! 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  -0.9848734743  -2.3810841053   2.5178444290
F    0.3430859895   0.8998548626  -0.0140419376
F    1.4285699972  -0.2039804254   1.4849464502
F    1.2565149248   1.9275373205   1.6342706224
F   -4.5759969880   1.2682497244   1.2120004287
F   -2.9447739129   2.4885038972   0.5309697710
F   -4.3317286482   1.6637350470  -0.8904026237
O    1.3066450747  -0.3227242601  -2.8693211742
N    1.7166191623  -1.7232498651  -1.1294032714
N   -1.5796008272  -1.3238205482  -1.2444037079
C   -0.1904057828  -3.1091970058  -0.4269175557
C    0.8381763529  -2.8078142880  -1.5100283077
C   -1.1213231863  -1.9593856095  -0.1741986133
C    2.8674234719   0.3775026639  -1.2322773130
C    1.8640840406  -0.5821491574  -1.8162690726
C    2.6839813162   1.0882174407  -0.0430423270
C   -1.5199496415  -1.5512383973   1.1005565823
C   -2.8057686776   0.1862508259   0.1149079119
C   -2.3628133329  -0.4681154168   1.2526968944
C    4.0216047369   0.5921252497  -1.9766037353
C    3.6631322493   1.9725812687   0.3945814617
C   -2.3871144283  -0.2865330463  -1.1190515238
C    1.4302675915   0.9283716227   0.7653172652
C    4.9985124794   1.4694519586  -1.5337570003
C    4.8203209838   2.1575503743  -0.3446236984
C   -3.6684117804   1.3997095296   0.2378083570
H   -0.7795468951  -3.9750638824  -0.7441244399
H    0.3192771491  -3.4106674278   0.4876934413
H    1.4318674327  -3.7065368865  -1.6867778579
H    0.3505948286  -2.5481581404  -2.4451442912
H    2.3122487384  -1.8793323968  -0.3313372701
H   -2.6591534215  -0.1474520797   2.2429787768
H    4.1622993662   0.0596833074  -2.9084790948
H    3.5321523985   2.5329239622   1.3097171787
H   -2.7117777283   0.1772482119  -2.0426560356
H    5.8941651024   1.6179530642  -2.1220139959
H    5.5744855468   2.8485357923   0.0067825735
*