! 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  -4.7067933847   1.8887727612   0.3501025449
F   -0.4562957550  -1.8596703045  -1.6826587824
F   -1.0840795472  -2.9708369769   0.0488724170
F   -2.5168203510  -2.4222336330  -1.4524766358
O    2.4842465010   1.5697792482  -0.5464641222
N    2.7438148153  -1.1260146225   0.4759051764
N    0.5367645180  -0.7609021805   0.8708398038
N    4.1134492807  -2.5391747826   1.4701436186
C    1.5535815993  -0.4600950346   0.1864100663
C    1.6067866204   0.5478875477  -0.9325803877
C    2.4877641030   2.6766575102  -1.4347111480
C   -0.6862996305  -0.1229543659   0.6985680875
C    1.3314299502   3.6346913367  -1.2027043669
C   -1.7073194292  -0.7026679219  -0.0630314991
C   -0.9381195757   1.0792437395   1.3543074039
C   -2.9434065771  -0.0803397716  -0.1704280577
C    3.9661515177  -1.0018938012  -0.1567576000
C    1.3023932716   4.2100050913   0.2045340422
C    2.9049988514  -2.0753171786   1.4507357148
C   -1.4464190301  -1.9898669993  -0.7828104688
C   -2.1679941198   1.7025835452   1.2496084920
C   -3.1639370655   1.1174323317   0.4859532862
C    4.7863132417  -1.8786164006   0.4699336361
H    0.5950373334   0.9175050622  -1.1214229308
H    1.9386439916   0.0525668932  -1.8558633230
H    2.4927031418   2.3301662774  -2.4760165403
H    3.4350799259   3.1930981830  -1.2637995417
H    1.4354675024   4.4424236470  -1.9323978478
H    0.3770949982   3.1510703530  -1.4316650647
H   -0.1623376964   1.5228179822   1.9638831007
H   -3.7340778683  -0.5171219478  -0.7640854305
H    4.1497316313  -0.3202708276  -0.9677120438
H    0.4752284660   4.9102127884   0.3261838920
H    1.1829118687   3.4320423161   0.9593206922
H    2.2247282833   4.7488651574   0.4318322305
H    2.0959828160  -2.3707797964   2.0983078330
H   -2.3418548597   2.6384705817   1.7628683324
H    5.8266988358  -2.0704096065   0.2602440060
*