! 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  -4.7149727699   1.5731973331   0.9693257488
F   -1.9491704759  -1.2372530117  -2.3502204698
F    0.0946367438  -0.7329402481  -1.9334618367
F   -0.7720073015  -2.5005689720  -1.0735105355
O    0.9459306015   1.7031177664   0.1394202391
N    2.8304086708  -1.3438782419   0.6754636703
N    0.6149787371  -0.9460001745   0.9332756125
N    3.9604865099  -3.1973719841   1.0567943125
C    1.7304296655  -0.4799592117   0.5887274852
C    2.0671670813   0.8931896892   0.0680920910
C    1.1941898566   3.0707289575  -0.1240419909
C   -0.6086331429  -0.2974946788   0.9047653333
C    1.4120792057   3.3907566409  -1.5928773764
C   -1.4696775731  -0.4354682342  -0.1889577111
C   -1.0622690423   0.3855537084   2.0309217987
C   -2.7315138574   0.1456713588  -0.1687729611
C    4.1455146637  -1.0793017354   0.3467023347
C    0.2372378737   3.0016297336  -2.4759057970
C    2.7889994290  -2.6447634823   1.0961058766
C   -1.0283753298  -1.2230497374  -1.3821575305
C   -2.3165405417   0.9609763699   2.0559760112
C   -3.1429215799   0.8457544321   0.9486459279
C    4.8167551787  -2.2314135200   0.5887521077
H    2.4564605347   0.7824469612  -0.9542251256
H    2.8927533753   1.2957237299   0.6738362064
H    2.0503515617   3.4208660089   0.4686487111
H    0.3116894214   3.6010859608   0.2409117579
H    1.5850805410   4.4686684957  -1.6587555238
H    2.3310174058   2.9220821600  -1.9580675289
H   -0.4155089896   0.4711830376   2.8937581208
H   -3.3966286772   0.0548504561  -1.0160704831
H    4.4878221412  -0.1279312423  -0.0213015236
H   -0.6832449588   3.4888681217  -2.1475784076
H    0.4110326838   3.2937410159  -3.5123067084
H    0.0597933513   1.9268248743  -2.4648098592
H    1.8713032805  -3.1119180703   1.4132723624
H   -2.6437634153   1.4991441106   2.9353816719
H    5.8700246943  -2.4195577857   0.4526475900
*