! 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  -4.4608219864   1.9323457825   0.8523126117
F   -2.1686935602  -1.7120541273  -1.9639153353
F   -0.0989328354  -1.1486175111  -1.9870733822
F   -0.7902195084  -2.6405160768  -0.6048788732
O    1.1888108442   1.4395496455  -0.9485119447
N    2.9132066406  -1.4346500641   0.5564013233
N    0.7793243367  -0.7640346783   0.8801948063
N    4.8906603067  -2.4095320073   0.4790015037
C    1.8602300966  -0.5515115736   0.2767477558
C    2.1912560756   0.5039726321  -0.7576579226
C    1.3564450084   2.6719782218  -0.2654660092
C   -0.4154362267  -0.0737183773   0.7836737884
C    0.5932372989   3.7574069162  -0.9939372205
C   -1.3968069373  -0.4134597601  -0.1572595728
C   -0.7375013503   0.8554843357   1.7723791472
C   -2.6385370730   0.2072247577  -0.1322998170
C    2.8615062851  -2.4988985389   1.4329427451
C   -0.9114830089   3.5438999472  -1.0422419281
C    4.1692887076  -1.4395054946   0.0125724093
C   -1.1168588094  -1.4736933561  -1.1756146467
C   -1.9732060666   1.4722074164   1.8002781120
C   -2.9161699263   1.1504499878   0.8390598820
C    4.0845017360  -3.0781457230   1.3680811669
H    2.3765712009  -0.0122299858  -1.7058133645
H    3.1384898174   0.9794057223  -0.4752886582
H    2.4201065793   2.9372974449  -0.2281010509
H    1.0078676942   2.5912010349   0.7718520584
H    0.8132152241   4.6998162255  -0.4851469682
H    0.9944183462   3.8568506479  -2.0066239496
H   -0.0068395884   1.0871753641   2.5359482483
H   -3.3949144382  -0.0411134379  -0.8633730579
H    1.9796859097  -2.7331185729   2.0021344353
H   -1.3407134949   3.5227642547  -0.0401878890
H   -1.3987259077   4.3523427161  -1.5892439295
H   -1.1765339208   2.6084822228  -1.5348716733
H    4.4973755046  -0.7168102208  -0.7169518777
H   -2.1941349211   2.1974310321   2.5717776192
H    4.4342415320  -3.9412945950   1.9121165588
*