! 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  -4.6374607415   1.9179732506  -0.4369718495
F   -0.9331861962  -2.8430513616   0.0306456237
F   -0.2112062681  -1.6343288084   1.6539337696
F   -2.2797510482  -2.2022686243   1.5756613035
O    0.8273017586   1.2032284357   1.0509889950
N    2.8261702763  -1.1878596812  -0.7976578619
N    0.6330807550  -0.6632865755  -0.9994006001
N    4.8900764733  -1.9588379630  -0.8970169713
C    1.7165428193  -0.4250865772  -0.4089469677
C    2.0041150153   0.5786616250   0.6779617343
C    0.9601223744   2.1013931659   2.1349149746
C   -0.5815314241  -0.0256870723  -0.8009725208
C    1.6118495615   3.4217697419   1.7604214123
C   -1.5597057904  -0.5744880032   0.0346706517
C   -0.8985970026   1.1040257825  -1.5508807328
C   -2.8051576421   0.0284751089   0.1480397409
C    2.8256894988  -2.1883376930  -1.7471149455
C    0.8797148081   4.1573375957   0.6491828626
C    4.1064893873  -1.1011625719  -0.3231808321
C   -1.2483394785  -1.8086323803   0.8213575057
C   -2.1369276151   1.7054928295  -1.4421854782
C   -3.0831212249   1.1667001759  -0.5855081124
C    4.1009495253  -2.6448844655  -1.7880189756
H    2.7580154326   1.2802133811   0.2919450923
H    2.4701567321   0.0532431286   1.5244345570
H    1.5112454278   1.6273229886   2.9586424723
H   -0.0572818283   2.2809344511   2.4897015004
H    1.6290977488   4.0354603891   2.6654568323
H    2.6605426141   3.2722513219   1.4862704323
H   -0.1593838227   1.5180794908  -2.2233439228
H   -3.5613047456  -0.3806639300   0.8031371075
H    1.9379594356  -2.4715770523  -2.2839286972
H   -0.1605126413   4.3494549747   0.9199480796
H    1.3480163744   5.1200506993   0.4401959398
H    0.8734083698   3.5862335539  -0.2797962770
H    4.4041678767  -0.3955138894   0.4357341403
H   -2.3575303271   2.5902654057  -2.0238509317
H    4.4989058361  -3.4314293548  -2.4094926371
*