! 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    1.4524698522   1.9422633418   1.2128279742
F    1.3980572636   2.0264094951  -0.9663649215
O    1.7754831188  -2.1899119800  -1.3282301633
N    0.6067523407  -0.9116936459   0.1439270187
N    5.0672392175  -0.0419539799   0.0089464032
N    4.4664999684   1.1279157760   0.1594284409
C   -3.2467338600   1.1648647187   0.1512219636
C   -1.8972869991   0.7650290850   0.7920976932
C   -3.9891309783  -0.0673972823   0.7162658072
C   -2.2987639682   0.6922319808   2.2852243570
C   -3.7361320805   0.1167948968   2.2326010506
C   -1.7758534223  -0.6612553318   0.3177813562
C   -3.0740583063  -1.1743508284   0.2678120027
C   -3.2674591564   1.3536593267  -1.3631965830
C   -0.6826413017  -1.4584142546   0.0143912165
C   -3.3148442397  -2.4793294639  -0.1072052599
C   -2.3554960750   2.5030407921  -1.7800071282
C   -4.6900389460   1.6022941317  -1.8545918617
C   -0.9216892839  -2.7843095603  -0.3739951127
C   -2.2173297448  -3.2729921252  -0.4371433396
C    1.7244559930  -1.2657611220  -0.5331481848
C    2.9386732151  -0.4796844055  -0.2326031763
C    3.1785677502   0.8877951932   0.0250615291
C    4.2032814769  -1.0310239821  -0.2430529845
C    2.2453569407   2.0361761967   0.0979397416
C    6.5050930052  -0.1329214265   0.1076567347
H   -3.6242115924   2.0855907758   0.6145502490
H   -1.0515978119   1.4195263483   0.5923347926
H   -5.0391187209  -0.1873657666   0.4529142171
H   -2.2865021796   1.6903267427   2.7266180895
H   -1.6134424211   0.0744445076   2.8667873252
H   -3.8414680629  -0.8187007866   2.7827426688
H   -4.4588728422   0.8200065704   2.6500682783
H   -2.9005421510   0.4406673232  -1.8442749989
H   -4.3200418793  -2.8798094641  -0.1539403149
H   -1.3109312942   2.3133874929  -1.5300954302
H   -2.4007032570   2.6683794759  -2.8582760617
H   -2.6462504113   3.4379510637  -1.2934016264
H   -5.3528188349   0.7634466418  -1.6364354694
H   -5.1218374932   2.4926802737  -1.3896642783
H   -4.7109054091   1.7558295905  -2.9353420234
H   -0.1030328345  -3.4411324929  -0.6206797985
H   -2.3705278557  -4.2990061862  -0.7469795103
H    0.6937956532  -0.1667618020   0.8163308703
H    4.5227830068  -2.0488432831  -0.3977283095
H    2.7673823077   2.9923783933   0.1333819655
H    6.8043579881  -1.1657929031  -0.0413815670
H    6.9719685044   0.4866352310  -0.6549805237
H    6.8354110370   0.1946723825   1.0909258506
*