! 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
F    4.8107190306   1.9052409315   0.3189379025
F   -1.8410508439  -1.6610522612   1.7194615795
F   -1.8118495678  -2.2862967681  -0.3668479937
O   -1.6353478236   2.5713316578   0.0074066153
N   -0.5407373248   0.5860743111  -0.1491363586
N   -5.1302613131   0.4490193765  -0.1230754656
N   -4.6972625674  -0.7588479887   0.2039663202
C    3.9865705354  -0.9766803795   0.0798750439
C    2.9188769255  -2.0903229944   0.2094545305
C    1.5700377920  -1.5099889173  -0.2487565692
C    3.1248317072   0.2673424477   0.0858686167
C    1.7751688450  -0.0262404441  -0.0612202689
C    4.9618836619  -1.0403449631   1.2554721365
C    4.7691779162  -1.0811500695  -1.2328012921
C    1.2204870392  -1.8657488344  -1.6957472994
C    0.8028552234   0.9799733152  -0.0537819444
C    3.5076117631   1.5891892594   0.1988837411
C    1.2239897643   2.3051341315   0.0719460946
C    2.5744062430   2.6033803902   0.1929471649
C   -1.6554470183   1.3522107594  -0.0548202642
C   -2.9526787962   0.6481698020  -0.0271006084
C   -3.3853561328  -0.6682274847   0.2647518435
C   -4.1330012809   1.3252780494  -0.2631346665
C   -2.6465004699  -1.8942310919   0.6482160524
C   -6.5453258784   0.7125690337  -0.2648737921
H    2.8382901301  -2.3843846689   1.2584751913
H    3.1954790132  -2.9869449674  -0.3493256152
H    0.7751878137  -1.8862883145   0.4018152283
H    4.4558641284  -0.8639103390   2.2062494252
H    5.4177967960  -2.0316975207   1.3050962084
H    5.7722984336  -0.3175245633   1.1645864790
H    5.3465610557  -2.0078569347  -1.2602154224
H    4.1143159307  -1.0747957256  -2.1045388589
H    5.4718550546  -0.2537226146  -1.3444373660
H    2.0166600447  -1.5755604100  -2.3816777600
H    0.3107006987  -1.3741482860  -2.0444238123
H    1.0681590869  -2.9409292234  -1.7986487856
H    0.5180142565   3.1175435497   0.0750595189
H    2.8898384190   3.6346457766   0.2860355067
H   -0.6819214804  -0.3963665142  -0.3111888435
H   -4.3100960243   2.3566277850  -0.5223935150
H   -3.3179798433  -2.7217890230   0.8755174428
H   -6.7585309579   1.1072979808  -1.2555905454
H   -7.0834311225  -0.2199774840  -0.1295108971
H   -6.8746488010   1.4273766020   0.4862772973
*