! 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  -3.3399604322  -2.6789733370   1.9846354601
F    5.6077133541  -0.9105327659   0.1120819592
F    4.3019044446  -0.9402794029  -1.6019110592
F    5.9161212535   0.4682915664  -1.5005767785
F   -6.0747288370   1.1845200341  -0.3333363610
F   -4.6792950925   2.6367185069   0.4156115786
F   -4.7255407692   2.1795086793  -1.6843539462
O    2.8114916336  -1.8323884929   0.7823283303
N    1.1296086406  -1.0005896651  -0.4905803907
N   -1.6662912999  -0.3431566480  -0.7127248761
C   -0.7850327567  -2.3540062637   0.3292072557
C    0.3742961198  -2.2210672543  -0.6468435324
C   -1.8669543376  -1.3310652216   0.1490211146
C    2.7861839310   0.5022903362   0.3270838101
C    2.2553837030  -0.8993765725   0.2236902153
C    4.0667485290   0.8623770435  -0.1004822424
C   -3.0695375143  -1.4010951007   0.8588884676
C   -3.8130830273   0.5619996297  -0.2482804454
C   -4.0540819743  -0.4556889361   0.6632572895
C    1.9785788841   1.4590402004   0.9300894233
C    4.5156205907   2.1636602493   0.0841751415
C   -2.5972249439   0.5771919761  -0.9104183388
C    4.9702530737  -0.1327662469  -0.7693231044
C    2.4354585138   2.7539273383   1.1246446671
C    3.7053570874   3.1055672678   0.7008058887
C   -4.8256455631   1.6396576784  -0.4671600043
H   -1.2135158705  -3.3536845251   0.2164267919
H   -0.4125907735  -2.3098525461   1.3575655190
H    1.0442435572  -3.0677587812  -0.5087121334
H    0.0114974068  -2.2682339804  -1.6735931335
H    0.7332152775  -0.1714665582  -0.9048158768
H   -4.9847271368  -0.5208516350   1.2111992314
H    0.9860682564   1.1879007130   1.2677383088
H    5.4990446676   2.4622896675  -0.2514107928
H   -2.3541952922   1.3492028229  -1.6301835768
H    1.7967218497   3.4833658757   1.6044297205
H    4.0705361739   4.1136472229   0.8424283128
*