! 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  -5.3737045324   0.9490702191   0.8405394855
F   -0.2878341654  -0.6104381283  -2.0497541808
F   -0.8578015460  -2.4965636789  -1.1855393256
F   -2.2242488862  -1.4410812231  -2.4590178395
O    2.2705166004   2.1055023951   0.1734178574
N    2.5309222207  -0.6115009675   0.9177293949
N    0.2730119830  -0.7422608322   0.7916377767
N    4.0054878348  -2.2414376613   0.7443967155
C    1.2805184247   0.0127958901   0.8943657016
C    1.2859259175   1.5270068287   0.9717117504
C    2.0134736525   2.0091454675  -1.2172702467
C   -1.0340167391  -0.2816991415   0.7853403654
C    3.1773193283   2.6003685964  -1.9804491763
C   -1.8685771176  -0.5600943505  -0.3054933680
C   -1.5791672546   0.3614909131   1.8948930121
C   -3.1995871592  -0.1704954422  -0.2894888476
C    3.7322574144  -0.1053057168   1.3741932855
C    4.4796209785   1.8366687685  -1.7933095794
C    2.7681085529  -1.9100936122   0.5534660335
C   -1.3109010828  -1.2776566992  -1.4974460839
C   -2.9088872076   0.7415149903   1.9196270655
C   -3.7103670299   0.4773135012   0.8225897481
C    4.6169771669  -1.1254621688   1.2637384730
H    1.4751617541   1.8311833378   2.0054219657
H    0.2854241287   1.8941410978   0.7131754295
H    1.0837693973   2.5391772000  -1.4623128545
H    1.8776453953   0.9622493539  -1.5200506496
H    2.8989832627   2.6014962130  -3.0373414906
H    3.3056914099   3.6490260058  -1.6979750961
H   -0.9588982999   0.5488407804   2.7619053270
H   -3.8463371743  -0.3696299096  -1.1323096489
H    3.8549040719   0.8967196481   1.7427370711
H    4.3639794608   0.7849510514  -2.0636971680
H    5.2676734807   2.2521517275  -2.4229769475
H    4.8318851439   1.8731091242  -0.7625627901
H    1.9903013599  -2.5375966881   0.1495124133
H   -3.3093640964   1.2393861117   2.7922153744
H    5.6623495298  -1.1200415535   1.5298503626
*