! 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  -4.4445110387   2.0615167063  -0.4482244636
F   -0.7619417586  -2.7046501218   0.3266592846
F    0.0670994781  -1.2887390545   1.7150630260
F   -2.0012633538  -1.8465343342   1.8546803490
O    1.1534228390   1.4687350027   0.4392918474
N    2.8701865782  -1.3571256610  -1.0342003069
N    0.6934953922  -0.7458982100  -1.1535626590
N    4.8726573732  -2.2763531940  -1.1300759543
C    1.8256912971  -0.5007561493  -0.6653921825
C    2.2149331347   0.5904986384   0.3020218491
C    1.1541822855   2.2193583191   1.6349033295
C   -0.4849564635  -0.0518259572  -0.9307582635
C   -0.1004031231   3.0654922426   1.6742645328
C   -1.3873238794  -0.4495399276   0.0615642703
C   -0.8565619912   0.9734994587  -1.7983822586
C   -2.6037422810   0.2053815507   0.2098582429
C    2.7644003343  -2.4403957194  -1.8818526296
C   -0.1675986921   3.9036904394   2.9413639431
C    4.1717005551  -1.3171115750  -0.6132919676
C   -1.0257172409  -1.5692902484   0.9847271715
C   -2.0642562279   1.6254622163  -1.6543300636
C   -2.9307070244   1.2422927284  -0.6421886923
C    4.0040574904  -2.9855167824  -1.9241493236
H    3.1145181872   1.0992178720  -0.0696719986
H    2.4950179650   0.1155486341   1.2533772567
H    2.0457911621   2.8593616405   1.6889696537
H    1.1875597117   1.5492235412   2.5051250172
H   -0.1263137367   3.7166093894   0.7966930275
H   -0.9755351235   2.4136674596   1.6088994314
H   -0.1797524470   1.2676132731  -2.5892490865
H   -3.2978142880  -0.0854653695   0.9857912368
H    1.8388704020  -2.7092627059  -2.3588274589
H   -0.1710230969   3.2793443171   3.8368375778
H    0.6813515964   4.5857643562   3.0176137838
H   -1.0743637792   4.5084219223   2.9623991656
H    4.5462543449  -0.5673571378   0.0647185090
H   -2.3246152546   2.4297147363  -2.3291208272
H    4.3247293159  -3.8501486788  -2.4834144612
*