! 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    0.9271457814   1.9428929331   1.8215853750
F    4.1727667230  -1.6196437280  -1.2555302174
O   -1.1571980784  -0.0720741256   1.7896760808
N   -1.6961685807  -1.8110727103  -0.5315785631
N   -1.8101913326  -2.5469618326   0.5785870373
N   -1.1017764548  -3.8114732717  -1.1205770151
C   -0.8547251589   0.2692620595   0.4604526192
C   -1.8827909208  -0.3826001848  -0.4932535062
C    0.5325270784  -0.2118129465   0.0346501936
C   -0.9324205379   1.7867109586   0.3868014247
C    1.2697477423  -1.0892873550   0.8185509527
C    1.0548315259   0.1853358358  -1.1929653833
C   -0.0177136282   2.5572381793   1.0971634642
C   -1.9016387753   2.4762637680  -0.3352889866
C    2.4981674428  -1.5721853211   0.3887569042
C    2.2816264245  -0.2817874437  -1.6376028488
C   -0.0254905518   3.9367342402   1.0833450526
C   -1.9397216400   3.8639152922  -0.3600599076
C   -1.2614856051  -2.5753176404  -1.5329023999
C    2.9830139557  -1.1596325070  -0.8345016647
C   -0.9989579997   4.5948888153   0.3460340426
C   -1.4450425825  -3.7400704871   0.1768154766
H   -2.9006250184  -0.1675403534  -0.1648682622
H   -1.7674886055  -0.0202313466  -1.5129796764
H    0.9058675233  -1.4084513546   1.7850374766
H    0.5095813577   0.8769816682  -1.8245056519
H   -2.6522440851   1.9385548644  -0.8976749665
H   -1.3823514107  -1.0163100520   1.8274261919
H    3.0670424634  -2.2564466852   1.0045601465
H    2.6822884713   0.0343207130  -2.5915945610
H    0.7190069784   4.4859106352   1.6447554153
H   -2.7075490020   4.3667991896  -0.9321070918
H   -1.0866991844  -2.1939847393  -2.5261650005
H   -1.0168974031   5.6762091426   0.3281888723
H   -1.4300366481  -4.5856855487   0.8458616963
*