! 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  -5.1009151955   1.6057566783  -0.1595129632
F   -2.5191177612  -2.5101256109   1.5747446774
F   -1.1671553735  -3.0003067600  -0.0192340162
F   -0.4836908896  -1.8266802153   1.6488959694
O    2.2766283666   1.6539446341   0.3119266556
N    2.4965867336  -0.9936955880  -0.7784352063
N    0.2562519721  -0.7136080074  -0.9838092726
N    4.6150293794  -1.6030357923  -0.8282075488
C    1.3110972508  -0.3729545231  -0.3828299315
C    1.4220360823   0.6308496368   0.7362128170
C    2.5255489116   2.6190255792   1.3175869733
C   -0.9826597432  -0.1413558819  -0.7268521881
C    3.5279657129   3.6253511619   0.7957707424
C   -1.9132428546  -0.7704411585   0.1085303964
C   -1.3533998808   1.0302996049  -1.3821523990
C   -3.1791775538  -0.2286437499   0.2841676685
C    2.6198217907  -1.9022493281  -1.8107736043
C    3.8565463651   4.6790153003   1.8423270952
C    3.7431389154  -0.8583607645  -0.2264235742
C   -1.5261732341  -2.0276665502   0.8243865299
C   -2.6140101106   1.5722246231  -1.2103588101
C   -3.5199417349   0.9374556158  -0.3770518862
C    3.9260004847  -2.2583756481  -1.8217790459
H    1.7991036732   0.1269629618   1.6378713902
H    0.4249396675   1.0114897505   0.9835618079
H    2.9141288615   2.1321526327   2.2231689968
H    1.5900078100   3.1206661427   1.6009268524
H    4.4410342732   3.1029626310   0.4981574158
H    3.1282569901   4.1056916031  -0.1011623908
H   -0.6481292628   1.5152601967  -2.0438215142
H   -3.9011063822  -0.7054048585   0.9321864863
H    1.7837650346  -2.1977521136  -2.4193870315
H    2.9678148245   5.2332771932   2.1493887238
H    4.2937867686   4.2332116510   2.7376851978
H    4.5742349111   5.4021730705   1.4546901586
H    3.9492152447  -0.2077020330   0.6065581422
H   -2.8819593744   2.4832696102  -1.7277244138
H    4.4146571907  -2.9512739977  -2.4881476119
*