! 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  -0.9883410559   0.7999783190  -2.8150248182
Cl  -3.2628860322   3.3643873008   1.2840481084
F    4.1193758144  -1.1678197313  -0.0680476817
F    2.9685563464   0.1374333302  -1.3410464653
F    3.0187956703   2.0917093696   0.6169478541
F    4.9773305722   1.4018710613  -0.0598355646
O    2.1171047170  -0.4727085177   0.6376364779
N   -1.6112481020  -2.7114725221  -0.0591794914
N   -1.1990467052  -3.3481727398   1.0394800955
N   -3.3841781833  -2.8868853341   1.1788863695
C    0.2019444666  -1.1399214644  -0.7448927477
C   -0.6974144938  -2.3335210012  -1.1087756768
C    1.3148161007  -1.5788959943   0.2019213091
C   -0.6270147256   0.0115458368  -0.2354996035
C   -1.2237597219   0.9271664075  -1.1004672546
C   -0.8940652961   0.1708777589   1.1223973368
C    3.2194907756  -0.1503106457  -0.0382988387
C   -2.0311302376   1.9609639199  -0.6512013301
C   -1.6993561687   1.1876412974   1.6045235271
C   -2.9130785859  -2.4358030910   0.0412031897
C   -2.2595654115   2.0806175014   0.7075925876
C    3.8776140642   1.0497028612   0.6417995226
C   -2.2949654670  -3.4328303540   1.7514701882
H    0.6693790806  -0.8519295550  -1.6872802893
H   -1.2965947708  -2.0831455760  -1.9826447641
H   -0.0916948071  -3.2002211361  -1.3751501572
H    0.9288740625  -2.0270823233   1.1151866562
H    1.9207507408  -2.3432946514  -0.2890623644
H   -0.4697611303  -0.5161332852   1.8421011133
H   -2.4726773697   2.6562815342  -1.3515074371
H   -1.8824224602   1.2772660284   2.6662435982
H   -3.4663445250  -1.9234127401  -0.7304863915
H    4.1573553236   0.8308172543   1.6729004222
H   -2.3093241713  -3.9112174993   2.7185571412
*