! 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  -5.1883465529   1.4852857209  -0.0867117915
F   -0.5972215126  -2.1182067075   1.4381987716
F   -2.5809321538  -2.8249517347   1.0143183178
F   -1.0623761536  -2.9290007005  -0.4990152026
O    2.2645879379   1.5120214806   1.3801848359
N    2.5651983366  -0.6755342187  -0.4712687718
N    0.3360400818  -0.4460790106  -0.8079876689
N    4.6696146237  -1.3322510336  -0.4138408560
C    1.3201995070  -0.2026254817  -0.0568757710
C    1.2814060177   0.5295140854   1.2709134920
C    2.0176683634   2.6663964173   0.5972356597
C   -0.9476880680   0.0233122254  -0.5649749333
C    3.1899912517   3.6138538099   0.7279335691
C   -1.9228561295  -0.7974782630   0.0145555666
C   -1.3152054411   1.2958331498  -0.9969193302
C   -3.2259328331  -0.3432437717   0.1638811468
C    2.8427535666  -1.2173327787  -1.7111169177
C    4.4968005909   3.0433328444   0.1971729337
C    3.7168443203  -0.7782237815   0.2656372772
C   -1.5456523389  -2.1675964036   0.4874664309
C   -2.6120068480   1.7519131011  -0.8491073248
C   -3.5612367336   0.9269763230  -0.2693011942
C    4.1384291654  -1.6052736068  -1.6523334430
H    1.4450188966  -0.1932278039   2.0750052064
H    0.2763975647   0.9405787638   1.4164431942
H    1.0922905410   3.1527428993   0.9319202749
H    1.8792007911   2.4020010070  -0.4611160489
H    2.9310127198   4.5213993536   0.1772369069
H    3.3030523245   3.9129532558   1.7738716791
H   -0.5748881698   1.9309292189  -1.4655399841
H   -3.9821770629  -0.9698302948   0.6153240563
H    2.1078263718  -1.2670338053  -2.4947920463
H    5.2940881356   3.7860105919   0.2458254698
H    4.8264305151   2.1763029085   0.7695602071
H    4.4004847201   2.7337942724  -0.8457147137
H    3.7955978274  -0.4430164788   1.2858142747
H   -2.8750693917   2.7441939810  -1.1894705954
H    4.7243146906  -2.0683529535  -2.4306383210
*