! 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   -3.2400630590  -3.0816244553  -0.0257768583
F   -1.5451447754  -2.4316514085  -1.2462829804
O   -2.1952410192   0.2827291102  -2.6641419450
N   -0.6567656835   1.6857393648  -1.8118042630
N   -2.6858390027   0.3952177353   1.7613172793
N   -2.9898622450  -0.8205832450   1.3181172719
C    2.8443272775  -0.4302171121  -0.2480940795
C    1.3016616922  -0.3217008476  -0.3407037329
C    2.9184499679   0.3961002988   1.0611823478
C    0.8775344445  -0.9087804664   1.0294170554
C    1.9822323133  -0.4122036809   1.9907208160
C    1.1506529727   1.1713541791  -0.2406128117
C    2.1443372662   1.6148589207   0.6393091291
C    3.4448154285  -1.8339744789  -0.2228010097
C    0.2914366730   2.0784415041  -0.8365350898
C    2.2787192733   2.9515138331   0.9547444195
C    4.9596899308  -1.7592692558  -0.0613194786
C    3.0794219899  -2.5991821733  -1.4904161129
C    0.4344882085   3.4349375844  -0.5320454453
C    1.4113903423   3.8635204004   0.3525992861
C   -1.6423295246   0.7691348066  -1.6862479981
C   -2.0704893326   0.4009632181  -0.3307063358
C   -2.6305909885  -0.8323985793   0.0540616800
C   -2.1294056827   1.1635640290   0.8176690687
C   -2.7737321606  -2.0569402865  -0.7815486360
C   -3.0051130739   0.7795758058   3.1176206727
H    3.3112810257   0.1212276690  -1.0733118131
H    0.8199332149  -0.7892954941  -1.1978201865
H    3.9071230543   0.5949110406   1.4731332765
H    0.8431213821  -1.9981296648   0.9814895724
H   -0.1136304984  -0.5761953938   1.3275663771
H    1.5914456613   0.2028639699   2.8021421638
H    2.5178632635  -1.2426220882   2.4538676944
H    3.0463247619  -2.3935750028   0.6291315302
H    3.0503583243   3.2948085537   1.6331257585
H    5.4036647229  -2.7565691628  -0.0480543857
H    5.4181647396  -1.2068318915  -0.8855974537
H    5.2507349809  -1.2654382545   0.8674861284
H    3.5429049063  -3.5876035083  -1.4991010473
H    2.0027650651  -2.7502146270  -1.5835471713
H    3.4171028077  -2.0707827319  -2.3857677527
H   -0.2236498130   4.1550364061  -1.0026416473
H    1.5057427880   4.9201962450   0.5678560949
H   -0.4835398686   1.9991415099  -2.7582419602
H   -1.8358568036   2.1815473885   1.0168566802
H   -3.4337549906  -1.9286889043  -1.6380944363
H   -2.1627302253   1.2999462432   3.5657727001
H   -3.8794920035   1.4273143718   3.1390813813
H   -3.2113493331  -0.1181076741   3.6912784959
*