! 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  -4.6646367978   1.7617336233   0.7703424682
F   -0.0201639482  -0.9945480121  -2.0144563094
F   -0.9584501450  -2.6412480381  -0.9981813253
F   -2.0937375314  -1.4324655477  -2.3603488504
O    1.1280518975   1.7742631877   0.1754003804
N    2.7635848029  -1.4603924016   0.7302720663
N    0.5564972489  -0.9730846266   0.8039164852
N    4.7978977093  -2.3130988788   0.7489818277
C    1.7175779203  -0.5379511887   0.5981684699
C    2.1657682436   0.8608797752   0.2214544766
C    0.6460292261   2.1841083060  -1.0956441150
C   -0.6303973637  -0.2645147425   0.7641439508
C    0.6785390209   3.6954842882  -1.1983685415
C   -1.5350014142  -0.4732608028  -0.2840069444
C   -1.0201964593   0.5483993631   1.8283350406
C   -2.7755147439   0.1546567387  -0.2839834537
C    2.6275269696  -2.7950862101   1.0533225709
C    2.0817870847   4.2783486640  -1.1346509978
C    4.1034020301  -1.2362947933   0.5587621461
C   -1.1550069793  -1.3831785640  -1.4102542354
C   -2.2526671077   1.1681263984   1.8345340748
C   -3.1227595595   0.9749782601   0.7711835816
C    3.8869589244  -3.2939637430   1.0592048860
H    2.7110113340   0.8015549854  -0.7292048494
H    2.8884675977   1.1915674713   0.9752414601
H   -0.3797245052   1.8239623395  -1.2201090944
H    1.2454376590   1.7413912326  -1.8995342072
H    0.2037661323   3.9683471750  -2.1447382569
H    0.0544058175   4.1269146961  -0.4103462877
H   -0.3441153018   0.6949715045   2.6598387331
H   -3.4703108299   0.0075535349  -1.0990581724
H    1.6694290818  -3.2465278510   1.2401873114
H    2.0623205144   5.3620235224  -1.2574375063
H    2.5655587906   4.0711402349  -0.1789270123
H    2.7178086833   3.8718185882  -1.9242471273
H    4.5108125191  -0.2724842231   0.2991629223
H   -2.5308299180   1.8028205183   2.6651710885
H    4.1955043949  -4.3060585968   1.2684390355
*