! 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   0.5504286719  -0.3782664822   2.0241373778
Cl  -7.4679657408  -1.0048126927   0.9939697623
O    3.2092877146  -0.1586361653   0.7874130717
O    3.4665251195   0.6939717417  -1.2453028389
O   -2.4169173046  -1.4003988406  -1.9433883774
N    3.6977344013   2.6319152995   0.7558549536
N    4.3986346610   3.3777330748  -0.1004576368
N    5.5647684292   3.0402747206   1.7807308112
C    2.5884573687   0.6459377418  -0.1649177321
C    4.0157493678  -1.1215521252   0.1158584923
C    2.4283583645   2.0619850232   0.3923529893
C    4.1215017078  -0.5597367894  -1.3111232046
C    1.2273736072   0.0918615308  -0.5861805659
C    3.4163670097  -2.5094900280   0.1753197196
C    0.2745896815  -0.3836669325   0.3125766293
C    0.8839849490   0.0682195294  -1.9355733283
C   -0.9496118336  -0.8819632747  -0.1055781705
C   -0.3335599394  -0.4129251172  -2.3814567322
C   -1.2511246106  -0.8914443532  -1.4598228719
C    4.4069843246   2.4324553690   1.8696475557
C    5.5054950624   3.6031178264   0.5570980314
C   -3.5714142427  -1.2811596433  -1.2181949004
C   -4.3906632182  -2.3953978630  -1.1285743743
C   -3.9501216642  -0.0769909946  -0.6387936333
C   -5.5991563048  -2.3098215363  -0.4541389352
C   -5.1509054922   0.0055003667   0.0467415852
C   -5.9671752590  -1.1116854819   0.1359034058
H    4.9898313185  -1.1225809421   0.6106612878
H    1.7784119441   2.0519312529   1.2661429651
H    1.9659480522   2.7058412874  -0.3539760349
H    5.1513415405  -0.3953785052  -1.6274197335
H    3.6399165696  -1.2200514905  -2.0409332020
H    2.4475511007  -2.5562050989  -0.3240796598
H    3.2886702720  -2.8419673743   1.2056332081
H    4.0813441260  -3.2193546690  -0.3201035225
H    1.5854298773   0.4444716400  -2.6673966969
H   -1.6509726409  -1.2615512563   0.6256867626
H   -0.5678222783  -0.4167932213  -3.4378798085
H    4.0423750676   1.8579271923   2.7062789453
H    6.3027927277   4.1995605002   0.1410341589
H   -4.0911095584  -3.3294481039  -1.5858424865
H   -3.3236625801   0.8023923042  -0.7170966115
H   -6.2385840767  -3.1792491412  -0.3853268983
H   -5.4448352996   0.9425193274   0.4995164126
*