2758604142   4.1839636488   0.6172079280
H    4.4839731636   0.4188204970  -1.0444016361
H    1.4273524770  -3.9025977775  -1.4434114970
*