! 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  -3.0100026339  -2.5251845325   2.0094072410
Cl  -5.4282223632  -0.9452355443   1.8124721996
F    5.4791902278   1.6160840401  -1.2208681854
F    4.2582428574   0.6494110627  -2.7503737144
O    2.5353381863   2.0356148280  -0.6659955276
N    0.8616870024   0.6308500938  -0.0271108411
N    4.0830011983  -1.9673755872   0.6976293291
N    4.9306992470  -1.4624085597  -0.1868413902
C   -1.9217590678  -0.5920376166  -0.3731963762
C   -3.8163588141   0.6560476035  -0.5289897648
C   -2.3606400551  -0.7884196257  -1.8493599427
C   -3.6519468027   0.0636234571  -1.9553413752
C   -3.2790732311  -0.4980767072   0.2798168890
C   -1.5087377348   0.8580156368  -0.2389007941
C   -2.6719231707   1.6216560217  -0.3341279327
C   -0.2619472077   1.4568593472  -0.1235635180
C   -2.6313612661   3.0001011566  -0.3109769656
C   -3.8283743632  -1.2201611061   1.2343151390
C   -0.2164356351   2.8564007944  -0.0698483548
C   -1.3834039289   3.6008177133  -0.1648554691
C    2.1614467121   0.9443560915  -0.2818425886
C    3.0997137338  -0.1655440119  -0.0520818726
C    4.3625361441  -0.3684804846  -0.6472462912
C    2.9719794506  -1.2315764762   0.8158672612
C    5.0778570651   0.4055323528  -1.6928508516
C    4.4295699489  -3.1468964854   1.4582116354
H   -1.2406269863  -1.3520246181   0.0035909240
H   -4.8088478750   1.0307577400  -0.2938611904
H   -2.5674399758  -1.8420216679  -2.0394235836
H   -1.5802010956  -0.4746153702  -2.5420780682
H   -3.5861722346   0.8497961098  -2.7071169244
H   -4.5128989759  -0.5581905402  -2.2023896034
H   -3.5303756672   3.5972247573  -0.3924545399
H    0.7213071798   3.3735501023   0.0542781671
H   -1.3116366353   4.6798201928  -0.1178627591
H    0.6625447832  -0.3446970011   0.1244599583
H    2.1949280281  -1.4950121441   1.5163836644
H    5.9570701067  -0.1330415227  -2.0500745703
H    4.7750682414  -2.8744155516   2.4537588043
H    5.2210750224  -3.6754154155   0.9366619089
H    3.5641021431  -3.7983859751   1.5435955605
*