! 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  -1.5680105638   0.7840399565  -3.1024945987
Cl  -3.2304368526   3.4760554586   1.2036188869
F    2.8093061539  -0.1489257588   1.6527400928
F    3.9324730463  -1.3629874828   0.2669719571
F    5.1082393398   1.0118016200   0.8394180795
F    3.3530398562   2.0941350662   0.1195799912
O    2.1307384572  -0.2644621185  -0.4695962576
N   -1.5501655242  -2.6575160867  -0.1115471435
N   -0.8788399759  -3.3537502825   0.8088158765
N   -2.9476762866  -2.9002475472   1.5296154397
C    0.0027481097  -1.0287930105  -1.1801905339
C   -0.9275538270  -2.2406354157  -1.3436791567
C    1.2656940281  -1.4080332082  -0.4262765732
C   -0.7528199799   0.1354038013  -0.5877865227
C   -1.5195898853   0.9894262653  -1.3800105927
C   -0.7894701803   0.3598357787   0.7861434855
C    3.1813448827  -0.2346887614   0.3499809343
C   -2.2800573140   2.0189866227  -0.8479640708
C   -1.5404812542   1.3765061878   1.3509919488
C   -2.7794963807  -2.3882799854   0.3344396031
C   -2.2817404528   2.2011833682   0.5234424186
C    4.0665436776   0.9556516357  -0.0193589960
C   -1.7555368653  -3.4778480212   1.7731411436
H    0.3160528981  -0.7746211297  -2.1960641855
H   -1.7224690774  -1.9989551466  -2.0474746706
H   -0.3794831704  -3.0868707292  -1.7577287789
H    1.0680252105  -1.7160644993   0.6007499240
H    1.7414515785  -2.2474230675  -0.9374482752
H   -0.2247433697  -0.2737539530   1.4567702765
H   -2.8613134102   2.6623542510  -1.4938812296
H   -1.5440744488   1.5163280918   2.4228872658
H   -3.5058655651  -1.8333485178  -0.2389081010
H    4.4402839609   0.8800958269  -1.0414442210
H   -1.5284195178  -4.0090007422   2.6844376124
*