! 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  -6.7434637116   0.5742114863   0.2233587032
F    2.7646975641  -2.8109042525   1.3793794352
F    4.0559992527  -2.2510398019  -0.2215755332
F    3.7816335200  -0.9463431922   1.4859756444
O    4.4849030929   0.3736526777  -0.7849358814
O   -1.5283035591  -2.0310050489  -0.3554661822
N    1.8495528561   2.3546516682   0.7058075054
N    1.2105831844   3.3099323672   0.0268588166
N   -0.1644938298   2.3611876631   1.5159688922
C    3.2438300945   1.0245905401  -0.8895041019
C    2.0554289321   0.0570413313  -0.8422848169
C    3.1853903885   1.9367234763   0.3675201568
C    3.2530677935   1.8938152642  -2.1486492313
C    1.9799928483  -1.1199257639  -0.0701125874
C    0.8910588483   0.4465203154  -1.5026334273
C    0.7649491264  -1.7859801393   0.0701345515
C   -0.3125715820  -0.2202076280  -1.3813071044
C   -0.3802531571  -1.3241117647  -0.5538164146
C    3.1528829904  -1.7634127189   0.6348070242
C    1.0150990566   1.7924217308   1.5843016039
C    0.0093880681   3.2819106571   0.5470102909
C   -2.7171294111  -1.3674678767  -0.2217504965
C   -2.8270984019  -0.1575205965   0.4535374688
C   -3.8424378559  -1.9840884878  -0.7486668757
C   -4.0704139912   0.4401653623   0.5860695971
C   -5.0867275120  -1.3917297669  -0.6042547297
C   -5.1920581736  -0.1781931282   0.0562336270
H    3.5850359900   1.4078862620   1.2290733505
H    3.8014938077   2.8224505455   0.2128035777
H    3.2235772093   1.2854835579  -3.0550626511
H    2.4359813175   2.6103630931  -2.1926697982
H    4.1776466369   2.4728916218  -2.1601147007
H    0.8984452073   1.3193474971  -2.1364446776
H    0.6819870520  -2.6771154561   0.6753526003
H    4.7115228650   0.0023418519  -1.6447311285
H   -1.1806286921   0.1390225263  -1.9188080682
H    1.3067363178   0.9926656971   2.2474213067
H   -0.7691273056   3.9545513483   0.2217912803
H   -1.9613561469   0.3351990462   0.8799985621
H   -3.7497183035  -2.9291016788  -1.2683317537
H   -4.1560845620   1.3837149538   1.1079121625
H   -5.9627789875  -1.8751098901  -1.0147581455
*